smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(CN2CC[C@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164766555 721069902 /nfs/dbraw/zinc/06/99/02/721069902.db2.gz KUGYLIRIJBNNLI-HOTGVXAUSA-N 0 3 356.861 2.298 20 30 FEEDHN N#Cc1cc(Cl)cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865717 721076562 /nfs/dbraw/zinc/07/65/62/721076562.db2.gz OUXJGDNWONJHOG-ZWKOTPCHSA-N 0 3 369.856 2.481 20 30 FEEDHN Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1C#N ZINC001164973148 722129616 /nfs/dbraw/zinc/12/96/16/722129616.db2.gz BARRXMNAXZPOGE-VQTJNVASSA-N 0 3 363.465 2.384 20 30 FEEDHN CC(C)(CNC(=O)CNc1ccc(C#N)cn1)N1CCc2ccccc2C1 ZINC000497636504 887650232 /nfs/dbraw/zinc/65/02/32/887650232.db2.gz HBRVBPRMSLACAM-UHFFFAOYSA-N 0 3 363.465 2.318 20 30 FEEDHN CCc1ccc([C@@H](CNC(=O)CNc2ccc(C#N)cn2)N(C)C)cc1 ZINC000498068334 889379537 /nfs/dbraw/zinc/37/95/37/889379537.db2.gz YVTQOCIQYKVOBG-GOSISDBHSA-N 0 3 351.454 2.347 20 30 FEEDHN CCCCN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000025911850 539772747 /nfs/dbraw/zinc/77/27/47/539772747.db2.gz AHGKMZMKKDUOEZ-UHFFFAOYSA-N 0 3 371.441 2.187 20 30 FEEDHN CN(CCC(=O)N1CCN(c2ccccn2)CC1)Cc1cccc(C#N)c1 ZINC000026331415 539783967 /nfs/dbraw/zinc/78/39/67/539783967.db2.gz KZFRCSZOVVOFQR-UHFFFAOYSA-N 0 3 363.465 2.124 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(-c2ccccc2)nn1 ZINC000044566204 540131221 /nfs/dbraw/zinc/13/12/21/540131221.db2.gz HHYIBNSPQXBCIB-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000046382098 540254705 /nfs/dbraw/zinc/25/47/05/540254705.db2.gz UADBZADUXNWYGV-SFHVURJKSA-N 0 3 369.513 2.117 20 30 FEEDHN Cc1ccccc1CN1CCCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000054989375 540620642 /nfs/dbraw/zinc/62/06/42/540620642.db2.gz LWLFZBLKTJUXGH-UHFFFAOYSA-N 0 3 367.497 2.159 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000057667232 540806369 /nfs/dbraw/zinc/80/63/69/540806369.db2.gz NHPZHSOUEHCKCG-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N(C)C1CC1 ZINC000076301085 542258521 /nfs/dbraw/zinc/25/85/21/542258521.db2.gz WLOXXJOFBOJKSC-SNVBAGLBSA-N 0 3 368.359 2.114 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541097777 541150569 /nfs/dbraw/zinc/15/05/69/541150569.db2.gz DXYNFKWJZGQOBM-AWEZNQCLSA-N 0 3 356.405 2.346 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccnc1-n1cncn1)C(C)C ZINC000066669278 541357414 /nfs/dbraw/zinc/35/74/14/541357414.db2.gz OSHWRZOUBBQMNB-KRWDZBQOSA-N 0 3 369.473 2.482 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCN1C ZINC000542960256 541508936 /nfs/dbraw/zinc/50/89/36/541508936.db2.gz VPSHLDPLGSQGSM-OCCSQVGLSA-N 0 3 356.405 2.487 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000069121726 541659424 /nfs/dbraw/zinc/65/94/24/541659424.db2.gz MIFVDYYYVNZBIL-SFHVURJKSA-N 0 3 364.449 2.094 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2)c1 ZINC000069553921 541696547 /nfs/dbraw/zinc/69/65/47/541696547.db2.gz ABJUSRPASQDTEE-KRWDZBQOSA-N 0 3 354.454 2.410 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000070880843 541748263 /nfs/dbraw/zinc/74/82/63/541748263.db2.gz VDMUJVCUGNJWFP-UHFFFAOYSA-N 0 3 358.486 2.177 20 30 FEEDHN CN(C)C(=O)C(C)(C)NCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000074286421 542063477 /nfs/dbraw/zinc/06/34/77/542063477.db2.gz ATSYODBZLCVVTC-UHFFFAOYSA-N 0 3 362.499 2.284 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000074494195 542089825 /nfs/dbraw/zinc/08/98/25/542089825.db2.gz BKIGFOQDRRTHLP-GOSISDBHSA-N 0 3 355.486 2.264 20 30 FEEDHN Cc1ccn2ncc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2n1 ZINC000074596033 542101820 /nfs/dbraw/zinc/10/18/20/542101820.db2.gz GMYKUMZREADZTP-UHFFFAOYSA-N 0 3 362.437 2.113 20 30 FEEDHN CN(C)Cc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000076129803 542235972 /nfs/dbraw/zinc/23/59/72/542235972.db2.gz UUAMDLBUIIZICR-UHFFFAOYSA-N 0 3 364.453 2.369 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2OC)CC1 ZINC000076526450 542288798 /nfs/dbraw/zinc/28/87/98/542288798.db2.gz UZWDGJOBHJYJER-UHFFFAOYSA-N 0 3 351.834 2.054 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1c(C)cc(C)[nH]c1=O)C(C)C ZINC000078982583 542492236 /nfs/dbraw/zinc/49/22/36/542492236.db2.gz TUDCKZIUBMTBCV-SFHVURJKSA-N 0 3 360.502 2.490 20 30 FEEDHN C#CCNC(=O)CN[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801951221 674156391 /nfs/dbraw/zinc/15/63/91/674156391.db2.gz SMGYKSBZRVLPRD-WMZOPIPTSA-N 0 3 351.853 2.342 20 30 FEEDHN CCN1CCN(CCCCNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000079527650 542523921 /nfs/dbraw/zinc/52/39/21/542523921.db2.gz IMOGLEUEXBKPDP-UHFFFAOYSA-N 0 3 360.527 2.450 20 30 FEEDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000081626517 542669486 /nfs/dbraw/zinc/66/94/86/542669486.db2.gz SPSOGASDDGKJRN-ZWKOTPCHSA-N 0 3 371.481 2.394 20 30 FEEDHN C=CCOc1cccc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000102047002 543056296 /nfs/dbraw/zinc/05/62/96/543056296.db2.gz HHJXUBKBMQXZRP-GOSISDBHSA-N 0 3 374.485 2.316 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](NC(N)=O)c2ccccc2C)CC1 ZINC000106036746 543186127 /nfs/dbraw/zinc/18/61/27/543186127.db2.gz VBEIHIIEAHMOFS-GOSISDBHSA-N 0 3 358.486 2.251 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCCNC(=O)c2cccs2)CC1 ZINC000106275438 543221743 /nfs/dbraw/zinc/22/17/43/543221743.db2.gz GJSURSYMLLDUMT-UHFFFAOYSA-N 0 3 364.515 2.208 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000106290949 543221796 /nfs/dbraw/zinc/22/17/96/543221796.db2.gz NANNPDLEQJJFRZ-UHFFFAOYSA-N 0 3 370.541 2.204 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000106338789 543224244 /nfs/dbraw/zinc/22/42/44/543224244.db2.gz GSXJLXLJHVXQOC-KRWDZBQOSA-N 0 3 359.470 2.338 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-n3cnnn3)c(C)c2)CC1 ZINC000106319684 543222940 /nfs/dbraw/zinc/22/29/40/543222940.db2.gz QPXJWEDKBMBWAC-UHFFFAOYSA-N 0 3 355.446 2.133 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H]2c3ccccc3NC2=O)CC1 ZINC000106329015 543223573 /nfs/dbraw/zinc/22/35/73/543223573.db2.gz PARGMPDYBCKNEP-QGZVFWFLSA-N 0 3 356.470 2.452 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H]2c3ccccc3NC2=O)CC1 ZINC000106329016 543223675 /nfs/dbraw/zinc/22/36/75/543223675.db2.gz PARGMPDYBCKNEP-KRWDZBQOSA-N 0 3 356.470 2.452 20 30 FEEDHN CC1CCN([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000106334405 543223986 /nfs/dbraw/zinc/22/39/86/543223986.db2.gz OHLITNYIWHTRMY-OALUTQOASA-N 0 3 356.470 2.394 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3nc(C)oc3c2)CC1 ZINC000106349321 543224715 /nfs/dbraw/zinc/22/47/15/543224715.db2.gz LOPTXHGOOMZZDO-UHFFFAOYSA-N 0 3 356.426 2.231 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NC2CCN(CC(=C)C)CC2)c1 ZINC000106348902 543224768 /nfs/dbraw/zinc/22/47/68/543224768.db2.gz DFDRSKCJUDLGST-UHFFFAOYSA-N 0 3 357.454 2.347 20 30 FEEDHN CN1CCC[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109399729 543324010 /nfs/dbraw/zinc/32/40/10/543324010.db2.gz BPVFMFZLHWTPIT-IAGOWNOFSA-N 0 3 373.476 2.307 20 30 FEEDHN C=CC1CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000111257172 543390261 /nfs/dbraw/zinc/39/02/61/543390261.db2.gz DXVJQOZJPKHBTF-UHFFFAOYSA-N 0 3 356.470 2.261 20 30 FEEDHN C[C@@H](Nc1ccc(CCN2CCSCC2)cc1)C(=O)N(C)CCC#N ZINC000112537950 543450883 /nfs/dbraw/zinc/45/08/83/543450883.db2.gz IDPAMULRNVJAJQ-MRXNPFEDSA-N 0 3 360.527 2.450 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000112636571 543454886 /nfs/dbraw/zinc/45/48/86/543454886.db2.gz OEUWDKCKGKRIJO-QUCCMNQESA-N 0 3 355.482 2.363 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000112636565 543455131 /nfs/dbraw/zinc/45/51/31/543455131.db2.gz OEUWDKCKGKRIJO-UYAOXDASSA-N 0 3 355.482 2.363 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc2ccc(C)cn2c1=O)C(C)C ZINC000112919824 543468360 /nfs/dbraw/zinc/46/83/60/543468360.db2.gz JHQKPKUMUNSOLE-SFHVURJKSA-N 0 3 368.481 2.431 20 30 FEEDHN CC(C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000114685798 543529933 /nfs/dbraw/zinc/52/99/33/543529933.db2.gz BKUQOVCJPKBNPP-KSSFIOAISA-N 0 3 372.446 2.380 20 30 FEEDHN CCN(CC)CCNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000118094827 543644607 /nfs/dbraw/zinc/64/46/07/543644607.db2.gz JDALDDHXRGMMEB-CQSZACIVSA-N 0 3 362.499 2.477 20 30 FEEDHN C#CCSCCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000121454896 543695107 /nfs/dbraw/zinc/69/51/07/543695107.db2.gz CJGNGYHPEZDCRW-UHFFFAOYSA-N 0 3 360.527 2.096 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CN1C1CC1 ZINC000127556169 544000225 /nfs/dbraw/zinc/00/02/25/544000225.db2.gz RYAOOKPUEPAEAE-LSDHHAIUSA-N 0 3 371.460 2.154 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)ccc1Cl ZINC000146232348 544438444 /nfs/dbraw/zinc/43/84/44/544438444.db2.gz HUDMGCNJAAKMOT-AWEZNQCLSA-N 0 3 353.875 2.461 20 30 FEEDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000152888583 544707176 /nfs/dbraw/zinc/70/71/76/544707176.db2.gz BANWSNUAZPTAGN-DOMZBBRYSA-N 0 3 353.875 2.316 20 30 FEEDHN N#Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1Cl ZINC000553082285 674237802 /nfs/dbraw/zinc/23/78/02/674237802.db2.gz YHXSJBYLGPTDTP-DLBZAZTESA-N 0 3 356.857 2.902 20 30 FEEDHN N#Cc1c(F)cccc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000187584797 328034510 /nfs/dbraw/zinc/03/45/10/328034510.db2.gz AINRDODDPXVMPX-INIZCTEOSA-N 0 3 353.397 2.194 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(C(C)(C)C)nn1 ZINC000188884305 328115769 /nfs/dbraw/zinc/11/57/69/328115769.db2.gz YENVLECZUQCRQR-UHFFFAOYSA-N 0 3 354.458 2.109 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCCC[C@@H]3C)CC2)o1 ZINC000192846641 328343257 /nfs/dbraw/zinc/34/32/57/328343257.db2.gz FGGVTZAXEBVCQR-YOEHRIQHSA-N 0 3 359.474 2.014 20 30 FEEDHN COC[C@@](C)(CCO)NCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000079928934 325110432 /nfs/dbraw/zinc/11/04/32/325110432.db2.gz NBLRMJQZHNFMHZ-GOSISDBHSA-N 0 3 365.499 2.204 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289770 325167514 /nfs/dbraw/zinc/16/75/14/325167514.db2.gz VEPYDNIFAJOGBG-KRWDZBQOSA-N 0 3 370.497 2.177 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081289770 325167519 /nfs/dbraw/zinc/16/75/19/325167519.db2.gz VEPYDNIFAJOGBG-KRWDZBQOSA-N 0 3 370.497 2.177 20 30 FEEDHN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089943647 325343718 /nfs/dbraw/zinc/34/37/18/325343718.db2.gz IMVHFZRWODXVFE-KRWDZBQOSA-N 0 3 370.457 2.154 20 30 FEEDHN Cc1cccc(NC(=O)[C@@H](C)N(C)CCCc2[nH]nc(N)c2C#N)c1C ZINC000089942463 325344020 /nfs/dbraw/zinc/34/40/20/325344020.db2.gz ZEXXUJNCUIHHQH-CQSZACIVSA-N 0 3 354.458 2.372 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092423698 325415083 /nfs/dbraw/zinc/41/50/83/325415083.db2.gz LVYGDRZPUIXWRC-ADKAHSJRSA-N 0 3 371.485 2.379 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000097258588 325460290 /nfs/dbraw/zinc/46/02/90/325460290.db2.gz DPRHNKYEJYBFLD-OAHLLOKOSA-N 0 3 372.469 2.275 20 30 FEEDHN CCC[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CCN1CCOC ZINC000121706711 326360034 /nfs/dbraw/zinc/36/00/34/326360034.db2.gz MWVGVRZARTUYNL-MRXNPFEDSA-N 0 3 364.515 2.381 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000122438257 326396819 /nfs/dbraw/zinc/39/68/19/326396819.db2.gz BTOPUOIAJNHKPN-BBRMVZONSA-N 0 3 353.875 2.316 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)/C=C/c2cccc(C#N)c2)ccn1 ZINC000124112173 326447808 /nfs/dbraw/zinc/44/78/08/326447808.db2.gz XBEZNFOKXHADJB-VOTSOKGWSA-N 0 3 350.422 2.223 20 30 FEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000158333670 326892483 /nfs/dbraw/zinc/89/24/83/326892483.db2.gz WEPCVMRGPQUMCF-IEBWSBKVSA-N 0 3 371.481 2.429 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000162996357 327040028 /nfs/dbraw/zinc/04/00/28/327040028.db2.gz KWBPTZWCILVFAH-AEFFLSMTSA-N 0 3 369.465 2.421 20 30 FEEDHN CN(C)CCOc1ccc(CCNC(=O)COc2ccccc2C#N)cc1 ZINC000264173151 328997056 /nfs/dbraw/zinc/99/70/56/328997056.db2.gz CRNIYPOFWOFTAZ-UHFFFAOYSA-N 0 3 367.449 2.236 20 30 FEEDHN N#Cc1ccc(N2CCC(N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000265118100 329092806 /nfs/dbraw/zinc/09/28/06/329092806.db2.gz CQGIVTGWVNFWNB-MRXNPFEDSA-N 0 3 366.387 2.280 20 30 FEEDHN C[C@]1(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCO[C@H]1C1CC1 ZINC000273007841 329829559 /nfs/dbraw/zinc/82/95/59/329829559.db2.gz BKWVOFHEESNCLC-ICSRJNTNSA-N 0 3 365.437 2.230 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H](C)[C@H](C)CO)c1C#N ZINC000273951470 329905027 /nfs/dbraw/zinc/90/50/27/329905027.db2.gz FMWLIFHUQLFJRC-TZMCWYRMSA-N 0 3 358.442 2.163 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000294190295 330191292 /nfs/dbraw/zinc/19/12/92/330191292.db2.gz PLYRIODDGSWDSL-HXUWFJFHSA-N 0 3 356.470 2.153 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000294190295 330191294 /nfs/dbraw/zinc/19/12/94/330191294.db2.gz PLYRIODDGSWDSL-HXUWFJFHSA-N 0 3 356.470 2.153 20 30 FEEDHN CCOC(=O)[C@@H](CCOC)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000367195291 330228583 /nfs/dbraw/zinc/22/85/83/330228583.db2.gz MHMDBDBLKXBJSC-LJQANCHMSA-N 0 3 359.470 2.080 20 30 FEEDHN CC[C@@](C)(NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(N)=O ZINC000411382649 330256494 /nfs/dbraw/zinc/25/64/94/330256494.db2.gz CSDMJBNVYLOCMO-ADLMAVQZSA-N 0 3 362.499 2.317 20 30 FEEDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000554912896 674341109 /nfs/dbraw/zinc/34/11/09/674341109.db2.gz OCHOFBJFFMDPNK-NSHDSACASA-N 0 3 374.304 2.328 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000156791065 545661208 /nfs/dbraw/zinc/66/12/08/545661208.db2.gz JWYBVGAUBCZPHM-SFHVURJKSA-N 0 3 361.511 2.140 20 30 FEEDHN N#Cc1ccc(OCC(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc1 ZINC000159588248 545965319 /nfs/dbraw/zinc/96/53/19/545965319.db2.gz PAMQMIYZMYQXPE-IBGZPJMESA-N 0 3 357.454 2.040 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160676031 546062636 /nfs/dbraw/zinc/06/26/36/546062636.db2.gz HZTUFZJQPYFIEI-MOPGFXCFSA-N 0 3 358.486 2.423 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3ncsc3c2)CC1 ZINC000171621133 546216246 /nfs/dbraw/zinc/21/62/46/546216246.db2.gz RMUALJKVQDNMQM-UHFFFAOYSA-N 0 3 358.467 2.392 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C)c(OC)c2C)CC1 ZINC000171621215 546216376 /nfs/dbraw/zinc/21/63/76/546216376.db2.gz UWSKKQCHOCUARN-UHFFFAOYSA-N 0 3 359.470 2.407 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000171717418 546220475 /nfs/dbraw/zinc/22/04/75/546220475.db2.gz XZXPICXTHDLFHO-UHFFFAOYSA-N 0 3 355.398 2.161 20 30 FEEDHN C=CCN1CCC(NC(=O)Cc2csc(NC(=O)C(C)C)n2)CC1 ZINC000171718035 546220952 /nfs/dbraw/zinc/22/09/52/546220952.db2.gz HSRCMIKGQDMEPE-UHFFFAOYSA-N 0 3 350.488 2.047 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)CC1 ZINC000173271746 546277140 /nfs/dbraw/zinc/27/71/40/546277140.db2.gz WFZJOLHOFUJWOU-UHFFFAOYSA-N 0 3 371.359 2.132 20 30 FEEDHN C#CCCCNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000174086924 546291573 /nfs/dbraw/zinc/29/15/73/546291573.db2.gz XNEDRLTXYOYTHW-IBGZPJMESA-N 0 3 369.513 2.039 20 30 FEEDHN C[C@H]1CN(CCC2CCN(S(=O)(=O)CCCCC#N)CC2)C[C@H](C)O1 ZINC000175664941 546330356 /nfs/dbraw/zinc/33/03/56/546330356.db2.gz YWIJOKUWEZOMKG-IRXDYDNUSA-N 0 3 371.547 2.221 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175967702 546382154 /nfs/dbraw/zinc/38/21/54/546382154.db2.gz MQKVWJSUXKPLLE-CYBMUJFWSA-N 0 3 360.433 2.263 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2nccn2CCCc2ccccc2)CC1 ZINC000176509908 546455519 /nfs/dbraw/zinc/45/55/19/546455519.db2.gz MJNPBPOXKQITAY-UHFFFAOYSA-N 0 3 364.493 2.477 20 30 FEEDHN CC(C)(CNS(=O)(=O)Cc1cc(C#N)ccc1F)CN1CCCC1 ZINC000480761566 561216209 /nfs/dbraw/zinc/21/62/09/561216209.db2.gz SVBIECSTYICUAF-UHFFFAOYSA-N 0 3 353.463 2.239 20 30 FEEDHN Cn1cc(CNCCn2c3ccccc3[nH]c2=O)c(-c2ccc(C#N)cc2)n1 ZINC000180282057 547078268 /nfs/dbraw/zinc/07/82/68/547078268.db2.gz HALJKFXGQDPEGL-UHFFFAOYSA-N 0 3 372.432 2.392 20 30 FEEDHN C#CCOc1ccc(CNCCOc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000180350930 547089166 /nfs/dbraw/zinc/08/91/66/547089166.db2.gz NTQWZXKPDWLVFW-UHFFFAOYSA-N 0 3 374.462 2.239 20 30 FEEDHN N#Cc1ccc(CN2CCN(C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000181138319 547256720 /nfs/dbraw/zinc/25/67/20/547256720.db2.gz QYEGFQRRYAMPMY-OAHLLOKOSA-N 0 3 364.287 2.475 20 30 FEEDHN CN(C)CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000181504458 547324440 /nfs/dbraw/zinc/32/44/40/547324440.db2.gz IRIVWRZZOVYMEK-UHFFFAOYSA-N 0 3 362.484 2.385 20 30 FEEDHN CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)N1CCCC1 ZINC000181737388 547370333 /nfs/dbraw/zinc/37/03/33/547370333.db2.gz XOAUGTNUVVLEPT-WBVHZDCISA-N 0 3 372.469 2.153 20 30 FEEDHN C=C(C)COc1cc(CNC[C@H]2CC[C@@H](C(=O)N(C)C)O2)ccc1OC ZINC000182041234 547427634 /nfs/dbraw/zinc/42/76/34/547427634.db2.gz VKGRVEYKBFLFNH-AEFFLSMTSA-N 0 3 362.470 2.376 20 30 FEEDHN CC[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000182843676 547560780 /nfs/dbraw/zinc/56/07/80/547560780.db2.gz SYBPTQYLERBKEK-LPHOPBHVSA-N 0 3 358.461 2.266 20 30 FEEDHN COCC1(C#N)CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000484297405 561295702 /nfs/dbraw/zinc/29/57/02/561295702.db2.gz QGNQIYXVUVWCPT-GOSISDBHSA-N 0 3 358.486 2.121 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CCOC[C@H]1OCC ZINC000484637703 561301850 /nfs/dbraw/zinc/30/18/50/561301850.db2.gz HLCMEAYGDVXETF-BHYGNILZSA-N 0 3 352.500 2.435 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184602379 547851949 /nfs/dbraw/zinc/85/19/49/547851949.db2.gz ATFZXXZBFSYSOJ-HUUCEWRRSA-N 0 3 367.457 2.381 20 30 FEEDHN C[C@H]1C[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1C ZINC000184641997 547860115 /nfs/dbraw/zinc/86/01/15/547860115.db2.gz PNFGYQVMZUAEEG-XJKSGUPXSA-N 0 3 353.430 2.085 20 30 FEEDHN CCN(CCO)CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000185416390 547982009 /nfs/dbraw/zinc/98/20/09/547982009.db2.gz BHOXRBZGCJABED-AWEZNQCLSA-N 0 3 350.488 2.374 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000185786173 548035427 /nfs/dbraw/zinc/03/54/27/548035427.db2.gz VRNRPQKIEZUNQR-OAHLLOKOSA-N 0 3 351.472 2.062 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](O)Cc1ccccc1 ZINC000485791371 561328159 /nfs/dbraw/zinc/32/81/59/561328159.db2.gz SNPWFBNQJOVEHE-OAQYLSRUSA-N 0 3 365.477 2.442 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)Nc2ccn(CCN(C)C)n2)cc1 ZINC000186569242 548153677 /nfs/dbraw/zinc/15/36/77/548153677.db2.gz SPLIATWWWAEZHS-UHFFFAOYSA-N 0 3 356.430 2.005 20 30 FEEDHN C#CCOc1ccccc1NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000188036333 548269841 /nfs/dbraw/zinc/26/98/41/548269841.db2.gz VVQUMLJOFBKQOS-QGZVFWFLSA-N 0 3 358.486 2.094 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000188242047 548275249 /nfs/dbraw/zinc/27/52/49/548275249.db2.gz SYLYULBYSKTMSU-OAQYLSRUSA-N 0 3 360.498 2.488 20 30 FEEDHN COC(=O)[C@@](C)(CN[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000189947187 548313850 /nfs/dbraw/zinc/31/38/50/548313850.db2.gz COGQYQFNTKGHDX-UZLBHIALSA-N 0 3 371.481 2.438 20 30 FEEDHN CCN(CC)CCN(CCOC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192614795 548367915 /nfs/dbraw/zinc/36/79/15/548367915.db2.gz YGZFFGVQJKGIFK-FQEVSTJZSA-N 0 3 372.513 2.344 20 30 FEEDHN CC(C)(C)[C@@H](CO)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000193100762 548380462 /nfs/dbraw/zinc/38/04/62/548380462.db2.gz XLONTJLOGQLLCB-OAHLLOKOSA-N 0 3 356.388 2.170 20 30 FEEDHN C[C@H](C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000486560350 561350814 /nfs/dbraw/zinc/35/08/14/561350814.db2.gz NWCDWHKCJFVKEL-HTAPYJJXSA-N 0 3 363.461 2.415 20 30 FEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245461574 548927226 /nfs/dbraw/zinc/92/72/26/548927226.db2.gz NDDBCTJFSKVDER-GPMSIDNRSA-N 0 3 358.461 2.407 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000488083218 561383035 /nfs/dbraw/zinc/38/30/35/561383035.db2.gz ZHQGUPMMKLBXMX-UHFFFAOYSA-N 0 3 365.481 2.405 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000246625250 549178059 /nfs/dbraw/zinc/17/80/59/549178059.db2.gz NPPCDYAULFLIFR-FPOVZHCZSA-N 0 3 374.525 2.199 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@@](C(=O)OC)(c3ccccc3)C2)CC1 ZINC000488808334 561397562 /nfs/dbraw/zinc/39/75/62/561397562.db2.gz YXVGCEFTERYFSP-NRFANRHFSA-N 0 3 371.481 2.163 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000249174467 549564788 /nfs/dbraw/zinc/56/47/88/549564788.db2.gz LVVLVMOIDJRBGH-RHSMWYFYSA-N 0 3 372.469 2.083 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000253358712 549683775 /nfs/dbraw/zinc/68/37/75/549683775.db2.gz RCMSJRODERWVFN-HUUCEWRRSA-N 0 3 372.469 2.132 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(N(C)C(C)=O)CC1)C(C)C ZINC000263669892 549916634 /nfs/dbraw/zinc/91/66/34/549916634.db2.gz HAMIIHHWPCIQMJ-IBGZPJMESA-N 0 3 364.534 2.337 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H](C(=O)OC)C2)c(OC)c1 ZINC000263880456 549950382 /nfs/dbraw/zinc/95/03/82/549950382.db2.gz LLRPPUWNRZEXAI-IRXDYDNUSA-N 0 3 363.454 2.048 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000264370872 549995243 /nfs/dbraw/zinc/99/52/43/549995243.db2.gz QXQPEFOIMPBQEP-CQSZACIVSA-N 0 3 356.470 2.216 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000264367361 549995478 /nfs/dbraw/zinc/99/54/78/549995478.db2.gz QFZHZOJHLIFZOS-UHFFFAOYSA-N 0 3 370.497 2.241 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)N(C)C ZINC000264515739 549997470 /nfs/dbraw/zinc/99/74/70/549997470.db2.gz AAWCMYWOLKJPID-ZDUSSCGKSA-N 0 3 362.499 2.476 20 30 FEEDHN COc1cc(CNCCNC(=O)C2N=CC=CC2=O)ccc1OC(C)C ZINC000264947808 550004477 /nfs/dbraw/zinc/00/44/77/550004477.db2.gz JNBIAGDKVCPCFG-HNENSFHCSA-N 0 3 359.426 2.098 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H](O)CCc1ccccc1 ZINC000491570428 561446580 /nfs/dbraw/zinc/44/65/80/561446580.db2.gz PJEHBCZNVWICTC-OAQYLSRUSA-N 0 3 365.477 2.442 20 30 FEEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000269658318 550214905 /nfs/dbraw/zinc/21/49/05/550214905.db2.gz KLHYGMFRQQDUBZ-HNNXBMFYSA-N 0 3 353.875 2.461 20 30 FEEDHN C=C[C@@H](CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000270322858 550261770 /nfs/dbraw/zinc/26/17/70/550261770.db2.gz VFOQHZMTTYJBDS-PKOBYXMFSA-N 0 3 357.498 2.405 20 30 FEEDHN CN(Cc1ccccc1)CC(C)(C)NCC(=O)N(CCC#N)CCC#N ZINC000270411256 550269983 /nfs/dbraw/zinc/26/99/83/550269983.db2.gz DUGSHLKUABFECU-UHFFFAOYSA-N 0 3 355.486 2.143 20 30 FEEDHN N#CCc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000270871081 550315828 /nfs/dbraw/zinc/31/58/28/550315828.db2.gz ODHIQTHIZRYQQP-NHCUHLMSSA-N 0 3 363.461 2.365 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000273241878 550491210 /nfs/dbraw/zinc/49/12/10/550491210.db2.gz WVWOHXFBYCNBCQ-NVXWUHKLSA-N 0 3 358.442 2.141 20 30 FEEDHN CN(C)C1(C#N)CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000275009373 550570032 /nfs/dbraw/zinc/57/00/32/550570032.db2.gz DWZXJZWESUEBGL-ROUUACIJSA-N 0 3 355.486 2.061 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)NCCCN2CCCO[C@H](C)C2)cc1 ZINC000277582791 550687557 /nfs/dbraw/zinc/68/75/57/550687557.db2.gz UDRDBGFKIHGDBZ-MRXNPFEDSA-N 0 3 374.485 2.225 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000277664803 550698639 /nfs/dbraw/zinc/69/86/39/550698639.db2.gz GVIOLDFBYVCSCD-SFHVURJKSA-N 0 3 371.481 2.412 20 30 FEEDHN CC[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000278367429 550778009 /nfs/dbraw/zinc/77/80/09/550778009.db2.gz BWVHSCWTJHQWGQ-JKSUJKDBSA-N 0 3 364.492 2.495 20 30 FEEDHN C#CCC(CC#C)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000278903142 550834218 /nfs/dbraw/zinc/83/42/18/550834218.db2.gz PWTGHTHBYCBCBU-UHFFFAOYSA-N 0 3 351.494 2.103 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000279016873 550847187 /nfs/dbraw/zinc/84/71/87/550847187.db2.gz IEDZQQSBBKUWNE-WOJBJXKFSA-N 0 3 358.482 2.241 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000279051629 550850910 /nfs/dbraw/zinc/85/09/10/550850910.db2.gz MJDZXNDFMDQLNV-UHFFFAOYSA-N 0 3 356.470 2.199 20 30 FEEDHN CCN(Cc1ccccc1)C(=O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279207823 550865037 /nfs/dbraw/zinc/86/50/37/550865037.db2.gz BMESOCZUSUXVBG-HXUWFJFHSA-N 0 3 374.444 2.405 20 30 FEEDHN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279877519 550938661 /nfs/dbraw/zinc/93/86/61/550938661.db2.gz CHODEQYBHCBMRB-GVAQZCDOSA-N 0 3 357.479 2.437 20 30 FEEDHN C=CCCCNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000280445590 550995014 /nfs/dbraw/zinc/99/50/14/550995014.db2.gz KVADVHMKPSHCSB-UHFFFAOYSA-N 0 3 358.486 2.158 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000280542084 551005693 /nfs/dbraw/zinc/00/56/93/551005693.db2.gz SMSGBVZKMVECBS-KDURUIRLSA-N 0 3 367.474 2.311 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000280991968 551052693 /nfs/dbraw/zinc/05/26/93/551052693.db2.gz TTYSRQOMCPSVRO-FQEVSTJZSA-N 0 3 373.460 2.416 20 30 FEEDHN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281005041 551053711 /nfs/dbraw/zinc/05/37/11/551053711.db2.gz UPPNGRGTJIBCLQ-DLBZAZTESA-N 0 3 368.437 2.366 20 30 FEEDHN CN1CCN(CCNC(=O)CCCCOc2cccc(C#N)c2)CC1(C)C ZINC000281886694 551153124 /nfs/dbraw/zinc/15/31/24/551153124.db2.gz XTGXBPZMXZYBEB-UHFFFAOYSA-N 0 3 372.513 2.250 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000281900050 551155246 /nfs/dbraw/zinc/15/52/46/551155246.db2.gz UWLOELBADNTRSK-HKUYNNGSSA-N 0 3 361.486 2.407 20 30 FEEDHN CCC(CC)(CCO)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000282513059 551240424 /nfs/dbraw/zinc/24/04/24/551240424.db2.gz SIGJGWVCGRUYJR-UHFFFAOYSA-N 0 3 355.442 2.213 20 30 FEEDHN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCC2)CC1 ZINC000282794067 551271159 /nfs/dbraw/zinc/27/11/59/551271159.db2.gz GKWVXLFLHMHDLU-UHFFFAOYSA-N 0 3 372.517 2.155 20 30 FEEDHN CN1CC[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000283650455 551403413 /nfs/dbraw/zinc/40/34/13/551403413.db2.gz BDRSFFSLBMTWDL-YTQUADARSA-N 0 3 362.424 2.108 20 30 FEEDHN C(#CCN1CCC[C@H](c2ncc[nH]2)C1)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000284235141 551506418 /nfs/dbraw/zinc/50/64/18/551506418.db2.gz VICFPGGLNMAGOE-ROUUACIJSA-N 0 3 352.486 2.195 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000498190968 561517870 /nfs/dbraw/zinc/51/78/70/561517870.db2.gz SCLRHQJEZWKFKR-ATZDWAIDSA-N 0 3 368.481 2.068 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOC[C@@H]1CCCO1 ZINC000498387783 561523885 /nfs/dbraw/zinc/52/38/85/561523885.db2.gz YXKYQRYOFQNFKM-IBGZPJMESA-N 0 3 359.470 2.034 20 30 FEEDHN CN1CCC(Oc2ccc(CNC(=O)C3(C#N)CCOCC3)cc2)CC1 ZINC000284702659 551612291 /nfs/dbraw/zinc/61/22/91/551612291.db2.gz ONVGPICYSBWIRZ-UHFFFAOYSA-N 0 3 357.454 2.096 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000285285782 551732012 /nfs/dbraw/zinc/73/20/12/551732012.db2.gz ZOQWYRCNFRXOTJ-XLIONFOSSA-N 0 3 370.493 2.401 20 30 FEEDHN CC1CCN([C@H](CNC(=O)C(=O)NCCCCC#N)c2ccccc2)CC1 ZINC000285422631 551754190 /nfs/dbraw/zinc/75/41/90/551754190.db2.gz IXYNKTOJAIOWMB-LJQANCHMSA-N 0 3 370.497 2.386 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000285430471 551755427 /nfs/dbraw/zinc/75/54/27/551755427.db2.gz WKHXFBDMYQONMH-QGZVFWFLSA-N 0 3 358.461 2.466 20 30 FEEDHN CCNC(=O)OC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1C#N ZINC000285759371 551806548 /nfs/dbraw/zinc/80/65/48/551806548.db2.gz WZTKVRYKFHUCMO-INIZCTEOSA-N 0 3 358.442 2.487 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000285827225 551815718 /nfs/dbraw/zinc/81/57/18/551815718.db2.gz GAACPEWDLJYSDN-GOSISDBHSA-N 0 3 371.481 2.173 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCSC[C@@H]2c2ccccc2)CC1 ZINC000286425106 551885042 /nfs/dbraw/zinc/88/50/42/551885042.db2.gz GCLGBDAWSDWKIK-GOSISDBHSA-N 0 3 373.522 2.070 20 30 FEEDHN C=CCOc1ccc(CNC(=O)NCCCCN2CCN(CC)CC2)cc1 ZINC000286561904 551900350 /nfs/dbraw/zinc/90/03/50/551900350.db2.gz IJAWPFGQPLVYNR-UHFFFAOYSA-N 0 3 374.529 2.468 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000286624293 551907407 /nfs/dbraw/zinc/90/74/07/551907407.db2.gz MBBBZPZJAASSSM-MRXNPFEDSA-N 0 3 373.497 2.371 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(Cc2cccs2)C2CC2)CC1 ZINC000286795286 551926797 /nfs/dbraw/zinc/92/67/97/551926797.db2.gz UNPPKKNNZIKQRH-UHFFFAOYSA-N 0 3 361.511 2.396 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000287081347 551961246 /nfs/dbraw/zinc/96/12/46/551961246.db2.gz OGDVWFGQPQDWOR-HNNXBMFYSA-N 0 3 360.433 2.344 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCCO2)cc1 ZINC000287117228 551965601 /nfs/dbraw/zinc/96/56/01/551965601.db2.gz KLSPWXIBAMJBJR-DZGCQCFKSA-N 0 3 365.455 2.405 20 30 FEEDHN C=CCOc1ccc(CNC(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000287279349 551984542 /nfs/dbraw/zinc/98/45/42/551984542.db2.gz SYMWMJXOFMGUSD-UHFFFAOYSA-N 0 3 360.502 2.077 20 30 FEEDHN CC[C@@](C)(C#N)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000287367064 551995155 /nfs/dbraw/zinc/99/51/55/551995155.db2.gz NYWSTAOEMTYFNO-FPOVZHCZSA-N 0 3 354.498 2.345 20 30 FEEDHN C#C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C)C(C)(C)C ZINC000288436466 552153275 /nfs/dbraw/zinc/15/32/75/552153275.db2.gz PDPIPFQCFJTUDH-KRWDZBQOSA-N 0 3 359.470 2.038 20 30 FEEDHN C[C@@H]1CC[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000499916499 561561512 /nfs/dbraw/zinc/56/15/12/561561512.db2.gz RVSAGCLOZBCJGN-APWZRJJASA-N 0 3 370.497 2.001 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000289141486 552272285 /nfs/dbraw/zinc/27/22/85/552272285.db2.gz KCRDNKDTHSDNBR-IEBWSBKVSA-N 0 3 359.495 2.337 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000289141487 552272356 /nfs/dbraw/zinc/27/23/56/552272356.db2.gz KCRDNKDTHSDNBR-MJGOQNOKSA-N 0 3 359.495 2.337 20 30 FEEDHN C#Cc1ccc(CNCc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1 ZINC000289168446 552276362 /nfs/dbraw/zinc/27/63/62/552276362.db2.gz FCJBLYCGBABMQP-UHFFFAOYSA-N 0 3 352.434 2.433 20 30 FEEDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000290046639 552419035 /nfs/dbraw/zinc/41/90/35/552419035.db2.gz LYNZLFHEUQCHLW-GFCCVEGCSA-N 0 3 350.850 2.387 20 30 FEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000290116491 552429468 /nfs/dbraw/zinc/42/94/68/552429468.db2.gz FVNDMCHRJKDJLL-OAHLLOKOSA-N 0 3 356.474 2.149 20 30 FEEDHN CN(C)C1(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CCCCC1 ZINC000500791859 561582579 /nfs/dbraw/zinc/58/25/79/561582579.db2.gz JGBKKHZWNACABA-UHFFFAOYSA-N 0 3 353.463 2.381 20 30 FEEDHN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500928958 561585964 /nfs/dbraw/zinc/58/59/64/561585964.db2.gz HLRSHQIHQHVDPW-ZIAGYGMSSA-N 0 3 353.463 2.380 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(F)(F)[C@@H](CO)C1)C(C)C ZINC000291579890 552639633 /nfs/dbraw/zinc/63/96/33/552639633.db2.gz YGECUTFIQTYNKL-CVEARBPZSA-N 0 3 359.461 2.344 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@H](O)COCc3cccs3)C2)nc1 ZINC000292375442 552720847 /nfs/dbraw/zinc/72/08/47/552720847.db2.gz YWBXTHOQEMDWLK-JKSUJKDBSA-N 0 3 359.451 2.046 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000293910579 552867104 /nfs/dbraw/zinc/86/71/04/552867104.db2.gz GAZFBQLQFZAWIR-UHFFFAOYSA-N 0 3 360.845 2.394 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000293958763 552871032 /nfs/dbraw/zinc/87/10/32/552871032.db2.gz KUHZDHMFUGIYFX-UHFFFAOYSA-N 0 3 371.359 2.482 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000294090344 552881097 /nfs/dbraw/zinc/88/10/97/552881097.db2.gz XLNXSOOZRBRQJI-UHFFFAOYSA-N 0 3 362.495 2.088 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294174921 552887998 /nfs/dbraw/zinc/88/79/98/552887998.db2.gz JQFUUVHJOMDLTR-KGLIPLIRSA-N 0 3 353.463 2.237 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCC[C@H](C)C1 ZINC000294338679 552898331 /nfs/dbraw/zinc/89/83/31/552898331.db2.gz JRMVCEVEORUYQX-KBPBESRZSA-N 0 3 353.463 2.237 20 30 FEEDHN CN(C)Cc1cccc(CNS(=O)(=O)Cc2ccc(F)cc2C#N)c1 ZINC000295255927 552976887 /nfs/dbraw/zinc/97/68/87/552976887.db2.gz XKFWXZIVHJTYHT-UHFFFAOYSA-N 0 3 361.442 2.379 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000295413454 553002310 /nfs/dbraw/zinc/00/23/10/553002310.db2.gz SPCFUGONQGQTRG-CYBMUJFWSA-N 0 3 356.470 2.151 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000295413454 553002312 /nfs/dbraw/zinc/00/23/12/553002312.db2.gz SPCFUGONQGQTRG-CYBMUJFWSA-N 0 3 356.470 2.151 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000296137604 553110982 /nfs/dbraw/zinc/11/09/82/553110982.db2.gz DCDZMMXNFHLYIU-UHFFFAOYSA-N 0 3 356.470 2.180 20 30 FEEDHN N#CCc1ccc(OC[C@@H](O)CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000296169114 553115858 /nfs/dbraw/zinc/11/58/58/553115858.db2.gz NLBXZNMQKCTNAM-ICSRJNTNSA-N 0 3 356.466 2.383 20 30 FEEDHN C[C@@H]1CN(C2CC2)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000296695562 553199048 /nfs/dbraw/zinc/19/90/48/553199048.db2.gz KFRWRSHBEBYKJM-OXQOHEQNSA-N 0 3 352.482 2.470 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000296766861 553208813 /nfs/dbraw/zinc/20/88/13/553208813.db2.gz GCZHSBDQPLUEPQ-UHFFFAOYSA-N 0 3 351.454 2.317 20 30 FEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000296819497 553215846 /nfs/dbraw/zinc/21/58/46/553215846.db2.gz LJMZNVZUVRZTTN-HNNXBMFYSA-N 0 3 360.433 2.263 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000297450410 553293679 /nfs/dbraw/zinc/29/36/79/553293679.db2.gz JVDNIAAWQYXUNR-UHFFFAOYSA-N 0 3 365.481 2.186 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000297894872 553353982 /nfs/dbraw/zinc/35/39/82/553353982.db2.gz VUEHGIMDBOJTBI-IBGZPJMESA-N 0 3 357.498 2.392 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)NC[C@H](c1cccs1)N1CCOCC1 ZINC000298066225 553379566 /nfs/dbraw/zinc/37/95/66/553379566.db2.gz FINFYKVSHTXBSU-IAGOWNOFSA-N 0 3 363.527 2.300 20 30 FEEDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000503419854 561640899 /nfs/dbraw/zinc/64/08/99/561640899.db2.gz HTFWEHNPIQLDTF-IFXJQAMLSA-N 0 3 351.454 2.465 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCn1cc(Cl)cn1 ZINC000298872774 553483426 /nfs/dbraw/zinc/48/34/26/553483426.db2.gz UROVZDIJMHVYSP-UHFFFAOYSA-N 0 3 359.861 2.389 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000299694475 553601574 /nfs/dbraw/zinc/60/15/74/553601574.db2.gz SLESHOREXIIEIH-UHFFFAOYSA-N 0 3 366.408 2.301 20 30 FEEDHN N#Cc1cc(S(N)(=O)=O)ccc1NCCCN1CCc2ccccc2C1 ZINC000301342833 553643989 /nfs/dbraw/zinc/64/39/89/553643989.db2.gz JFWNSAMTBYBNLT-UHFFFAOYSA-N 0 3 370.478 2.066 20 30 FEEDHN C=CCN1CCC(Nc2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 ZINC000301406397 553649004 /nfs/dbraw/zinc/64/90/04/553649004.db2.gz UZMCLPYLIBOFMA-UHFFFAOYSA-N 0 3 364.877 2.270 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c(Cl)c1 ZINC000326247755 553779519 /nfs/dbraw/zinc/77/95/19/553779519.db2.gz NNKFESUIHMKMJF-GOEBONIOSA-N 0 3 361.854 2.327 20 30 FEEDHN N#Cc1cc(N[C@H]2CCCN(CCN3CCOCC3)C2)nc2ccccc12 ZINC000603422796 553784837 /nfs/dbraw/zinc/78/48/37/553784837.db2.gz JAZFHJIBBIXVHM-SFHVURJKSA-N 0 3 365.481 2.315 20 30 FEEDHN CN(CCCNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000327060280 553785710 /nfs/dbraw/zinc/78/57/10/553785710.db2.gz XATXHDSERSJLNU-UHFFFAOYSA-N 0 3 357.479 2.448 20 30 FEEDHN CN(CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000328824103 553828355 /nfs/dbraw/zinc/82/83/55/553828355.db2.gz RJPNHDBPEPEVQA-IBGZPJMESA-N 0 3 372.538 2.030 20 30 FEEDHN CC(C(=O)N[C@H](C#N)c1ccc(Cl)cc1)S(=O)(=O)C1CCOCC1 ZINC000505834370 561682250 /nfs/dbraw/zinc/68/22/50/561682250.db2.gz SOERGHCWPGWSGG-XHDPSFHLSA-N 0 3 370.858 2.003 20 30 FEEDHN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000328954679 553852602 /nfs/dbraw/zinc/85/26/02/553852602.db2.gz IOAYALHSYDSQRK-QKLQHJQFSA-N 0 3 368.437 2.360 20 30 FEEDHN Cc1noc([C@H](NC(=O)N[C@H](C)CN2CCCCC2)C2CCOCC2)n1 ZINC000329022029 553866595 /nfs/dbraw/zinc/86/65/95/553866595.db2.gz IEQWWWLYDBJDAO-CZUORRHYSA-N 0 3 365.478 2.224 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329036648 553869112 /nfs/dbraw/zinc/86/91/12/553869112.db2.gz YXDQUKIQQLZKRT-SJORKVTESA-N 0 3 365.522 2.045 20 30 FEEDHN CN(C)[C@@]1(CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCSC1 ZINC000329038911 553869640 /nfs/dbraw/zinc/86/96/40/553869640.db2.gz SBZSFBJDLOFPTE-FRFSOERESA-N 0 3 352.504 2.282 20 30 FEEDHN C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)N1CCC(C)CC1 ZINC000506108594 561690653 /nfs/dbraw/zinc/69/06/53/561690653.db2.gz JUYPKIVNIHLHOG-BEFAXECRSA-N 0 3 351.491 2.485 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C1 ZINC000329116385 553883024 /nfs/dbraw/zinc/88/30/24/553883024.db2.gz IOHLTCFZKKBBKC-JKSUJKDBSA-N 0 3 373.453 2.461 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000329116738 553883199 /nfs/dbraw/zinc/88/31/99/553883199.db2.gz ISERNIXTWSSFCE-XDNAFOTISA-N 0 3 353.507 2.027 20 30 FEEDHN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000329130311 553885818 /nfs/dbraw/zinc/88/58/18/553885818.db2.gz WWMYFYAJRKSBBI-ZHALLVOQSA-N 0 3 351.491 2.189 20 30 FEEDHN C[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1nnc2n1CCC2 ZINC000329147573 553889054 /nfs/dbraw/zinc/88/90/54/553889054.db2.gz AXLXWWJACDGNCE-OAHLLOKOSA-N 0 3 368.485 2.454 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329157120 553891605 /nfs/dbraw/zinc/89/16/05/553891605.db2.gz CGYAAIMJJYFLME-DMUMMCEESA-N 0 3 365.518 2.169 20 30 FEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CCc2n[nH]nc2C1 ZINC000329166181 553893489 /nfs/dbraw/zinc/89/34/89/553893489.db2.gz HYGKHNFEWMBKKN-CQSZACIVSA-N 0 3 355.442 2.155 20 30 FEEDHN C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)N1CCCCCC1 ZINC000329172506 553894871 /nfs/dbraw/zinc/89/48/71/553894871.db2.gz AGHDRBOJLNWFBE-OOKSDGMUSA-N 0 3 364.534 2.291 20 30 FEEDHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NCC1=CCN(C)CC1 ZINC000329211923 553903293 /nfs/dbraw/zinc/90/32/93/553903293.db2.gz HKSJUGOPLVNQIV-UHFFFAOYSA-N 0 3 357.458 2.442 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)[C@@H]2C1 ZINC000329242006 553909139 /nfs/dbraw/zinc/90/91/39/553909139.db2.gz AAEHXXAUPFOYNR-VQIMIIECSA-N 0 3 370.497 2.497 20 30 FEEDHN C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C1=CCN(C)CC1 ZINC000329258805 553913122 /nfs/dbraw/zinc/91/31/22/553913122.db2.gz AAGOBBMMHMNLFQ-ZDUSSCGKSA-N 0 3 363.483 2.082 20 30 FEEDHN C[C@H](NC(=O)N1CCN(C(=O)C2CCCCC2)CC1)C1=CCN(C)CC1 ZINC000329281808 553917224 /nfs/dbraw/zinc/91/72/24/553917224.db2.gz FBNNJAHPXNUISU-INIZCTEOSA-N 0 3 362.518 2.275 20 30 FEEDHN O=C(NCc1cccc(CN2CCCC2=O)c1)N[C@H]1CCN(C2CC2)C1 ZINC000329327153 553925960 /nfs/dbraw/zinc/92/59/60/553925960.db2.gz XBDNNAOUMVKIBE-KRWDZBQOSA-N 0 3 356.470 2.049 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)c3ccc(F)c(C#N)c3)cc2)CC1 ZINC000506512430 561700696 /nfs/dbraw/zinc/70/06/96/561700696.db2.gz ULKUTEUCZVWEBS-UHFFFAOYSA-N 0 3 366.440 2.375 20 30 FEEDHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000329338552 553928403 /nfs/dbraw/zinc/92/84/03/553928403.db2.gz NDWOFMLQLPAQFG-GJZGRUSLSA-N 0 3 365.499 2.269 20 30 FEEDHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329479513 553954240 /nfs/dbraw/zinc/95/42/40/553954240.db2.gz CRIZLINEWKOQBH-GOEBONIOSA-N 0 3 357.520 2.188 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H](N4CCCCC4)C3)C2)nn1 ZINC000329656714 553983161 /nfs/dbraw/zinc/98/31/61/553983161.db2.gz GKMAGQMSLNRSLU-ROUUACIJSA-N 0 3 372.517 2.228 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncnc4ccsc43)CC2)CCN1C ZINC000329806250 554009143 /nfs/dbraw/zinc/00/91/43/554009143.db2.gz NSDATBOUZVRDTA-KGLIPLIRSA-N 0 3 374.514 2.210 20 30 FEEDHN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)N(C(C)=O)C1 ZINC000329881985 554024109 /nfs/dbraw/zinc/02/41/09/554024109.db2.gz PGQOJSGTWMZSIA-DQEVTTJGSA-N 0 3 359.470 2.414 20 30 FEEDHN CC(C)c1nnc([C@H]2CN(C(=O)NCCN3CCC[C@@H](C)C3)CCO2)o1 ZINC000329905341 554029072 /nfs/dbraw/zinc/02/90/72/554029072.db2.gz JNJUBPANBVGGMG-HUUCEWRRSA-N 0 3 365.478 2.212 20 30 FEEDHN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CCCCN1C1CC1 ZINC000329943494 554036826 /nfs/dbraw/zinc/03/68/26/554036826.db2.gz HTAPWNITLQFGPD-CQSZACIVSA-N 0 3 356.426 2.076 20 30 FEEDHN C[C@@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C[C@@H]1n1ccnc1 ZINC000329948900 554037444 /nfs/dbraw/zinc/03/74/44/554037444.db2.gz LBOSZADNHWFZDR-HLLBOEOZSA-N 0 3 351.520 2.117 20 30 FEEDHN CCN1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C[C@H]1c1ncc[nH]1 ZINC000329956035 554038650 /nfs/dbraw/zinc/03/86/50/554038650.db2.gz KZXPLBSAFHJCAR-BBWFWOEESA-N 0 3 362.522 2.123 20 30 FEEDHN O=C(NCCc1csc(N2CCCC2)n1)NC[C@@H]1CCc2nccn2C1 ZINC000329960092 554039112 /nfs/dbraw/zinc/03/91/12/554039112.db2.gz QWWUYGDFZKTKLN-AWEZNQCLSA-N 0 3 374.514 2.249 20 30 FEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+]CCc1csc(N2CCCC2)n1 ZINC000329960092 554039114 /nfs/dbraw/zinc/03/91/14/554039114.db2.gz QWWUYGDFZKTKLN-AWEZNQCLSA-N 0 3 374.514 2.249 20 30 FEEDHN Cc1cccn2cc(CNC(=O)C(C)S(=O)(=O)C3CCOCC3)nc12 ZINC000330043708 554054101 /nfs/dbraw/zinc/05/41/01/554054101.db2.gz ANINJZLONREGHB-CYBMUJFWSA-N 0 3 365.455 2.082 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000330089155 554062962 /nfs/dbraw/zinc/06/29/62/554062962.db2.gz VLWWWTUKABHVBM-RYRKJORJSA-N 0 3 353.507 2.291 20 30 FEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000330155069 554074991 /nfs/dbraw/zinc/07/49/91/554074991.db2.gz YBQFRXHGEIZRNE-ZYSHUDEJSA-N 0 3 360.454 2.283 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330256466 554094109 /nfs/dbraw/zinc/09/41/09/554094109.db2.gz KPXNSPNWGIQWOY-IAGOWNOFSA-N 0 3 353.507 2.483 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330272958 554096970 /nfs/dbraw/zinc/09/69/70/554096970.db2.gz YKOMZQCWYGHBON-ZACQAIPSSA-N 0 3 351.491 2.187 20 30 FEEDHN Cc1nc(N2CCOCC2)ccc1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000330289812 554100139 /nfs/dbraw/zinc/10/01/39/554100139.db2.gz FGMNVEKYQRWJQE-KRWDZBQOSA-N 0 3 373.501 2.332 20 30 FEEDHN Cn1cncc1[C@@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCCCC2)CCO1 ZINC000330332379 554106940 /nfs/dbraw/zinc/10/69/40/554106940.db2.gz OUUZQFFDVRRUNH-RDJZCZTQSA-N 0 3 363.506 2.408 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000330378702 554113432 /nfs/dbraw/zinc/11/34/32/554113432.db2.gz ROVOLGHFOFBAGD-OWCLPIDISA-N 0 3 358.552 2.059 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000330588412 554142276 /nfs/dbraw/zinc/14/22/76/554142276.db2.gz YUWLLHFCSIUFLW-CXAGYDPISA-N 0 3 353.463 2.189 20 30 FEEDHN COC(=O)[C@]1(C)CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331477176 554271827 /nfs/dbraw/zinc/27/18/27/554271827.db2.gz PQDRVLBOYLEOGR-CFLQYTFWSA-N 0 3 355.438 2.185 20 30 FEEDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1N1CCCC1 ZINC000331526101 554280472 /nfs/dbraw/zinc/28/04/72/554280472.db2.gz FWSMGJAUKGHDHR-ZTFGCOKTSA-N 0 3 358.511 2.397 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@](C)(O)CC2)cc1 ZINC000332366056 554433101 /nfs/dbraw/zinc/43/31/01/554433101.db2.gz YKMDFGBHNZEPIB-GUYCJALGSA-N 0 3 365.455 2.141 20 30 FEEDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000332626148 554486431 /nfs/dbraw/zinc/48/64/31/554486431.db2.gz OQYROSXEBAVLTO-CVEARBPZSA-N 0 3 351.447 2.086 20 30 FEEDHN CC(C#N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000510383969 561833035 /nfs/dbraw/zinc/83/30/35/561833035.db2.gz IRUQIIOXMATGFQ-SNVBAGLBSA-N 0 3 356.304 2.422 20 30 FEEDHN C[C@@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C)CN1 ZINC000333584582 554625645 /nfs/dbraw/zinc/62/56/45/554625645.db2.gz AMYMJVWHWXYKFD-VBJONLRCSA-N 0 3 357.458 2.035 20 30 FEEDHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(F)(C#N)CC1 ZINC000510905665 561850227 /nfs/dbraw/zinc/85/02/27/561850227.db2.gz RJJYUEQUNWRPEO-KRWDZBQOSA-N 0 3 372.488 2.483 20 30 FEEDHN CN(C)CCOc1cccc(NC(=O)C(=O)NCC(C)(C)CCC#N)c1 ZINC000510960214 561852210 /nfs/dbraw/zinc/85/22/10/561852210.db2.gz SXDCRLRTBZFHBM-UHFFFAOYSA-N 0 3 360.458 2.012 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000361904443 554937506 /nfs/dbraw/zinc/93/75/06/554937506.db2.gz ACDFCIWXIAMFEG-DLBZAZTESA-N 0 3 357.454 2.278 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](c2nc(C)no2)c2ccccc2)CC1 ZINC000361943886 554939910 /nfs/dbraw/zinc/93/99/10/554939910.db2.gz MHXHHVHWJOJGEA-KRWDZBQOSA-N 0 3 355.442 2.417 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000362407489 554970563 /nfs/dbraw/zinc/97/05/63/554970563.db2.gz JIJDSYZUAYHMNJ-GOSISDBHSA-N 0 3 351.454 2.292 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1C(=O)NC1CC1)C(C)C ZINC000362473552 554974312 /nfs/dbraw/zinc/97/43/12/554974312.db2.gz NNOGFJQRXWZUDD-ROUUACIJSA-N 0 3 362.518 2.138 20 30 FEEDHN C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000362660264 554979339 /nfs/dbraw/zinc/97/93/39/554979339.db2.gz VSDSOFKIJSULDH-JXFKEZNVSA-N 0 3 353.514 2.294 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CCN(C)C[C@H]3C)C2)n1 ZINC000363114220 555033325 /nfs/dbraw/zinc/03/33/25/555033325.db2.gz PFBMREZESMNUGS-AYOQOUSVSA-N 0 3 369.513 2.277 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000363378714 555089860 /nfs/dbraw/zinc/08/98/60/555089860.db2.gz CPYNQWKEQQDLGV-UHFFFAOYSA-N 0 3 358.486 2.399 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000363378714 555089861 /nfs/dbraw/zinc/08/98/61/555089861.db2.gz CPYNQWKEQQDLGV-UHFFFAOYSA-N 0 3 358.486 2.399 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nnc3n2CCCCC3)CC1 ZINC000363392183 555093456 /nfs/dbraw/zinc/09/34/56/555093456.db2.gz DOCJAZLMKAWFJO-HNNXBMFYSA-N 0 3 360.506 2.405 20 30 FEEDHN CC1CCC(N2CCC(NS(=O)(=O)c3ccc(C#N)nc3)CC2)CC1 ZINC000363481935 555116359 /nfs/dbraw/zinc/11/63/59/555116359.db2.gz WSKZXULXHOEAFW-UHFFFAOYSA-N 0 3 362.499 2.275 20 30 FEEDHN C=CCN(C(=O)NCCc1cnn(C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363825832 555194374 /nfs/dbraw/zinc/19/43/74/555194374.db2.gz PNVVRHXNCFMXSN-FQEVSTJZSA-N 0 3 367.497 2.435 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CNC[C@H]1CN(C2CC2)CCO1 ZINC000364472613 555319757 /nfs/dbraw/zinc/31/97/57/555319757.db2.gz BUMFHBVEBLHJEU-NRFANRHFSA-N 0 3 350.466 2.361 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000364553921 555336994 /nfs/dbraw/zinc/33/69/94/555336994.db2.gz CUVMXHFJWVZTGR-CPLUKWAASA-N 0 3 371.481 2.331 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2nc[nH]n2)c2ccccc2)CC1 ZINC000364755106 555394610 /nfs/dbraw/zinc/39/46/10/555394610.db2.gz AMEZUHKOAMDIKZ-KRWDZBQOSA-N 0 3 354.458 2.234 20 30 FEEDHN N#Cc1ncn(CCNCc2cn(-c3ccccc3)nc2-c2cccnc2)n1 ZINC000512855474 561918048 /nfs/dbraw/zinc/91/80/48/561918048.db2.gz IDPLDKGGFZCNLG-UHFFFAOYSA-N 0 3 370.420 2.187 20 30 FEEDHN C=CCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000365258460 555525291 /nfs/dbraw/zinc/52/52/91/555525291.db2.gz OSSHSCVPLAQSBK-PMACEKPBSA-N 0 3 355.482 2.286 20 30 FEEDHN CCN1CCc2c(cccc2NC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000366361538 555821617 /nfs/dbraw/zinc/82/16/17/555821617.db2.gz NQFCBTQIWOJNRJ-UHFFFAOYSA-N 0 3 362.433 2.305 20 30 FEEDHN CN1CCN(C[C@@H]2CCCN(c3nc4c(cc3C#N)CCCC4)C2)CC1 ZINC000367342844 556023316 /nfs/dbraw/zinc/02/33/16/556023316.db2.gz RLZVYXAAFBPIBJ-KRWDZBQOSA-N 0 3 353.514 2.296 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000367464690 556057165 /nfs/dbraw/zinc/05/71/65/556057165.db2.gz IRYVZYQAYBDWAS-KDOFPFPSSA-N 0 3 364.453 2.025 20 30 FEEDHN CC(C)N1CC[C@@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000514993737 561990589 /nfs/dbraw/zinc/99/05/89/561990589.db2.gz KBVBZDGXYZMCPQ-GOSISDBHSA-N 0 3 366.469 2.097 20 30 FEEDHN N#Cc1ccc(N2CCC(N[C@@H](c3nnc[nH]3)c3ccccc3)CC2)nc1 ZINC000367994151 556190354 /nfs/dbraw/zinc/19/03/54/556190354.db2.gz QAPMAGSGNOAGRO-LJQANCHMSA-N 0 3 359.437 2.419 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)o1 ZINC000368086389 556214888 /nfs/dbraw/zinc/21/48/88/556214888.db2.gz XBMCINGQQMCYQV-SJORKVTESA-N 0 3 371.462 2.294 20 30 FEEDHN CC[C@@H](CC#N)NC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000368136756 556227497 /nfs/dbraw/zinc/22/74/97/556227497.db2.gz XWRAFQXOILILDE-AWEZNQCLSA-N 0 3 351.472 2.130 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000515468145 562011490 /nfs/dbraw/zinc/01/14/90/562011490.db2.gz KHWKFKAJWDZAPW-HIFRSBDPSA-N 0 3 371.312 2.368 20 30 FEEDHN C[C@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000368732412 556400394 /nfs/dbraw/zinc/40/03/94/556400394.db2.gz JUGWEEDRPNDPDV-OWCLPIDISA-N 0 3 355.486 2.617 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000515638009 562017843 /nfs/dbraw/zinc/01/78/43/562017843.db2.gz NGVFTFOBOGFFMQ-IEBWSBKVSA-N 0 3 355.413 2.306 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@@H](NC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000369136288 556513422 /nfs/dbraw/zinc/51/34/22/556513422.db2.gz CBKGSHGHZCAXTR-RTBURBONSA-N 0 3 367.497 2.407 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(N2CCN(CCC)CC2)CC1 ZINC000369153678 556518856 /nfs/dbraw/zinc/51/88/56/556518856.db2.gz DNOGLOCWTVFVQY-LJQANCHMSA-N 0 3 364.578 2.292 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369677956 556666397 /nfs/dbraw/zinc/66/63/97/556666397.db2.gz BFLQWUJUEQIRDC-UHFFFAOYSA-N 0 3 374.426 2.390 20 30 FEEDHN CN1CCC[C@@H](N2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C1 ZINC000370215804 556813398 /nfs/dbraw/zinc/81/33/98/556813398.db2.gz MPCZNVPLFVHXSM-QGZVFWFLSA-N 0 3 358.511 2.154 20 30 FEEDHN N#C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCN1C1CC1 ZINC000370970093 557031146 /nfs/dbraw/zinc/03/11/46/557031146.db2.gz VOBNQUDLEBYGOQ-WOJBJXKFSA-N 0 3 367.497 2.205 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371241853 557117120 /nfs/dbraw/zinc/11/71/20/557117120.db2.gz DNXSJBBYJLMGBE-SFHVURJKSA-N 0 3 356.470 2.199 20 30 FEEDHN COCCN1CCC(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000371344289 557153797 /nfs/dbraw/zinc/15/37/97/557153797.db2.gz LDSOWGFJFLFYNQ-UHFFFAOYSA-N 0 3 368.481 2.468 20 30 FEEDHN CO[C@@H]1COC[C@H]1NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000517560746 562092497 /nfs/dbraw/zinc/09/24/97/562092497.db2.gz WHKRRQZXLPEXRC-HUUCEWRRSA-N 0 3 363.483 2.221 20 30 FEEDHN COCCCN1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000371487307 557196755 /nfs/dbraw/zinc/19/67/55/557196755.db2.gz FIZXRIMRBRPABR-HXUWFJFHSA-N 0 3 370.497 2.098 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000371495565 557200446 /nfs/dbraw/zinc/20/04/46/557200446.db2.gz DOKDSRVISAPTTP-UHFFFAOYSA-N 0 3 356.470 2.295 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000371495565 557200449 /nfs/dbraw/zinc/20/04/49/557200449.db2.gz DOKDSRVISAPTTP-UHFFFAOYSA-N 0 3 356.470 2.295 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000517957481 562101571 /nfs/dbraw/zinc/10/15/71/562101571.db2.gz QQXFCJUIUYZSFP-FGTMMUONSA-N 0 3 370.497 2.499 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000518531423 562113725 /nfs/dbraw/zinc/11/37/25/562113725.db2.gz ZDPUCUXNIOLKRC-KRWDZBQOSA-N 0 3 356.474 2.376 20 30 FEEDHN COC(=O)c1cn([C@@H]2CCCN(CCCOc3ccc(C#N)cc3)C2)nn1 ZINC000372034416 557362558 /nfs/dbraw/zinc/36/25/58/557362558.db2.gz WQYYYQXGDZYZSF-MRXNPFEDSA-N 0 3 369.425 2.042 20 30 FEEDHN C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000518689015 562116435 /nfs/dbraw/zinc/11/64/35/562116435.db2.gz GJIGYYGCZZFYNM-CFLQYTFWSA-N 0 3 354.454 2.341 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCCNC(C)=O ZINC000518729020 562117146 /nfs/dbraw/zinc/11/71/46/562117146.db2.gz YTNUISOBJYUZLA-UHFFFAOYSA-N 0 3 351.520 2.111 20 30 FEEDHN C[C@H](C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)N1[C@H](C)CC[C@@H]1C ZINC000372218836 557412628 /nfs/dbraw/zinc/41/26/28/557412628.db2.gz QPVWZFXHPWMGEK-IRTFSXLWSA-N 0 3 366.465 2.120 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000372353632 557448659 /nfs/dbraw/zinc/44/86/59/557448659.db2.gz AYQNEBSMZQUARZ-KBXCAEBGSA-N 0 3 359.449 2.187 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000372462703 557477202 /nfs/dbraw/zinc/47/72/02/557477202.db2.gz IRSHHPHPDITEHY-FCHUYYIVSA-N 0 3 364.493 2.439 20 30 FEEDHN C=CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372598009 557516122 /nfs/dbraw/zinc/51/61/22/557516122.db2.gz COLIAGQKCCMPGF-KRWDZBQOSA-N 0 3 369.425 2.080 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CC)Cc2cccc(F)c2)CC1 ZINC000519665824 562139113 /nfs/dbraw/zinc/13/91/13/562139113.db2.gz XMBICHPPKMPNGA-UHFFFAOYSA-N 0 3 361.461 2.331 20 30 FEEDHN Cc1ccc(C[C@H](CO)NCCS(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000519820118 562145279 /nfs/dbraw/zinc/14/52/79/562145279.db2.gz DBNHBKVVEMGBAO-LJQANCHMSA-N 0 3 372.490 2.142 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NCCN3[C@H](C)CCC[C@@H]3C)cc2C1=O ZINC000520761135 562162977 /nfs/dbraw/zinc/16/29/77/562162977.db2.gz WLEDJWRYCIXWOL-GASCZTMLSA-N 0 3 369.465 2.461 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000520844443 562165049 /nfs/dbraw/zinc/16/50/49/562165049.db2.gz XGASRJASRNDGDJ-HUUCEWRRSA-N 0 3 374.510 2.477 20 30 FEEDHN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1)C1=CCN(C)CC1 ZINC000374752074 557925507 /nfs/dbraw/zinc/92/55/07/557925507.db2.gz QXMUQFAGBXFNRX-QFBILLFUSA-N 0 3 367.497 2.477 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000375699257 558069369 /nfs/dbraw/zinc/06/93/69/558069369.db2.gz XHDABAAGTMOHIU-INIZCTEOSA-N 0 3 356.536 2.053 20 30 FEEDHN C=C[C@@H](CC(=O)N1CCN(CCN2CCCOCC2)CC1)c1ccccc1 ZINC000376102490 558127392 /nfs/dbraw/zinc/12/73/92/558127392.db2.gz LFLSRWFEHABGTL-FQEVSTJZSA-N 0 3 371.525 2.213 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)CC1 ZINC000376112087 558128589 /nfs/dbraw/zinc/12/85/89/558128589.db2.gz JNPXXNUEKMWLNZ-JTDSTZFVSA-N 0 3 351.491 2.005 20 30 FEEDHN Cn1ccnc1C[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000376496396 558180871 /nfs/dbraw/zinc/18/08/71/558180871.db2.gz WZBFOZAIEYJJOV-MOPGFXCFSA-N 0 3 361.449 2.455 20 30 FEEDHN N#CC1(CNC(=O)NCCc2ccc(OCCN3CCCC3)cc2)CC1 ZINC000521742897 562182914 /nfs/dbraw/zinc/18/29/14/562182914.db2.gz SZNCCXSUOXULAX-UHFFFAOYSA-N 0 3 356.470 2.307 20 30 FEEDHN N#Cc1ccccc1N1CCC(CNC(=O)N2CCN3CCC2CC3)CC1 ZINC000376646123 558202517 /nfs/dbraw/zinc/20/25/17/558202517.db2.gz NHPJKJPGRGQEJD-UHFFFAOYSA-N 0 3 367.497 2.264 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CCN1C1CCN(C)CC1 ZINC000376810609 558224362 /nfs/dbraw/zinc/22/43/62/558224362.db2.gz JPCXFRLDHKBAHI-MRXNPFEDSA-N 0 3 355.486 2.385 20 30 FEEDHN N#Cc1cccnc1-n1cc(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)cn1 ZINC000377853541 558435641 /nfs/dbraw/zinc/43/56/41/558435641.db2.gz AJHASVFWOBXINT-SJORKVTESA-N 0 3 373.372 2.382 20 30 FEEDHN N#Cc1ccccc1N1CCC(CNC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000377895394 558443388 /nfs/dbraw/zinc/44/33/88/558443388.db2.gz IXRBDZLTFSTPCQ-LJQANCHMSA-N 0 3 367.497 2.264 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000522890146 562205617 /nfs/dbraw/zinc/20/56/17/562205617.db2.gz OKECFUJCTIVSFT-DOTOQJQBSA-N 0 3 359.470 2.304 20 30 FEEDHN C#CC[C@H](NC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO)c1ccccc1 ZINC000378277439 558517667 /nfs/dbraw/zinc/51/76/67/558517667.db2.gz MMEVLYMBGORCDK-UFYCRDLUSA-N 0 3 355.482 2.382 20 30 FEEDHN C#CCOc1ccccc1CN1C[C@@H]2CN(Cc3noc(CC)n3)C[C@H]2C1 ZINC000378349351 558535178 /nfs/dbraw/zinc/53/51/78/558535178.db2.gz JOHWRTAUXMHTCF-QZTJIDSGSA-N 0 3 366.465 2.208 20 30 FEEDHN Cn1cc(N2CC[C@H](NCc3cn(C)nc3-c3ccc(C#N)cc3)C2)cn1 ZINC000378480318 558566966 /nfs/dbraw/zinc/56/69/66/558566966.db2.gz FKZVMFWSFLAHOK-SFHVURJKSA-N 0 3 361.453 2.061 20 30 FEEDHN C[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000390715384 558611573 /nfs/dbraw/zinc/61/15/73/558611573.db2.gz KKEFTCVSTIDNEA-QGZVFWFLSA-N 0 3 371.506 2.442 20 30 FEEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)N(CC)CCC#N ZINC000409551637 558702674 /nfs/dbraw/zinc/70/26/74/558702674.db2.gz CUMNOUIBOMASDI-UHFFFAOYSA-N 0 3 372.560 2.372 20 30 FEEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409557518 558702877 /nfs/dbraw/zinc/70/28/77/558702877.db2.gz QZCHSNLXHJWUIG-OAHLLOKOSA-N 0 3 372.560 2.228 20 30 FEEDHN N#Cc1cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)ccc1C(F)(F)F ZINC000409578612 558704616 /nfs/dbraw/zinc/70/46/16/558704616.db2.gz YCHVIXBIIKSQSE-NSHDSACASA-N 0 3 373.400 2.340 20 30 FEEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409843767 558722978 /nfs/dbraw/zinc/72/29/78/558722978.db2.gz QELJHQQKCUJYMQ-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN Cc1cc(NC(=O)C(=O)NCc2cccc(C#N)c2)ccc1CN(C)C ZINC000411140396 558844301 /nfs/dbraw/zinc/84/43/01/558844301.db2.gz ZYJCJDOFXISBPV-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN COCCCN(C)CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000525603952 562250683 /nfs/dbraw/zinc/25/06/83/562250683.db2.gz OPTAKUPSMKQDMD-UHFFFAOYSA-N 0 3 368.437 2.444 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](c3n[nH]c(C)n3)C2)c(OC)c1 ZINC000412028059 559003893 /nfs/dbraw/zinc/00/38/93/559003893.db2.gz MPGOSUWKLRUISX-DLBZAZTESA-N 0 3 372.469 2.079 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](c3nc(C)n[nH]3)C2)c(OC)c1 ZINC000412028059 559003894 /nfs/dbraw/zinc/00/38/94/559003894.db2.gz MPGOSUWKLRUISX-DLBZAZTESA-N 0 3 372.469 2.079 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](c3nnc(C)[nH]3)C2)c(OC)c1 ZINC000412028059 559003895 /nfs/dbraw/zinc/00/38/95/559003895.db2.gz MPGOSUWKLRUISX-DLBZAZTESA-N 0 3 372.469 2.079 20 30 FEEDHN COC1([C@H](C)NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCC1 ZINC000412029514 559004206 /nfs/dbraw/zinc/00/42/06/559004206.db2.gz YITABPISPXAACU-AWEZNQCLSA-N 0 3 353.426 2.230 20 30 FEEDHN C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)C(=O)NCCN1CCCCC1 ZINC000412325871 559027893 /nfs/dbraw/zinc/02/78/93/559027893.db2.gz YOXMAAGIOGMUNV-MJGOQNOKSA-N 0 3 370.497 2.181 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000413836896 559133940 /nfs/dbraw/zinc/13/39/40/559133940.db2.gz PYPRYAGMRMZXSS-QUCCMNQESA-N 0 3 358.530 2.499 20 30 FEEDHN C=C(C)CN(C)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413839526 559134212 /nfs/dbraw/zinc/13/42/12/559134212.db2.gz VRRBPXSHAJSVHB-UHFFFAOYSA-N 0 3 358.486 2.101 20 30 FEEDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000415428045 559235373 /nfs/dbraw/zinc/23/53/73/559235373.db2.gz NZVSUZFCHTXEID-UONOGXRCSA-N 0 3 362.499 2.366 20 30 FEEDHN Cc1onc(CC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1C#N ZINC000527194628 562279664 /nfs/dbraw/zinc/27/96/64/562279664.db2.gz RZOXQQFMTHBHIS-UHFFFAOYSA-N 0 3 370.375 2.319 20 30 FEEDHN CN1CCC[C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000527224837 562281082 /nfs/dbraw/zinc/28/10/82/562281082.db2.gz JCWRWDURJOYYMU-QGZVFWFLSA-N 0 3 356.470 2.453 20 30 FEEDHN N#Cc1cccc([C@@H]2CN(C(=O)NC[C@H](N)c3ccccc3)CCO2)c1 ZINC000418426503 559401008 /nfs/dbraw/zinc/40/10/08/559401008.db2.gz JZOPYGUJFAEDIU-OALUTQOASA-N 0 3 350.422 2.341 20 30 FEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000419241343 559433765 /nfs/dbraw/zinc/43/37/65/559433765.db2.gz BXIOLFAAILMMFB-GXTWGEPZSA-N 0 3 360.408 2.423 20 30 FEEDHN CC(=O)Nc1ccc(CN2CCC(Nc3cncc(C#N)n3)CC2)cc1 ZINC000420639425 559494741 /nfs/dbraw/zinc/49/47/41/559494741.db2.gz QAVZIVNHUQFSNO-UHFFFAOYSA-N 0 3 350.426 2.383 20 30 FEEDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000421308758 559538191 /nfs/dbraw/zinc/53/81/91/559538191.db2.gz YTDKSUMMJXIPLE-ZDUSSCGKSA-N 0 3 362.499 2.408 20 30 FEEDHN C[C@@H](CN1CCN(c2ccccn2)CC1)NCc1ccc(C#N)c(F)c1 ZINC000421367749 559540319 /nfs/dbraw/zinc/54/03/19/559540319.db2.gz UEJLOTQPSQFPJR-INIZCTEOSA-N 0 3 353.445 2.393 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000421508534 559543966 /nfs/dbraw/zinc/54/39/66/559543966.db2.gz FIOCWNZBMZSYDQ-PKOBYXMFSA-N 0 3 357.498 2.138 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000422520516 559592605 /nfs/dbraw/zinc/59/26/05/559592605.db2.gz CFUDUZUABCQCOR-UXHICEINSA-N 0 3 369.509 2.377 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000422533840 559593440 /nfs/dbraw/zinc/59/34/40/559593440.db2.gz YDICEMPNFIGICM-YLJYHZDGSA-N 0 3 371.525 2.479 20 30 FEEDHN COc1ccc(I)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424111212 559655141 /nfs/dbraw/zinc/65/51/41/559655141.db2.gz GQTTWWYLXIXTSB-LLVKDONJSA-N 0 3 373.194 2.259 20 30 FEEDHN COc1cc(CN(C)C(=O)[C@@H](N)CCCC#N)c(SC)cc1OC ZINC000424115392 559655377 /nfs/dbraw/zinc/65/53/77/559655377.db2.gz AJYAOOWGBZGJQC-ZDUSSCGKSA-N 0 3 351.472 2.405 20 30 FEEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)cccc1S(=O)(=O)NC(C)(C)C ZINC000424127017 559655477 /nfs/dbraw/zinc/65/54/77/559655477.db2.gz POJLASPMTCLYMM-ZDUSSCGKSA-N 0 3 366.487 2.032 20 30 FEEDHN C=CCC1(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CCOCC1 ZINC000424697105 559673865 /nfs/dbraw/zinc/67/38/65/559673865.db2.gz NZAZUAOUEQFDBE-NRFANRHFSA-N 0 3 358.482 2.113 20 30 FEEDHN C=CCCn1cc(C(=O)Nc2ccc(OCCN(C)C)cc2OC)nn1 ZINC000424889452 559679479 /nfs/dbraw/zinc/67/94/79/559679479.db2.gz XINHQGQUDRMYEO-UHFFFAOYSA-N 0 3 359.430 2.056 20 30 FEEDHN COC(=O)c1cnc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000424975679 559681799 /nfs/dbraw/zinc/68/17/99/559681799.db2.gz IBNLITMMRBDZLL-RISCZKNCSA-N 0 3 368.418 2.361 20 30 FEEDHN CN(C)CCOc1ccc(CCNc2ncc3c(c2C#N)CCC3)cc1 ZINC000425229683 559692433 /nfs/dbraw/zinc/69/24/33/559692433.db2.gz RWQOPAFCSSUJMC-UHFFFAOYSA-N 0 3 350.466 3.037 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(CC(F)F)C2)cc1 ZINC000425658232 559713497 /nfs/dbraw/zinc/71/34/97/559713497.db2.gz CJPCIPIAZLIVHC-SNVBAGLBSA-N 0 3 357.382 2.491 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](n2ccnn2)C1)C(C)C ZINC000425659880 559713568 /nfs/dbraw/zinc/71/35/68/559713568.db2.gz WQPSJCICSQWQJB-MSOLQXFVSA-N 0 3 360.506 2.323 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425874533 559723649 /nfs/dbraw/zinc/72/36/49/559723649.db2.gz RMLOTUPANMVMNN-HOTGVXAUSA-N 0 3 356.470 2.068 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428771193 559782883 /nfs/dbraw/zinc/78/28/83/559782883.db2.gz HMESZXYBEGVBMY-DYESRHJHSA-N 0 3 356.466 2.392 20 30 FEEDHN C[C@H]1CCN(C)CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527352272 562286320 /nfs/dbraw/zinc/28/63/20/562286320.db2.gz FNJFGEZNURWKHG-ZLPCBKJTSA-N 0 3 371.485 2.379 20 30 FEEDHN CC(C)(CNC(=O)CN[C@H](CCCC#N)c1ccccc1)N1CCOCC1 ZINC000433011241 559869878 /nfs/dbraw/zinc/86/98/78/559869878.db2.gz NLVBTTHQQXAFLR-LJQANCHMSA-N 0 3 372.513 2.238 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000433362028 559878661 /nfs/dbraw/zinc/87/86/61/559878661.db2.gz ONWWMLJDHILFHR-UONOGXRCSA-N 0 3 353.344 2.038 20 30 FEEDHN N#Cc1ccc(CN2CCN(C3CCOCC3)CC2)c(OC(F)F)c1 ZINC000437832192 559970410 /nfs/dbraw/zinc/97/04/10/559970410.db2.gz FHCIDVNHLHSPMI-UHFFFAOYSA-N 0 3 351.397 2.456 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000442107045 560044100 /nfs/dbraw/zinc/04/41/00/560044100.db2.gz DEUMHPLINFQBRF-HZSPNIEDSA-N 0 3 353.463 2.342 20 30 FEEDHN Cc1cc(S(=O)(=O)NCc2ccc(OCCN(C)C)cc2)ccc1C#N ZINC000443942617 560096817 /nfs/dbraw/zinc/09/68/17/560096817.db2.gz DDFKYXWRJVZALX-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCC1 ZINC000445739630 560134506 /nfs/dbraw/zinc/13/45/06/560134506.db2.gz DRHKNXXJVDYZIM-UHFFFAOYSA-N 0 3 361.389 2.340 20 30 FEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000448326020 560184822 /nfs/dbraw/zinc/18/48/22/560184822.db2.gz VRFQKXXPIDFWDJ-OAHLLOKOSA-N 0 3 362.861 2.387 20 30 FEEDHN COC(=O)[C@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCOCC1 ZINC000448936646 560207795 /nfs/dbraw/zinc/20/77/95/560207795.db2.gz NFYZXGRFSHVSJB-QZTJIDSGSA-N 0 3 358.438 2.091 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000448962851 560209057 /nfs/dbraw/zinc/20/90/57/560209057.db2.gz SRQIXPKRTYEAJJ-MSOLQXFVSA-N 0 3 357.454 2.042 20 30 FEEDHN CC#CCCNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449226670 560220802 /nfs/dbraw/zinc/22/08/02/560220802.db2.gz NGHPTEKGPQCSAM-GFCCVEGCSA-N 0 3 353.260 2.465 20 30 FEEDHN COC[C@@]1(CO)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000449704569 560237539 /nfs/dbraw/zinc/23/75/39/560237539.db2.gz VZNASLGKBJMTSG-FQEVSTJZSA-N 0 3 354.454 2.295 20 30 FEEDHN CN(C)C[C@H](O)COc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 ZINC000450134226 560251693 /nfs/dbraw/zinc/25/16/93/560251693.db2.gz OIYCKUNUHYKPAZ-OXJNMPFZSA-N 0 3 357.454 2.400 20 30 FEEDHN Cc1c(C#N)c(NC2CCN(CCC(=O)N(C)C)CC2)nc2ccccc12 ZINC000450325895 560258750 /nfs/dbraw/zinc/25/87/50/560258750.db2.gz FWVUEXDSRAAPBU-UHFFFAOYSA-N 0 3 365.481 2.770 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000451597937 560316771 /nfs/dbraw/zinc/31/67/71/560316771.db2.gz JCTCKQXZPCDLFM-UXHICEINSA-N 0 3 368.481 2.098 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000451605834 560317046 /nfs/dbraw/zinc/31/70/46/560317046.db2.gz KOJAKXOPMOOQAF-IKGGRYGDSA-N 0 3 360.454 2.300 20 30 FEEDHN C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1CCO ZINC000451657036 560320065 /nfs/dbraw/zinc/32/00/65/560320065.db2.gz XFASNBAGUOJTRI-GASCZTMLSA-N 0 3 356.388 2.324 20 30 FEEDHN CC1CCN(CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453587727 560389845 /nfs/dbraw/zinc/38/98/45/560389845.db2.gz CAUBVACHRQLMOE-UHFFFAOYSA-N 0 3 362.861 2.193 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000454535966 560448613 /nfs/dbraw/zinc/44/86/13/560448613.db2.gz FZQONSYYJBJXIE-JKSUJKDBSA-N 0 3 370.497 2.302 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)cc1C#N ZINC000455005078 560467058 /nfs/dbraw/zinc/46/70/58/560467058.db2.gz VULYPCBWQNPJQH-KRWDZBQOSA-N 0 3 360.458 2.314 20 30 FEEDHN C[C@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)CN1CCN(C)CC1 ZINC000455656892 560490783 /nfs/dbraw/zinc/49/07/83/560490783.db2.gz CDQHFJXSAZXQHD-QGZVFWFLSA-N 0 3 356.514 2.127 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000459863864 560714524 /nfs/dbraw/zinc/71/45/24/560714524.db2.gz PEZUMCUQRWGOJX-ZDUSSCGKSA-N 0 3 369.918 2.469 20 30 FEEDHN N#CC(C(=O)Nc1ccc(-c2ncon2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000461813873 560784982 /nfs/dbraw/zinc/78/49/82/560784982.db2.gz XOJCCKQYKAEWSN-CYBMUJFWSA-N 0 3 350.294 2.286 20 30 FEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000468472061 560930751 /nfs/dbraw/zinc/93/07/51/560930751.db2.gz ZQAABUUNAGMECK-KUHUBIRLSA-N 0 3 351.491 2.485 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CCC)CCCS(C)(=O)=O)CC1 ZINC000468753715 560937853 /nfs/dbraw/zinc/93/78/53/560937853.db2.gz AAYJAIYKPQBLDK-INIZCTEOSA-N 0 3 358.548 2.384 20 30 FEEDHN CCN1CCN(CCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CC1 ZINC000468765971 560938098 /nfs/dbraw/zinc/93/80/98/560938098.db2.gz AYNLDFGJURUWCS-MRXNPFEDSA-N 0 3 368.403 2.414 20 30 FEEDHN COC(=O)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000472207682 561020992 /nfs/dbraw/zinc/02/09/92/561020992.db2.gz LCEAIEDJCZSSDT-RBUKOAKNSA-N 0 3 361.401 2.314 20 30 FEEDHN CN(C)CCN(C(=O)CNC(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000474069682 561064838 /nfs/dbraw/zinc/06/48/38/561064838.db2.gz WACWHIWNQWKBKN-UHFFFAOYSA-N 0 3 356.470 2.011 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(CC(=O)N2CCCC2)CC1 ZINC000528355129 562324446 /nfs/dbraw/zinc/32/44/46/562324446.db2.gz YEDKIPYMVPFUNC-LJQANCHMSA-N 0 3 371.481 2.022 20 30 FEEDHN N#CC1(C[C@H](O)CN2CCC(c3nc(-c4ccccn4)no3)CC2)CC1 ZINC000528367927 562325281 /nfs/dbraw/zinc/32/52/81/562325281.db2.gz KHDMZMDCZCFNCP-HNNXBMFYSA-N 0 3 353.426 2.366 20 30 FEEDHN COc1ccc2c(c1)CCN(C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000528422167 562328577 /nfs/dbraw/zinc/32/85/77/562328577.db2.gz IRZOMCHWTCXACJ-LJQANCHMSA-N 0 3 352.434 2.407 20 30 FEEDHN CCOC1CC2(C1)CCN(CC#CCN1C(=O)c3ccccc3C1=O)C2 ZINC000528501900 562332672 /nfs/dbraw/zinc/33/26/72/562332672.db2.gz FQXWGHCSGLEXBH-UHFFFAOYSA-N 0 3 352.434 2.177 20 30 FEEDHN CO[C@@H]1C[C@@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528515463 562333372 /nfs/dbraw/zinc/33/33/72/562333372.db2.gz AAUDULZDNMXRNK-QZTJIDSGSA-N 0 3 352.434 2.175 20 30 FEEDHN N#Cc1ccc(C2(N[C@H]3CCN(CC(F)(F)F)C3=O)CCOCC2)cc1 ZINC000528780072 562347165 /nfs/dbraw/zinc/34/71/65/562347165.db2.gz ATROYMPXGFTLRV-HNNXBMFYSA-N 0 3 367.371 2.317 20 30 FEEDHN N#Cc1ccc(CC(=O)Nc2cccc(CN3CCC(O)CC3)c2)cn1 ZINC000528795408 562348275 /nfs/dbraw/zinc/34/82/75/562348275.db2.gz QABCPMYUAQHYFU-UHFFFAOYSA-N 0 3 350.422 2.091 20 30 FEEDHN COCc1ccc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)cc1C#N ZINC000529816830 562386568 /nfs/dbraw/zinc/38/65/68/562386568.db2.gz QECZCKKLHPUPCX-NRFANRHFSA-N 0 3 365.433 2.280 20 30 FEEDHN N#Cc1ccccc1OCc1ccc(C(=O)NCCNc2ccncc2)o1 ZINC000535256918 562554348 /nfs/dbraw/zinc/55/43/48/562554348.db2.gz DWWBHSNLPMDROY-UHFFFAOYSA-N 0 3 362.389 2.389 20 30 FEEDHN C=C(C)[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)OCC ZINC000536433013 562575426 /nfs/dbraw/zinc/57/54/26/562575426.db2.gz INKUTMFCYZGLBU-ZCNNSNEGSA-N 0 3 360.498 2.357 20 30 FEEDHN C=C(C)[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)OCC ZINC000536433008 562575502 /nfs/dbraw/zinc/57/55/02/562575502.db2.gz INKUTMFCYZGLBU-AQNXPRMDSA-N 0 3 360.498 2.357 20 30 FEEDHN COc1ccccc1O[C@@H](C)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000568741606 568151936 /nfs/dbraw/zinc/15/19/36/568151936.db2.gz YSUHRYBAYLKNEQ-HNNXBMFYSA-N 0 3 374.462 2.398 20 30 FEEDHN COc1ccc([C@@H](OC)[C@H](C)NCc2cnc3c(C#N)cnn3c2)cc1 ZINC000569927967 568437695 /nfs/dbraw/zinc/43/76/95/568437695.db2.gz RZNSKVKJQQXPCE-UGSOOPFHSA-N 0 3 351.410 2.475 20 30 FEEDHN Cc1nc(Cl)cc(NN=C2c3ccccc3N(CCN(C)C)C2=O)n1 ZINC000807974031 674436575 /nfs/dbraw/zinc/43/65/75/674436575.db2.gz QWTXEZYYDQJITF-UHFFFAOYSA-N 0 3 358.833 2.163 20 30 FEEDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000561504134 674672927 /nfs/dbraw/zinc/67/29/27/674672927.db2.gz ALKJKZMUBRAIHP-NSHDSACASA-N 0 3 374.304 2.329 20 30 FEEDHN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)N(C)c1ccccc1 ZINC000562986552 674831235 /nfs/dbraw/zinc/83/12/35/674831235.db2.gz ZEBJZPBZHPPVLU-INIZCTEOSA-N 0 3 357.479 2.446 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN[C@H](CO)C1CCOCC1 ZINC000569280262 670536236 /nfs/dbraw/zinc/53/62/36/670536236.db2.gz AYEXFIKOBHAESL-MRXNPFEDSA-N 0 3 350.484 2.280 20 30 FEEDHN N#CC(C(=O)COC[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000113653332 670886471 /nfs/dbraw/zinc/88/64/71/670886471.db2.gz CIURSDWAWVQIBL-RYUDHWBXSA-N 0 3 354.765 2.322 20 30 FEEDHN CC(C)CN1CCCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000571909904 670939371 /nfs/dbraw/zinc/93/93/71/670939371.db2.gz HWDLUTILMOYBCG-SFHVURJKSA-N 0 3 363.527 2.432 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)NC1CCN(CC#N)CC1)c1ccsc1 ZINC000609336396 675918935 /nfs/dbraw/zinc/91/89/35/675918935.db2.gz WPGWXOZBGOWJMY-QGZVFWFLSA-N 0 3 363.531 2.418 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CCC)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000610134191 675955946 /nfs/dbraw/zinc/95/59/46/675955946.db2.gz USHBPRLRIBMNGG-HOTGVXAUSA-N 0 3 351.491 2.448 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000125193595 672008219 /nfs/dbraw/zinc/00/82/19/672008219.db2.gz HOUJHUYKNIPSGU-ZDUSSCGKSA-N 0 3 361.423 2.116 20 30 FEEDHN C=CCN1CCC(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000171724011 672335271 /nfs/dbraw/zinc/33/52/71/672335271.db2.gz PEAQBSNQHDWRAL-UHFFFAOYSA-N 0 3 351.491 2.400 20 30 FEEDHN CC(C)(C)C(=O)Nc1nc(CC(=O)C(C#N)C(=O)N2CCCC2)cs1 ZINC000173937999 672355942 /nfs/dbraw/zinc/35/59/42/672355942.db2.gz NILSTPCHEYXVQZ-LBPRGKRZSA-N 0 3 362.455 2.001 20 30 FEEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000191174669 672660697 /nfs/dbraw/zinc/66/06/97/672660697.db2.gz SBDKSEPEAHIHGW-HUUCEWRRSA-N 0 3 352.479 2.174 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCOc2ccc(Br)cc21 ZINC000591240862 672660799 /nfs/dbraw/zinc/66/07/99/672660799.db2.gz SDAJWHJMZZDDOW-UKRRQHHQSA-N 0 3 368.275 2.069 20 30 FEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000195281259 672780757 /nfs/dbraw/zinc/78/07/57/672780757.db2.gz AETVYTPOQAWRCU-NEPJUHHUSA-N 0 3 354.332 2.003 20 30 FEEDHN O=C(NCCNCc1cnc(-c2cccs2)s1)C1N=CC=CC1=O ZINC000255028736 672882686 /nfs/dbraw/zinc/88/26/86/672882686.db2.gz JPYQIFMMPXPRSB-CCEZHUSRSA-N 0 3 360.464 2.488 20 30 FEEDHN Cn1ncc(NC2CCN(Cc3cccc(C#N)c3)CC2)c(Cl)c1=O ZINC000593515400 672931971 /nfs/dbraw/zinc/93/19/71/672931971.db2.gz OCOLESLKSZVMHY-UHFFFAOYSA-N 0 3 357.845 2.382 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC000594326949 673059268 /nfs/dbraw/zinc/05/92/68/673059268.db2.gz SNMWHQXYWKVISU-HOTGVXAUSA-N 0 3 360.845 2.283 20 30 FEEDHN COc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1Br ZINC000594439831 673071747 /nfs/dbraw/zinc/07/17/47/673071747.db2.gz RCNJJDFKPATRHC-CYBMUJFWSA-N 0 3 354.248 2.485 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCN2CCCS2(=O)=O)C1 ZINC000329103359 673072330 /nfs/dbraw/zinc/07/23/30/673072330.db2.gz DFKDXYAGXLCICU-WBVHZDCISA-N 0 3 365.499 2.204 20 30 FEEDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000595194493 673207859 /nfs/dbraw/zinc/20/78/59/673207859.db2.gz NWFWMEBBCAOUOL-AWEZNQCLSA-N 0 3 360.483 2.231 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(I)cc1F ZINC000595255044 673214104 /nfs/dbraw/zinc/21/41/04/673214104.db2.gz HMPCIJSQJAEPCT-JTQLQIEISA-N 0 3 361.158 2.390 20 30 FEEDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595631685 673276303 /nfs/dbraw/zinc/27/63/03/673276303.db2.gz JWNAGLUBXQLBDE-XGWLTEMNSA-N 0 3 365.861 2.306 20 30 FEEDHN COc1cc(Br)cc(C[NH2+]C2CCN(CC#N)CC2)c1[O-] ZINC000730578204 673284978 /nfs/dbraw/zinc/28/49/78/673284978.db2.gz BDFXYWXYBYLPMD-UHFFFAOYSA-N 0 3 354.248 2.241 20 30 FEEDHN C[S@@](=O)c1nncn1CC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000732717931 673379697 /nfs/dbraw/zinc/37/96/97/673379697.db2.gz LSCDRYVXDLCMBK-UOXLDJKESA-N 0 3 371.447 2.015 20 30 FEEDHN COc1ccc(C(C)=NNCCS(C)(=O)=O)cc1CN1CCCCC1 ZINC000733203785 673403216 /nfs/dbraw/zinc/40/32/16/673403216.db2.gz ADLSWBYSFXIXRK-UHFFFAOYSA-N 0 3 367.515 2.039 20 30 FEEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000740529712 673648255 /nfs/dbraw/zinc/64/82/55/673648255.db2.gz SPDQZBPODVALKG-WVMKXHBISA-N 0 3 360.797 2.229 20 30 FEEDHN CC(C)(C)OC(=O)C1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599281873 673653127 /nfs/dbraw/zinc/65/31/27/673653127.db2.gz WUJYLYRCAPKLLL-MRXNPFEDSA-N 0 3 352.475 2.111 20 30 FEEDHN COC[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599354576 673663133 /nfs/dbraw/zinc/66/31/33/673663133.db2.gz QJSQQUDZIDRIHY-YOEHRIQHSA-N 0 3 354.397 2.313 20 30 FEEDHN CC[C@@](C)(C(=O)OC)N(C[C@H](O)CC1(C#N)CCOCC1)CC1CC1 ZINC000599439915 673675673 /nfs/dbraw/zinc/67/56/73/673675673.db2.gz JHIUNJJHHRIXQF-AEFFLSMTSA-N 0 3 352.475 2.111 20 30 FEEDHN COCC(=O)N[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)C ZINC000741434828 673686516 /nfs/dbraw/zinc/68/65/16/673686516.db2.gz HQJAMDCZIFWHGL-ABAIWWIYSA-N 0 3 363.414 2.399 20 30 FEEDHN N#Cc1cnc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c2sccc21 ZINC000601133080 673827996 /nfs/dbraw/zinc/82/79/96/673827996.db2.gz TVBVFYQFUQRALK-HNNXBMFYSA-N 0 3 355.467 2.086 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000601319580 673841919 /nfs/dbraw/zinc/84/19/19/673841919.db2.gz PLXDYXODIQZOGV-INIZCTEOSA-N 0 3 351.447 2.255 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@H](C)C1 ZINC000601357016 673847519 /nfs/dbraw/zinc/84/75/19/673847519.db2.gz YGJLMWQUTYQBDV-CJNGLKHVSA-N 0 3 353.463 2.357 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000601372445 673850550 /nfs/dbraw/zinc/85/05/50/673850550.db2.gz YFZNQERSFLMEOS-CJNGLKHVSA-N 0 3 351.447 2.111 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1 ZINC000746446353 673878501 /nfs/dbraw/zinc/87/85/01/673878501.db2.gz GUZMWZDNTWVSAK-OAHLLOKOSA-N 0 3 356.392 2.102 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2([C@@H]3CCCCO3)CCC2)nc1 ZINC000601969666 673900569 /nfs/dbraw/zinc/90/05/69/673900569.db2.gz RTLDHNWUNDJZQB-INIZCTEOSA-N 0 3 363.483 2.056 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1nnn(-c2cccc(Cl)c2)c1CC ZINC000818599555 675227390 /nfs/dbraw/zinc/22/73/90/675227390.db2.gz XGLWZYYYQMEGEX-UHFFFAOYSA-N 0 3 359.861 2.168 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000818606480 675228107 /nfs/dbraw/zinc/22/81/07/675228107.db2.gz VCUNHJVYZFREPF-UHFFFAOYSA-N 0 3 366.252 2.259 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC000818609394 675228420 /nfs/dbraw/zinc/22/84/20/675228420.db2.gz SQPXIBDHHABHDC-JKSUJKDBSA-N 0 3 351.491 2.093 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000819198902 675269194 /nfs/dbraw/zinc/26/91/94/675269194.db2.gz VOMXNDVIHNDOJC-OAGGEKHMSA-N 0 3 368.549 2.301 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H](CO)CC2CCCC2)cc1 ZINC000567352952 675286869 /nfs/dbraw/zinc/28/68/69/675286869.db2.gz TVEPJJXRERWTEN-KRWDZBQOSA-N 0 3 350.484 2.110 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCSCc1ccnc(Cl)c1 ZINC000838547360 680700709 /nfs/dbraw/zinc/70/07/09/680700709.db2.gz ITEGVQPQFTYYRB-UHFFFAOYSA-N 0 3 354.907 2.223 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(I)cc1 ZINC000838624118 680706790 /nfs/dbraw/zinc/70/67/90/680706790.db2.gz HYIJIZYALVCZAA-UHFFFAOYSA-N 0 3 371.222 2.368 20 30 FEEDHN C#C[C@H](NCCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H]1CCCO1 ZINC000839565644 680762391 /nfs/dbraw/zinc/76/23/91/680762391.db2.gz ZETAAGXYGSYWFT-ZFWWWQNUSA-N 0 3 366.845 2.456 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)[C@@H]2C1 ZINC000975212409 680022049 /nfs/dbraw/zinc/02/20/49/680022049.db2.gz OSQTYLYBGRYEFB-FVQBIDKESA-N 0 3 367.921 2.309 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1N(CCc1ccns1)CC2 ZINC000992242435 680097592 /nfs/dbraw/zinc/09/75/92/680097592.db2.gz RNKDLLUSTGWVLL-DFEOGRTESA-N 0 3 361.511 2.390 20 30 FEEDHN C=C(Br)CNC1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000996810922 680341504 /nfs/dbraw/zinc/34/15/04/680341504.db2.gz LFDNXQVLDMBQSS-AEGPPILISA-N 0 3 357.292 2.291 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCNC(=O)OC(C)(C)C)CC1 ZINC000836286885 680445005 /nfs/dbraw/zinc/44/50/05/680445005.db2.gz KMAZLKBFTQSXHP-UHFFFAOYSA-N 0 3 354.495 2.193 20 30 FEEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC001039159500 680462316 /nfs/dbraw/zinc/46/23/16/680462316.db2.gz PNZQUQWUJNGWLU-BBWFWOEESA-N 0 3 367.921 2.024 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCc2c(Br)cccc2C1 ZINC000836487222 680475728 /nfs/dbraw/zinc/47/57/28/680475728.db2.gz BKGWAJCJHQSXIJ-UHFFFAOYSA-N 0 3 364.287 2.472 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCC(=O)Nc1cccc(Cl)c1C ZINC000836487229 680475763 /nfs/dbraw/zinc/47/57/63/680475763.db2.gz BLLBHTGEOOFWOU-UHFFFAOYSA-N 0 3 364.877 2.231 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000836488988 680476052 /nfs/dbraw/zinc/47/60/52/680476052.db2.gz SNIICVLKVOKNDX-CQSZACIVSA-N 0 3 352.504 2.337 20 30 FEEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 ZINC001004548237 680559821 /nfs/dbraw/zinc/55/98/21/680559821.db2.gz QRLURCNOWAMPGO-IXDOHACOSA-N 0 3 367.921 2.166 20 30 FEEDHN C=C(Cl)CN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001045946897 680642080 /nfs/dbraw/zinc/64/20/80/680642080.db2.gz DMPXBXLDXOHHNT-ZHALLVOQSA-N 0 3 369.937 2.163 20 30 FEEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@]1=O ZINC000759867870 680670633 /nfs/dbraw/zinc/67/06/33/680670633.db2.gz KEHOFMBOXAEQCW-RSPPDBIESA-N 0 3 361.492 2.315 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCOc1ccc(C)cc1Cl ZINC000766258310 680872053 /nfs/dbraw/zinc/87/20/53/680872053.db2.gz YSCGIUFFTAFWTA-ZDUSSCGKSA-N 0 3 352.818 2.279 20 30 FEEDHN N#Cc1csc(COC(=O)C2CCN(c3ccc(F)c(F)c3)C2=O)n1 ZINC000842068827 680924921 /nfs/dbraw/zinc/92/49/21/680924921.db2.gz UJSVMQHQVIPJKL-LLVKDONJSA-N 0 3 363.345 2.389 20 30 FEEDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000843433173 681003720 /nfs/dbraw/zinc/00/37/20/681003720.db2.gz VKIWXKRNWXBQQR-MLGOLLRUSA-N 0 3 355.360 2.478 20 30 FEEDHN CN(Cc1cccc(NS(C)(=O)=O)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000846008013 681172731 /nfs/dbraw/zinc/17/27/31/681172731.db2.gz SEDSEQDVUOKTKY-SFHVURJKSA-N 0 3 359.451 2.095 20 30 FEEDHN C#CCC1(NCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCC1 ZINC000933300868 681390750 /nfs/dbraw/zinc/39/07/50/681390750.db2.gz LZURLEXUMSRNRT-UHFFFAOYSA-N 0 3 356.394 2.157 20 30 FEEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)NC(=O)OC(C)(C)C ZINC000777297449 681480115 /nfs/dbraw/zinc/48/01/15/681480115.db2.gz RWTXPOVEZDRNTM-JSGCOSHPSA-N 0 3 351.447 2.447 20 30 FEEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000778176293 681582956 /nfs/dbraw/zinc/58/29/56/681582956.db2.gz HVCAYRLCBFLXJV-XJKSGUPXSA-N 0 3 370.902 2.160 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F)C1CCCC1 ZINC000850977571 681992094 /nfs/dbraw/zinc/99/20/94/681992094.db2.gz YYIXIKBQDAMXPO-YOEHRIQHSA-N 0 3 350.365 2.495 20 30 FEEDHN Cc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000916963274 685528743 /nfs/dbraw/zinc/52/87/43/685528743.db2.gz QDVYRQSIBKNSCZ-GFCCVEGCSA-N 0 3 357.391 2.492 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)CNC(C)C)nc1C ZINC000852784474 682342622 /nfs/dbraw/zinc/34/26/22/682342622.db2.gz MMUXTBZJSJQVNX-UHFFFAOYSA-N 0 3 352.489 2.121 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000796631108 683180048 /nfs/dbraw/zinc/18/00/48/683180048.db2.gz NJMAZLIBLVSOPD-VIFPVBQESA-N 0 3 370.381 2.048 20 30 FEEDHN C=CCN1CC[C@H](N(CCC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799119379 683423794 /nfs/dbraw/zinc/42/37/94/683423794.db2.gz CVHWFSXXOSAHSW-CVEARBPZSA-N 0 3 351.491 2.495 20 30 FEEDHN C=CCN1CC[C@H](N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1=O ZINC000799121614 683424191 /nfs/dbraw/zinc/42/41/91/683424191.db2.gz HXMNNSXDCBTFMH-ZBFHGGJFSA-N 0 3 351.491 2.399 20 30 FEEDHN C=C(Cl)C[C@H]1NC(=O)N(CC2(N3CCSCC3)CCCC2)C1=O ZINC000865299806 683963994 /nfs/dbraw/zinc/96/39/94/683963994.db2.gz QRNWOWUHWOJBSA-CYBMUJFWSA-N 0 3 357.907 2.411 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@H](O)[C@@H](C)O)cc1OCC ZINC000865741817 684021768 /nfs/dbraw/zinc/02/17/68/684021768.db2.gz SUDIRVBANHSZPU-RISCZKNCSA-N 0 3 374.275 2.244 20 30 FEEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000924568873 684470547 /nfs/dbraw/zinc/47/05/47/684470547.db2.gz FFVXDNLQJCOFDA-OAHLLOKOSA-N 0 3 365.499 2.125 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911515207 685220384 /nfs/dbraw/zinc/22/03/84/685220384.db2.gz AZQLGXPUGVLQQR-IAGOWNOFSA-N 0 3 355.463 2.004 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000873895725 685241536 /nfs/dbraw/zinc/24/15/36/685241536.db2.gz BCJFRKYASXKHOM-UHFFFAOYSA-N 0 3 362.499 2.201 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000876573700 686222312 /nfs/dbraw/zinc/22/23/12/686222312.db2.gz ZPHCKKBEDGPHRF-HNNXBMFYSA-N 0 3 350.850 2.269 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000876592522 686225899 /nfs/dbraw/zinc/22/58/99/686225899.db2.gz SVPGIUIVBBNSOJ-HUUCEWRRSA-N 0 3 367.877 2.191 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876620637 686229616 /nfs/dbraw/zinc/22/96/16/686229616.db2.gz NYWJYPTUFLRXDT-WCQYABFASA-N 0 3 366.767 2.031 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000876624345 686231451 /nfs/dbraw/zinc/23/14/51/686231451.db2.gz LSUURSLRLJFYIM-HNNXBMFYSA-N 0 3 370.280 2.023 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000876631507 686232512 /nfs/dbraw/zinc/23/25/12/686232512.db2.gz SYLVZEUINWFSET-CYBMUJFWSA-N 0 3 355.891 2.247 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000876631508 686232753 /nfs/dbraw/zinc/23/27/53/686232753.db2.gz SYLVZEUINWFSET-ZDUSSCGKSA-N 0 3 355.891 2.247 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000876686317 686243570 /nfs/dbraw/zinc/24/35/70/686243570.db2.gz UXXIRZUIKBCOSI-NEPJUHHUSA-N 0 3 369.815 2.106 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000876757293 686261491 /nfs/dbraw/zinc/26/14/91/686261491.db2.gz BSJGRMDVEUBXLE-NWDGAFQWSA-N 0 3 359.804 2.453 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000877013119 686309748 /nfs/dbraw/zinc/30/97/48/686309748.db2.gz KHLXZZIOXDICIB-CABCVRRESA-N 0 3 358.269 2.131 20 30 FEEDHN C[C@H](NC(=O)Nc1ccc(Br)c(C#N)n1)C1=CCN(C)CC1 ZINC000883101683 687564957 /nfs/dbraw/zinc/56/49/57/687564957.db2.gz QNKSJZGEISEMBF-JTQLQIEISA-N 0 3 364.247 2.488 20 30 FEEDHN C[C@H](Cc1nc2ccccc2s1)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884108814 687791207 /nfs/dbraw/zinc/79/12/07/687791207.db2.gz MTIFVUQOPQNEHT-GWMLXNDSSA-N 0 3 354.479 2.483 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@H](c1nccs1)c1ccccc1)C2 ZINC000884110264 687791676 /nfs/dbraw/zinc/79/16/76/687791676.db2.gz DSBFRSXTWRLIDN-IOSXPMGOSA-N 0 3 352.463 2.488 20 30 FEEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886109882 688204340 /nfs/dbraw/zinc/20/43/40/688204340.db2.gz UHRFZULJCIDMJA-HOCLYGCPSA-N 0 3 365.499 2.032 20 30 FEEDHN C#CCN(C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886577373 688278758 /nfs/dbraw/zinc/27/87/58/688278758.db2.gz GHORZLAUTREITB-CABCVRRESA-N 0 3 351.491 2.092 20 30 FEEDHN CC[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000902886656 690817092 /nfs/dbraw/zinc/81/70/92/690817092.db2.gz QSJBGLUFXXIONG-HOTGVXAUSA-N 0 3 364.492 2.495 20 30 FEEDHN N#Cc1cc(Cl)cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865714 721076336 /nfs/dbraw/zinc/07/63/36/721076336.db2.gz OUXJGDNWONJHOG-MSOLQXFVSA-N 0 3 369.856 2.481 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@@H]3C2)cn1 ZINC001164771482 721188254 /nfs/dbraw/zinc/18/82/54/721188254.db2.gz QLHHQIYLPBVFJL-CVEARBPZSA-N 0 3 361.453 2.126 20 30 FEEDHN COc1cc(C#N)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906323 721537221 /nfs/dbraw/zinc/53/72/21/721537221.db2.gz JSBLUBUGUMJVBG-QFBILLFUSA-N 0 3 368.412 2.443 20 30 FEEDHN C=CCn1cccc1C(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000488196978 857290710 /nfs/dbraw/zinc/29/07/10/857290710.db2.gz GCJACFPZXQWIQW-CQSZACIVSA-N 0 3 359.393 2.097 20 30 FEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CNc1ccc(C#N)cn1 ZINC000497880948 883816508 /nfs/dbraw/zinc/81/65/08/883816508.db2.gz KZOHTLQKHOPYBC-UHFFFAOYSA-N 0 3 355.417 2.095 20 30 FEEDHN CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCCCC1 ZINC000029720259 539862168 /nfs/dbraw/zinc/86/21/68/539862168.db2.gz HJNZRVGPXUQJSP-UHFFFAOYSA-N 0 3 359.474 2.158 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000054183103 540573947 /nfs/dbraw/zinc/57/39/47/540573947.db2.gz PGYDMDHKMBOURQ-SJORKVTESA-N 0 3 356.470 2.321 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](c2nccn2C)c2ccccc2F)CC1 ZINC000057154072 540773416 /nfs/dbraw/zinc/77/34/16/540773416.db2.gz ZXSIPRBUBINVPB-SFHVURJKSA-N 0 3 354.429 2.110 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC1 ZINC000057169011 540775298 /nfs/dbraw/zinc/77/52/98/540775298.db2.gz ICNGZNZCQJJMKB-UHFFFAOYSA-N 0 3 353.466 2.387 20 30 FEEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)COCc2ccco2)CC1 ZINC000058580496 540850094 /nfs/dbraw/zinc/85/00/94/540850094.db2.gz XWARBFOCHXKKIU-GOSISDBHSA-N 0 3 355.438 2.241 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)CC(C)(C)C ZINC000065930237 541272210 /nfs/dbraw/zinc/27/22/10/541272210.db2.gz LSNBUSSMCXIKBY-UHFFFAOYSA-N 0 3 358.486 2.001 20 30 FEEDHN C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)N1CCC[C@H](C)C1 ZINC000066240564 541294553 /nfs/dbraw/zinc/29/45/53/541294553.db2.gz FQAJMPQLRLYNFH-GJZGRUSLSA-N 0 3 366.469 2.176 20 30 FEEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000066473112 541323221 /nfs/dbraw/zinc/32/32/21/541323221.db2.gz HSSISJFZLHAEPW-UHOSZYNNSA-N 0 3 373.497 2.315 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC000066568303 541337401 /nfs/dbraw/zinc/33/74/01/541337401.db2.gz WDNMSXTVKJJKNL-UHFFFAOYSA-N 0 3 354.498 2.324 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000067265302 541437199 /nfs/dbraw/zinc/43/71/99/541437199.db2.gz AGJLZCGITJBLCZ-UHFFFAOYSA-N 0 3 358.486 2.033 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000067397559 541456669 /nfs/dbraw/zinc/45/66/69/541456669.db2.gz XHJAYNZGPCFRHK-HZPDHXFCSA-N 0 3 359.470 2.427 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCN1C ZINC000542960257 541508916 /nfs/dbraw/zinc/50/89/16/541508916.db2.gz VPSHLDPLGSQGSM-TZMCWYRMSA-N 0 3 356.405 2.487 20 30 FEEDHN COc1ccc(CNC(=O)CNCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000068258129 541569423 /nfs/dbraw/zinc/56/94/23/541569423.db2.gz KPWZPCWAPLVLRV-UHFFFAOYSA-N 0 3 366.465 2.451 20 30 FEEDHN C[C@H](OC[C@H]1CCCCO1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068309995 541575327 /nfs/dbraw/zinc/57/53/27/541575327.db2.gz NBACVUQRIWSKCG-FXAWDEMLSA-N 0 3 373.497 2.423 20 30 FEEDHN CN1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069383726 541681819 /nfs/dbraw/zinc/68/18/19/541681819.db2.gz OQAJRWPAZJJQAB-INIZCTEOSA-N 0 3 359.449 2.060 20 30 FEEDHN CN(CCCNS(=O)(=O)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000071891138 541775189 /nfs/dbraw/zinc/77/51/89/541775189.db2.gz HJNVTXIUKBCSBK-UHFFFAOYSA-N 0 3 357.479 2.500 20 30 FEEDHN Cc1nsc(N2CCCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000072801049 541868550 /nfs/dbraw/zinc/86/85/50/541868550.db2.gz CPCQMCKGSGYZDQ-UHFFFAOYSA-N 0 3 370.482 2.259 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)CCN1CCCC1 ZINC000545190825 541897290 /nfs/dbraw/zinc/89/72/90/541897290.db2.gz QCMCQGJRKMRXDY-UHFFFAOYSA-N 0 3 353.430 2.007 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000195625488 206332014 /nfs/dbraw/zinc/33/20/14/206332014.db2.gz QPYZMQCWPONWBV-RBSFLKMASA-N 0 3 372.513 2.279 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2C)CC1 ZINC000076526419 542289042 /nfs/dbraw/zinc/28/90/42/542289042.db2.gz YIMXOHVCJXTJNW-UHFFFAOYSA-N 0 3 359.470 2.487 20 30 FEEDHN N#Cc1ccc(CN2CCCN(c3cc(-n4ccnc4)ncn3)CC2)cc1 ZINC000077487020 542388230 /nfs/dbraw/zinc/38/82/30/542388230.db2.gz NKSXAQBBNCUALN-UHFFFAOYSA-N 0 3 359.437 2.246 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000079296182 542511004 /nfs/dbraw/zinc/51/10/04/542511004.db2.gz BQBOUVUWFRAOII-GOSISDBHSA-N 0 3 369.513 2.260 20 30 FEEDHN C=CCN1CCC(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 ZINC000080079592 542562775 /nfs/dbraw/zinc/56/27/75/542562775.db2.gz DBXXIEPQGBRKQQ-UHFFFAOYSA-N 0 3 364.515 2.437 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CCN(CCc2ccccn2)CC1 ZINC000081005999 542623035 /nfs/dbraw/zinc/62/30/35/542623035.db2.gz MVGAFLKHQQSYJJ-OAQYLSRUSA-N 0 3 371.529 2.075 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)C(C)C ZINC000081478407 542659252 /nfs/dbraw/zinc/65/92/52/542659252.db2.gz DPBHJHZCEDMXDL-GDBMZVCRSA-N 0 3 363.424 2.394 20 30 FEEDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083537889 542698168 /nfs/dbraw/zinc/69/81/68/542698168.db2.gz UGJUZMVLVYMHIQ-NSHDSACASA-N 0 3 361.389 2.149 20 30 FEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000083027314 542689682 /nfs/dbraw/zinc/68/96/82/542689682.db2.gz DFZSNYQDYHPGMN-BRWVUGGUSA-N 0 3 359.470 2.331 20 30 FEEDHN C=CCNC(=O)c1ccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)nc1 ZINC000089644437 542767448 /nfs/dbraw/zinc/76/74/48/542767448.db2.gz KDGYSLQFSOIUBP-MOPGFXCFSA-N 0 3 366.465 2.045 20 30 FEEDHN Cn1ccnc1[C@H](O)C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000089926003 542773466 /nfs/dbraw/zinc/77/34/66/542773466.db2.gz SIDQKKNRKVRDTM-LJQANCHMSA-N 0 3 367.453 2.066 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000089953579 542776819 /nfs/dbraw/zinc/77/68/19/542776819.db2.gz OMAPKOSCRIOAHZ-OAHLLOKOSA-N 0 3 352.438 2.302 20 30 FEEDHN C=CCc1cc(CN2CC[C@@H](N3CCN(CC)CC3)C2)cc(OC)c1O ZINC000093132884 542911374 /nfs/dbraw/zinc/91/13/74/542911374.db2.gz KMKVIWJDZVVNFJ-LJQANCHMSA-N 0 3 359.514 2.341 20 30 FEEDHN C=CCOc1cccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000103236885 543098722 /nfs/dbraw/zinc/09/87/22/543098722.db2.gz POJTYZKRBWWAIR-UHFFFAOYSA-N 0 3 372.469 2.023 20 30 FEEDHN C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C1CC1 ZINC000105264451 543167213 /nfs/dbraw/zinc/16/72/13/543167213.db2.gz WSKSPCTXTAJNIB-AWEZNQCLSA-N 0 3 359.449 2.012 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000106037252 543186070 /nfs/dbraw/zinc/18/60/70/543186070.db2.gz AJEXAHVJQBAPQR-IBGZPJMESA-N 0 3 369.509 2.234 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1 ZINC000106038508 543186272 /nfs/dbraw/zinc/18/62/72/543186272.db2.gz QZUYVWREBANFKL-UHFFFAOYSA-N 0 3 371.481 2.349 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(=O)NCCCC)C2)CC1 ZINC000106275638 543221785 /nfs/dbraw/zinc/22/17/85/543221785.db2.gz XQJSCUJSQDBXDJ-QGZVFWFLSA-N 0 3 364.534 2.365 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000106349405 543224670 /nfs/dbraw/zinc/22/46/70/543224670.db2.gz SDSBVIMZLKXSRX-UHFFFAOYSA-N 0 3 355.360 2.199 20 30 FEEDHN CC(C)[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N(C)C ZINC000106430119 543229867 /nfs/dbraw/zinc/22/98/67/543229867.db2.gz IWFFWCPAQUBDDH-INIZCTEOSA-N 0 3 371.441 2.041 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)ccc1Cl ZINC000106963494 543258513 /nfs/dbraw/zinc/25/85/13/543258513.db2.gz QAQMPCMVRTXJGH-CQSZACIVSA-N 0 3 360.845 2.283 20 30 FEEDHN COc1ccc(C[C@@H](NCC(=O)NCC#N)c2ccc(OC)cc2)cc1 ZINC000108851940 543305963 /nfs/dbraw/zinc/30/59/63/543305963.db2.gz OJJMGSHEYZTOIR-LJQANCHMSA-N 0 3 353.422 2.217 20 30 FEEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000111226787 543386629 /nfs/dbraw/zinc/38/66/29/543386629.db2.gz LTUYIGSCOJAIOB-HUUCEWRRSA-N 0 3 373.501 2.402 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000111511344 543405694 /nfs/dbraw/zinc/40/56/94/543405694.db2.gz COUAYALIUKGAHH-GOSISDBHSA-N 0 3 355.486 2.264 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000111910933 543424442 /nfs/dbraw/zinc/42/44/42/543424442.db2.gz ZRHHSVVKQXQPBH-OAHLLOKOSA-N 0 3 350.422 2.133 20 30 FEEDHN C#CCN1CCC(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000112186477 543433517 /nfs/dbraw/zinc/43/35/17/543433517.db2.gz MIYNOETYHWFMFX-UHFFFAOYSA-N 0 3 363.571 2.200 20 30 FEEDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000112699605 543457816 /nfs/dbraw/zinc/45/78/16/543457816.db2.gz YNMKKMVGSXCYPG-MSOLQXFVSA-N 0 3 373.497 2.172 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000113498125 543489493 /nfs/dbraw/zinc/48/94/93/543489493.db2.gz GMZGWVPLSIMFKK-SECBINFHSA-N 0 3 364.236 2.194 20 30 FEEDHN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CCN(C2CC2)CC1 ZINC000120899809 543685851 /nfs/dbraw/zinc/68/58/51/543685851.db2.gz STSKZMCKPLISTP-UHFFFAOYSA-N 0 3 359.426 2.445 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000118897877 543661874 /nfs/dbraw/zinc/66/18/74/543661874.db2.gz SXPBGNGUNAHRCR-HUUCEWRRSA-N 0 3 374.510 2.335 20 30 FEEDHN C=CCCS(=O)(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000119576324 543669435 /nfs/dbraw/zinc/66/94/35/543669435.db2.gz DPIAVCGGYXOIJY-MRXNPFEDSA-N 0 3 350.484 2.470 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000122256596 543704816 /nfs/dbraw/zinc/70/48/16/543704816.db2.gz GXFGNLWNRPSWMY-AWEZNQCLSA-N 0 3 353.403 2.467 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ncc(C)s1)C(C)C ZINC000123359990 543757051 /nfs/dbraw/zinc/75/70/51/543757051.db2.gz YLAVSXIQMWPGSU-AWEZNQCLSA-N 0 3 350.488 2.205 20 30 FEEDHN COc1cc(OC)cc(OCCNCc2cnc3ccc(C#N)cn23)c1 ZINC000124536684 543828631 /nfs/dbraw/zinc/82/86/31/543828631.db2.gz CUEMCAVLICWUOS-UHFFFAOYSA-N 0 3 352.394 2.392 20 30 FEEDHN C=C(C)CN(CC)[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000125957036 543911400 /nfs/dbraw/zinc/91/14/00/543911400.db2.gz YKLLVTAYXQPFAX-SFHVURJKSA-N 0 3 359.514 2.422 20 30 FEEDHN C=C[C@H](CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000125575968 543890089 /nfs/dbraw/zinc/89/00/89/543890089.db2.gz VFOQHZMTTYJBDS-IEBWSBKVSA-N 0 3 357.498 2.405 20 30 FEEDHN C=CC[C@@H](C)[C@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127777936 544013261 /nfs/dbraw/zinc/01/32/61/544013261.db2.gz UEFLGKSSYRJJKX-SJORKVTESA-N 0 3 365.543 2.313 20 30 FEEDHN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000128221066 544039933 /nfs/dbraw/zinc/03/99/33/544039933.db2.gz SCMODJZVXYPOCB-LBPRGKRZSA-N 0 3 366.849 2.027 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)c1C#N ZINC000128526761 544057476 /nfs/dbraw/zinc/05/74/76/544057476.db2.gz OKOSDTIZNOGVTL-INIZCTEOSA-N 0 3 356.470 2.432 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2[C@@H]3CC[C@H]2CN(CC)CC3)c1 ZINC000133295558 544263733 /nfs/dbraw/zinc/26/37/33/544263733.db2.gz XJQVBEBODSXLLP-SJORKVTESA-N 0 3 357.454 2.275 20 30 FEEDHN N#Cc1ccc(CN2CCC(N[C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000134870566 544324710 /nfs/dbraw/zinc/32/47/10/544324710.db2.gz SKJADAQFZNRFDV-HXUWFJFHSA-N 0 3 366.440 2.478 20 30 FEEDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000247508707 549347559 /nfs/dbraw/zinc/34/75/59/549347559.db2.gz MZFDZRFJFKVREQ-SWLSCSKDSA-N 0 3 353.875 2.316 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000146590585 544440303 /nfs/dbraw/zinc/44/03/03/544440303.db2.gz DHLXGRZMQTYATB-CYBMUJFWSA-N 0 3 373.400 2.436 20 30 FEEDHN C[C@H](CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000150216477 544462199 /nfs/dbraw/zinc/46/21/99/544462199.db2.gz CMDPRNUVMVXRFO-CYBMUJFWSA-N 0 3 370.413 2.052 20 30 FEEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000152573847 544669853 /nfs/dbraw/zinc/66/98/53/544669853.db2.gz KDFXOWJGPOTKAZ-INIZCTEOSA-N 0 3 360.376 2.313 20 30 FEEDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000152945726 544715147 /nfs/dbraw/zinc/71/51/47/544715147.db2.gz FQSVXOIXNDBKKV-QZTJIDSGSA-N 0 3 357.454 2.139 20 30 FEEDHN N#Cc1ccnc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1Cl ZINC000553082288 674237811 /nfs/dbraw/zinc/23/78/11/674237811.db2.gz YHXSJBYLGPTDTP-SJORKVTESA-N 0 3 356.857 2.902 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185519731 327920510 /nfs/dbraw/zinc/92/05/10/327920510.db2.gz BDSRQVSAVCHPJH-IBGZPJMESA-N 0 3 352.434 2.282 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CNC[C@H]1COC2(CCOCC2)O1 ZINC000188231910 328074898 /nfs/dbraw/zinc/07/48/98/328074898.db2.gz YYKLTKWJWLLQKO-FQEVSTJZSA-N 0 3 367.449 2.420 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)N3CCC(C)CC3)CC2)o1 ZINC000189268162 328138060 /nfs/dbraw/zinc/13/80/60/328138060.db2.gz ZWRSWABSUYZICC-OAHLLOKOSA-N 0 3 373.501 2.308 20 30 FEEDHN C[C@@H](O)CN1CCN(Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000192959952 328349271 /nfs/dbraw/zinc/34/92/71/328349271.db2.gz APWLOKMAAMIHFI-QWHCGFSZSA-N 0 3 352.276 2.208 20 30 FEEDHN CCCCN(C)C(=O)C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000052185831 324712058 /nfs/dbraw/zinc/71/20/58/324712058.db2.gz CQIKKKQIYJTNPE-IBGZPJMESA-N 0 3 373.497 2.268 20 30 FEEDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000116347493 326008656 /nfs/dbraw/zinc/00/86/56/326008656.db2.gz RWIXRQABTJPGTA-GFCCVEGCSA-N 0 3 361.389 2.292 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000119295051 326146158 /nfs/dbraw/zinc/14/61/58/326146158.db2.gz LVVLVMOIDJRBGH-PBHICJAKSA-N 0 3 372.469 2.083 20 30 FEEDHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000123012551 326417126 /nfs/dbraw/zinc/41/71/26/326417126.db2.gz WBTAPJGQSQRFRY-UHFFFAOYSA-N 0 3 374.828 2.334 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnc(N(C)C)nc1 ZINC000154858514 326770846 /nfs/dbraw/zinc/77/08/46/326770846.db2.gz MDNOEQRHRUISGY-UHFFFAOYSA-N 0 3 367.457 2.010 20 30 FEEDHN N#Cc1ccccc1OCC(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000158334733 326892603 /nfs/dbraw/zinc/89/26/03/326892603.db2.gz IMNANKJPNGFRBP-SFHVURJKSA-N 0 3 357.454 2.040 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000162320407 327022557 /nfs/dbraw/zinc/02/25/57/327022557.db2.gz HCTMXLMFOSUBBH-HNNXBMFYSA-N 0 3 351.447 2.134 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cn1 ZINC000171082277 327116348 /nfs/dbraw/zinc/11/63/48/327116348.db2.gz DNGGCPYJUJYMTB-UHFFFAOYSA-N 0 3 370.478 2.144 20 30 FEEDHN CN(C)CCN1CCC(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000171145959 327120630 /nfs/dbraw/zinc/12/06/30/327120630.db2.gz DEJPIOOUNAOBGD-UHFFFAOYSA-N 0 3 360.506 2.262 20 30 FEEDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000174009488 327301087 /nfs/dbraw/zinc/30/10/87/327301087.db2.gz UOJIADQLCJCBKL-ZDUSSCGKSA-N 0 3 374.422 2.096 20 30 FEEDHN COc1ccc([C@@H](CNCc2ccc(C#N)o2)N2CCOCC2)cc1OC ZINC000174246979 327315307 /nfs/dbraw/zinc/31/53/07/327315307.db2.gz PWTNJSBOMQMCCY-GOSISDBHSA-N 0 3 371.437 2.332 20 30 FEEDHN CC(C)CC(=O)NCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000265852843 329166539 /nfs/dbraw/zinc/16/65/39/329166539.db2.gz BCLYNJILMQDHLX-UHFFFAOYSA-N 0 3 358.486 2.001 20 30 FEEDHN N#Cc1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000267963194 329372127 /nfs/dbraw/zinc/37/21/27/329372127.db2.gz UBNGTYGLERCZSN-GOSISDBHSA-N 0 3 352.394 2.298 20 30 FEEDHN CCN(CC)C(=O)CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000267972581 329373100 /nfs/dbraw/zinc/37/31/00/329373100.db2.gz VIKIMARVVQPOMH-UHFFFAOYSA-N 0 3 358.486 2.097 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000268171940 329393134 /nfs/dbraw/zinc/39/31/34/329393134.db2.gz QVHVISKJYGQHCX-HNAYVOBHSA-N 0 3 356.470 2.199 20 30 FEEDHN CC(C)(C)OC(=O)NC[C@H](NCC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000273222631 329846716 /nfs/dbraw/zinc/84/67/16/329846716.db2.gz DHXJFCJIWHRXRI-KRWDZBQOSA-N 0 3 372.469 2.067 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCCC2)c1 ZINC000364813564 330206962 /nfs/dbraw/zinc/20/69/62/330206962.db2.gz AXAJJYXYQDJDRT-SFHVURJKSA-N 0 3 354.454 2.364 20 30 FEEDHN CSC[C@](C)(C#N)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000554776900 674335985 /nfs/dbraw/zinc/33/59/85/674335985.db2.gz VMOGPBWLTKFQMG-IBGZPJMESA-N 0 3 360.527 2.350 20 30 FEEDHN C#CCN1CCC(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000155349569 545515627 /nfs/dbraw/zinc/51/56/27/545515627.db2.gz JUUAXSJZJDNRLD-KRWDZBQOSA-N 0 3 354.498 2.068 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)C(C)C ZINC000156581989 545637350 /nfs/dbraw/zinc/63/73/50/545637350.db2.gz RGAIHZLITCVIPM-GVDBMIGSSA-N 0 3 350.507 2.028 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1C#N ZINC000160180631 546014988 /nfs/dbraw/zinc/01/49/88/546014988.db2.gz COIZGDVALQONMI-HNNXBMFYSA-N 0 3 372.469 2.132 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000163493900 546146074 /nfs/dbraw/zinc/14/60/74/546146074.db2.gz JFRITXXWOXUQRN-WBVHZDCISA-N 0 3 352.442 2.439 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNC(=O)C2(C#N)CCCCC2)c1 ZINC000171285966 546200811 /nfs/dbraw/zinc/20/08/11/546200811.db2.gz YCGJPYGKZQTFKX-UHFFFAOYSA-N 0 3 356.470 2.068 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171305600 546202823 /nfs/dbraw/zinc/20/28/23/546202823.db2.gz IKWAVUVSUXXHMP-FHWLQOOXSA-N 0 3 363.546 2.397 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000171720191 546220610 /nfs/dbraw/zinc/22/06/10/546220610.db2.gz YMMNQLWEGFQTTL-SFHVURJKSA-N 0 3 356.470 2.450 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000171714861 546220873 /nfs/dbraw/zinc/22/08/73/546220873.db2.gz IDXWDIQHEAVNHK-QGZVFWFLSA-N 0 3 361.511 2.048 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CC1 ZINC000171724062 546222233 /nfs/dbraw/zinc/22/22/33/546222233.db2.gz NGUZNSYDVOLTHZ-LJQANCHMSA-N 0 3 359.470 2.029 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCc3c(cccc3NC(C)=O)C2)CC1 ZINC000171740432 546223699 /nfs/dbraw/zinc/22/36/99/546223699.db2.gz CFRVPXGROTVAEI-UHFFFAOYSA-N 0 3 356.470 2.363 20 30 FEEDHN Cc1ccccc1CN1CCC(NC(=O)CN(CCC#N)CCC#N)CC1 ZINC000172623578 546261858 /nfs/dbraw/zinc/26/18/58/546261858.db2.gz RWMFJVNCFIXYIL-UHFFFAOYSA-N 0 3 367.497 2.205 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000173160751 546274880 /nfs/dbraw/zinc/27/48/80/546274880.db2.gz ICQVTHDZRVXRCW-HXUWFJFHSA-N 0 3 357.498 2.044 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OC(F)F)CC1 ZINC000173275990 546277004 /nfs/dbraw/zinc/27/70/04/546277004.db2.gz UBLOIHXZGBVGGV-UHFFFAOYSA-N 0 3 371.359 2.132 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000175619713 546321599 /nfs/dbraw/zinc/32/15/99/546321599.db2.gz MCDLDQLZFNQPSQ-MRXNPFEDSA-N 0 3 373.501 2.352 20 30 FEEDHN CN(C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000175950643 546377758 /nfs/dbraw/zinc/37/77/58/546377758.db2.gz QQQNUQQHYWFYFF-UHFFFAOYSA-N 0 3 354.385 2.014 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000481020985 561223220 /nfs/dbraw/zinc/22/32/20/561223220.db2.gz VLEWLFZIRABZIU-UMVBOHGHSA-N 0 3 365.455 2.045 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000177994698 546719602 /nfs/dbraw/zinc/71/96/02/546719602.db2.gz RXWMOELMTRDQIR-HNNXBMFYSA-N 0 3 354.458 2.278 20 30 FEEDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000178251726 546764942 /nfs/dbraw/zinc/76/49/42/546764942.db2.gz WETUOEVKPSTCBB-HOTGVXAUSA-N 0 3 356.470 2.305 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000178448893 546795992 /nfs/dbraw/zinc/79/59/92/546795992.db2.gz RNHOMRYPTWCYEQ-CQSZACIVSA-N 0 3 356.470 2.432 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCN1CCCC1 ZINC000178500220 546803595 /nfs/dbraw/zinc/80/35/95/546803595.db2.gz OXPUUVMFGZRBHO-UHFFFAOYSA-N 0 3 361.389 2.341 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3nc(C)c(C)s3)CC2)CC1 ZINC000178830020 546857332 /nfs/dbraw/zinc/85/73/32/546857332.db2.gz NXDIQTRYUUTZJH-UHFFFAOYSA-N 0 3 363.531 2.242 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1 ZINC000180522586 547123880 /nfs/dbraw/zinc/12/38/80/547123880.db2.gz YXLXMVQRMVDPRD-UHFFFAOYSA-N 0 3 363.824 2.440 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](C(C)(C)C)C3)CC2)o1 ZINC000483257829 561272055 /nfs/dbraw/zinc/27/20/55/561272055.db2.gz SDODSDMUZPLTOS-MRXNPFEDSA-N 0 3 373.501 2.261 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](CCO)C2CCCCC2)cc1 ZINC000181498242 547323521 /nfs/dbraw/zinc/32/35/21/547323521.db2.gz OBNSVAQLJPIQMB-GOSISDBHSA-N 0 3 350.484 2.253 20 30 FEEDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000181613448 547344787 /nfs/dbraw/zinc/34/47/87/547344787.db2.gz IEYZDFLLPXEJNN-ZDUSSCGKSA-N 0 3 374.422 2.096 20 30 FEEDHN C[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182622616 547523205 /nfs/dbraw/zinc/52/32/05/547523205.db2.gz SCAYGSURZXQGDK-APWZRJJASA-N 0 3 358.461 2.409 20 30 FEEDHN C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1cccc(-n2cccn2)c1 ZINC000183606198 547688629 /nfs/dbraw/zinc/68/86/29/547688629.db2.gz GJUIQIHNRCQRTR-MRXNPFEDSA-N 0 3 350.426 2.179 20 30 FEEDHN CCO[C@@H]1COCC[C@@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000484615170 561301188 /nfs/dbraw/zinc/30/11/88/561301188.db2.gz LIGCFRSNKDWADL-DLBZAZTESA-N 0 3 365.861 2.370 20 30 FEEDHN N#Cc1cccc(/C=C/C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000183784202 547719709 /nfs/dbraw/zinc/71/97/09/547719709.db2.gz QDJRZYGAFVHSKQ-SHBDEGQCSA-N 0 3 361.445 2.454 20 30 FEEDHN CCN(CCO)CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000183952896 547744337 /nfs/dbraw/zinc/74/43/37/547744337.db2.gz QJNOOZYDGOOLFH-UHFFFAOYSA-N 0 3 353.422 2.395 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000184221647 547790035 /nfs/dbraw/zinc/79/00/35/547790035.db2.gz PBBFURTUUFSUQN-UHFFFAOYSA-N 0 3 374.554 2.324 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000184393608 547819262 /nfs/dbraw/zinc/81/92/62/547819262.db2.gz VGQRWQONQPXZMI-SFHVURJKSA-N 0 3 372.513 2.250 20 30 FEEDHN CCOC(=O)N1CC[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000185769784 548033992 /nfs/dbraw/zinc/03/39/92/548033992.db2.gz AUPAXZNTPQYZAF-KRWDZBQOSA-N 0 3 353.426 2.279 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000185838484 548043783 /nfs/dbraw/zinc/04/37/83/548043783.db2.gz JNRWAISVCCKVAE-RBSFLKMASA-N 0 3 365.499 2.212 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc(CC#N)c1 ZINC000188167527 548273924 /nfs/dbraw/zinc/27/39/24/548273924.db2.gz GUVGMRQJODJCEG-JOCHJYFZSA-N 0 3 363.461 2.462 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000189391506 548302557 /nfs/dbraw/zinc/30/25/57/548302557.db2.gz MKKOYJCPXVWHOZ-UHFFFAOYSA-N 0 3 374.441 2.408 20 30 FEEDHN C=C(C)CS(=O)(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000189554930 548304627 /nfs/dbraw/zinc/30/46/27/548304627.db2.gz OQIMNVMYYFVBFV-MRXNPFEDSA-N 0 3 350.484 2.470 20 30 FEEDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000190066241 548316592 /nfs/dbraw/zinc/31/65/92/548316592.db2.gz CGHZJYRNWSZNAE-FGTMMUONSA-N 0 3 366.575 2.333 20 30 FEEDHN CN(C)CCn1ccc(NC(=O)Nc2ncccc2OCCCC#N)n1 ZINC000191683929 548349170 /nfs/dbraw/zinc/34/91/70/548349170.db2.gz GLUCDOVBNRPJJQ-UHFFFAOYSA-N 0 3 357.418 2.166 20 30 FEEDHN COc1cccc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1O ZINC000192242710 548360849 /nfs/dbraw/zinc/36/08/49/548360849.db2.gz OCVQKDDIQWSECI-KRWDZBQOSA-N 0 3 351.406 2.163 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](Cn4cncn4)C3)C2=O)cc1 ZINC000245513399 548937625 /nfs/dbraw/zinc/93/76/25/548937625.db2.gz AHBQWPBKFBGUPB-MJGOQNOKSA-N 0 3 364.453 2.057 20 30 FEEDHN C[C@H](O)CN1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC000245564151 548948076 /nfs/dbraw/zinc/94/80/76/548948076.db2.gz YVHASOJKSJQYLD-STQMWFEESA-N 0 3 352.276 2.208 20 30 FEEDHN Cn1cc(C#N)cc1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000246289321 549097553 /nfs/dbraw/zinc/09/75/53/549097553.db2.gz AYAYJYIZNKWJKX-FQEVSTJZSA-N 0 3 365.481 2.005 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)CC1 ZINC000246778088 549210019 /nfs/dbraw/zinc/21/00/19/549210019.db2.gz ZDVGKTDBIKUXOB-OJLQRUNKSA-N 0 3 355.548 2.406 20 30 FEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000249163886 549564076 /nfs/dbraw/zinc/56/40/76/549564076.db2.gz JUAWFAKLDCNKKK-CRAIPNDOSA-N 0 3 372.469 2.106 20 30 FEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000252656445 549676246 /nfs/dbraw/zinc/67/62/46/549676246.db2.gz GKKIFKIAGQWFQX-IRXDYDNUSA-N 0 3 357.502 2.406 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000253357942 549683532 /nfs/dbraw/zinc/68/35/32/549683532.db2.gz JNWYZWGJWRBQAQ-CABCVRRESA-N 0 3 372.469 2.132 20 30 FEEDHN CC(C)C(=O)NC[C@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000263789781 549937444 /nfs/dbraw/zinc/93/74/44/549937444.db2.gz XDXDFQULFZQHPN-MRXNPFEDSA-N 0 3 356.470 2.371 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)c2c(F)cccc2F)CC1 ZINC000265267246 550008089 /nfs/dbraw/zinc/00/80/89/550008089.db2.gz UEFPHHBRPPRTBY-MRXNPFEDSA-N 0 3 353.413 2.338 20 30 FEEDHN COCCN1CC[C@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000265469909 550010171 /nfs/dbraw/zinc/01/01/71/550010171.db2.gz HUWORRDDPCOQIT-FQEVSTJZSA-N 0 3 364.449 2.324 20 30 FEEDHN C=CCOCCCC(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000266279571 550018946 /nfs/dbraw/zinc/01/89/46/550018946.db2.gz UHYLRDIWTJQBRE-UHFFFAOYSA-N 0 3 359.514 2.423 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000268423646 550063505 /nfs/dbraw/zinc/06/35/05/550063505.db2.gz WGHFADSLZGCRQY-UHFFFAOYSA-N 0 3 357.454 2.105 20 30 FEEDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000492021128 561448898 /nfs/dbraw/zinc/44/88/98/561448898.db2.gz DYUIHTOBASZCEF-UHFFFAOYSA-N 0 3 350.488 2.228 20 30 FEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000269699952 550218119 /nfs/dbraw/zinc/21/81/19/550218119.db2.gz YCEJWVUBSYBOTQ-AZUAARDMSA-N 0 3 352.482 2.123 20 30 FEEDHN N#CCc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000270862209 550314764 /nfs/dbraw/zinc/31/47/64/550314764.db2.gz NEAOGIQLCXOUPE-SFTDATJTSA-N 0 3 363.461 2.365 20 30 FEEDHN C[C@H]1OCC[C@]1(C)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000494207095 561464662 /nfs/dbraw/zinc/46/46/62/561464662.db2.gz BAQGDFBKZMNLOD-DYVFJYSZSA-N 0 3 354.372 2.330 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN(C)CCOCCCOC)c(OC)c1 ZINC000271553399 550384821 /nfs/dbraw/zinc/38/48/21/550384821.db2.gz YVPSKVVXLGPYFA-GOSISDBHSA-N 0 3 367.486 2.148 20 30 FEEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCSC[C@H]3C#N)cc2)CC1 ZINC000271726802 550397946 /nfs/dbraw/zinc/39/79/46/550397946.db2.gz MQUIQHRPJJPVSJ-GOSISDBHSA-N 0 3 358.511 2.298 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000271770610 550400646 /nfs/dbraw/zinc/40/06/46/550400646.db2.gz ITCCYLHVPKFFLE-PKOBYXMFSA-N 0 3 354.454 2.400 20 30 FEEDHN C#CCCN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000272023594 550416600 /nfs/dbraw/zinc/41/66/00/550416600.db2.gz NOPMBWVSHPHJIK-UHFFFAOYSA-N 0 3 354.410 2.433 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272567940 550458145 /nfs/dbraw/zinc/45/81/45/550458145.db2.gz VAHVYWVYYAPCCB-DLBZAZTESA-N 0 3 357.454 2.278 20 30 FEEDHN CC1(C#N)CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000272750192 550468533 /nfs/dbraw/zinc/46/85/33/550468533.db2.gz IRTRJDKTMFSFOK-SFHVURJKSA-N 0 3 356.470 2.088 20 30 FEEDHN CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000273466778 550499566 /nfs/dbraw/zinc/49/95/66/550499566.db2.gz NUVXFZQNMDGRHX-MRXNPFEDSA-N 0 3 350.463 2.320 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000274593258 550545221 /nfs/dbraw/zinc/54/52/21/550545221.db2.gz RFRIZWKEXIRFEW-UHFFFAOYSA-N 0 3 356.470 2.266 20 30 FEEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCC(=O)N(CCC#N)CCC#N ZINC000274867299 550560921 /nfs/dbraw/zinc/56/09/21/550560921.db2.gz URGVCKDFHRFNTF-HXUWFJFHSA-N 0 3 369.513 2.389 20 30 FEEDHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC#Cc1ccccc1 ZINC000276526602 550579052 /nfs/dbraw/zinc/57/90/52/550579052.db2.gz FKMCGORKFPHQMD-QFIPXVFZSA-N 0 3 359.429 2.235 20 30 FEEDHN CC1(C)CN(CCNCc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278542386 550797503 /nfs/dbraw/zinc/79/75/03/550797503.db2.gz ABYSBKRXWUUXMJ-UHFFFAOYSA-N 0 3 368.485 2.059 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000278573769 550800452 /nfs/dbraw/zinc/80/04/52/550800452.db2.gz JNMYPKHIVNLPTP-GXTWGEPZSA-N 0 3 351.428 2.015 20 30 FEEDHN CCCNC(=O)[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279608490 550908055 /nfs/dbraw/zinc/90/80/55/550908055.db2.gz SXSASEUJERXMNP-QZTJIDSGSA-N 0 3 352.438 2.005 20 30 FEEDHN N#Cc1ccc(CN2CCN(C(=O)C3CCN(C4CC4)CC3)CC2)cc1 ZINC000279681097 550916238 /nfs/dbraw/zinc/91/62/38/550916238.db2.gz HBJQUXJZPLMHIC-UHFFFAOYSA-N 0 3 352.482 2.077 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000280158153 550966321 /nfs/dbraw/zinc/96/63/21/550966321.db2.gz BDZOJOLBDRDHFJ-VQTJNVASSA-N 0 3 360.417 2.453 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000280412185 550991144 /nfs/dbraw/zinc/99/11/44/550991144.db2.gz OWMXPZMOJVKJSE-FQEVSTJZSA-N 0 3 374.444 2.291 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(=O)NC)cc2C)CC1 ZINC000280587037 551010343 /nfs/dbraw/zinc/01/03/43/551010343.db2.gz VKOKIHZSXRGXCF-UHFFFAOYSA-N 0 3 374.485 2.282 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2OCCN(C)C)C1=O ZINC000281358303 551088249 /nfs/dbraw/zinc/08/82/49/551088249.db2.gz LYPWWYVHUKMODH-KRWDZBQOSA-N 0 3 374.485 2.186 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000281425293 551095834 /nfs/dbraw/zinc/09/58/34/551095834.db2.gz DIWXZYHIKLGNQH-RBSFLKMASA-N 0 3 351.328 2.155 20 30 FEEDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000281877292 551152021 /nfs/dbraw/zinc/15/20/21/551152021.db2.gz BCVMIZBDMGSPBY-LBPRGKRZSA-N 0 3 361.389 2.292 20 30 FEEDHN CN(C)CCOc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000282083675 551178454 /nfs/dbraw/zinc/17/84/54/551178454.db2.gz RJWKNLAOFOUBRM-UHFFFAOYSA-N 0 3 372.469 2.012 20 30 FEEDHN C=CCn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000282288231 551207090 /nfs/dbraw/zinc/20/70/90/551207090.db2.gz NOPWIHNDZYAUJT-QGZVFWFLSA-N 0 3 353.470 2.290 20 30 FEEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)CCOCCO)sc2C1 ZINC000282489643 551236391 /nfs/dbraw/zinc/23/63/91/551236391.db2.gz MYWQSSNWEVCYNG-CYBMUJFWSA-N 0 3 365.499 2.014 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000283951723 551456442 /nfs/dbraw/zinc/45/64/42/551456442.db2.gz LFEODKTYMXEPND-UHFFFAOYSA-N 0 3 368.481 2.040 20 30 FEEDHN C=CCCO[C@H](C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000498532172 561527182 /nfs/dbraw/zinc/52/71/82/561527182.db2.gz BHRBDHXAIGTIBF-GOSISDBHSA-N 0 3 359.514 2.422 20 30 FEEDHN CN(CCCN(C)C[C@@H](O)COc1ccc(C#N)cc1)Cc1ccco1 ZINC000285522083 551769694 /nfs/dbraw/zinc/76/96/94/551769694.db2.gz DYQLFFUQAZXYCP-GOSISDBHSA-N 0 3 357.454 2.345 20 30 FEEDHN CCOc1cccc(/C=N/C(CS(=O)(=O)N(C)C)C(F)(F)F)c1O ZINC000285627415 551785730 /nfs/dbraw/zinc/78/57/30/551785730.db2.gz VXFKRZSSVWWERP-VGTRTNLYSA-N 0 3 368.377 2.032 20 30 FEEDHN N#Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1F ZINC000285875881 551822208 /nfs/dbraw/zinc/82/22/08/551822208.db2.gz WFOPZXWGQNGXSQ-ICSRJNTNSA-N 0 3 367.424 2.310 20 30 FEEDHN COc1cc(OC)c2ncc(C#N)c(NCCCN3CCN(C)CC3)c2c1 ZINC000285957934 551831963 /nfs/dbraw/zinc/83/19/63/551831963.db2.gz AHFXJZJRUWKTPJ-UHFFFAOYSA-N 0 3 369.469 2.173 20 30 FEEDHN N#Cc1ccc(N2CCC(NCC(=O)NCCc3ccccc3)CC2)cc1 ZINC000286033043 551840870 /nfs/dbraw/zinc/84/08/70/551840870.db2.gz JHKUSFNJUOUVDX-UHFFFAOYSA-N 0 3 362.477 2.476 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286065188 551844683 /nfs/dbraw/zinc/84/46/83/551844683.db2.gz RRLKXAPTYZSBBD-VAMGGRTRSA-N 0 3 366.465 2.147 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cccc(OCC(C)C)c2)CC1 ZINC000286227545 551863238 /nfs/dbraw/zinc/86/32/38/551863238.db2.gz YCGXVGLIWZIQOP-UHFFFAOYSA-N 0 3 373.497 2.104 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000286451348 551887026 /nfs/dbraw/zinc/88/70/26/551887026.db2.gz HNNLZZJLIPWCER-LJQANCHMSA-N 0 3 369.509 2.234 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000286624290 551907414 /nfs/dbraw/zinc/90/74/14/551907414.db2.gz MBBBZPZJAASSSM-INIZCTEOSA-N 0 3 373.497 2.371 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2ccccc2SC)CC1 ZINC000286849302 551932975 /nfs/dbraw/zinc/93/29/75/551932975.db2.gz YRQOKVDZZNUXGU-UHFFFAOYSA-N 0 3 361.511 2.134 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000286964140 551945584 /nfs/dbraw/zinc/94/55/84/551945584.db2.gz AZFNZZNXIXLFAJ-MLGOLLRUSA-N 0 3 363.439 2.015 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000287201713 551975848 /nfs/dbraw/zinc/97/58/48/551975848.db2.gz UQMARPKUBJCMBY-UHFFFAOYSA-N 0 3 373.497 2.058 20 30 FEEDHN CN(CCC1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287642326 552029198 /nfs/dbraw/zinc/02/91/98/552029198.db2.gz BZJOAJSIZLWQPM-UHFFFAOYSA-N 0 3 374.466 2.473 20 30 FEEDHN N#Cc1cc(Br)ccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000287808225 552049188 /nfs/dbraw/zinc/04/91/88/552049188.db2.gz OYJHLDZDERWFDO-AWEZNQCLSA-N 0 3 364.287 2.475 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289120926 552269370 /nfs/dbraw/zinc/26/93/70/552269370.db2.gz QHPUMIQOWMXKEV-OCCSQVGLSA-N 0 3 360.845 2.235 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000291028024 552577765 /nfs/dbraw/zinc/57/77/65/552577765.db2.gz OKKVDFKJXTZFCW-CTNGQTDRSA-N 0 3 357.498 2.492 20 30 FEEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000291048491 552580516 /nfs/dbraw/zinc/58/05/16/552580516.db2.gz OSEVZJMAHHBBSC-QGZVFWFLSA-N 0 3 369.517 2.066 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291338922 552616457 /nfs/dbraw/zinc/61/64/57/552616457.db2.gz WHATUOHDMRVPSN-KNQAVFIVSA-N 0 3 359.429 2.403 20 30 FEEDHN C=CCN(CCC#N)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000292176585 552701440 /nfs/dbraw/zinc/70/14/40/552701440.db2.gz MEOCHVHQXBYBMI-UHFFFAOYSA-N 0 3 354.498 2.431 20 30 FEEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nnn1C(C)C ZINC000292290964 552712894 /nfs/dbraw/zinc/71/28/94/552712894.db2.gz PGQFLEXGAGVBIU-UHFFFAOYSA-N 0 3 354.458 2.243 20 30 FEEDHN C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)N1CCCC[C@@H]1C ZINC000501533572 561599886 /nfs/dbraw/zinc/59/98/86/561599886.db2.gz RQQQPFMAUSHHBO-DLBZAZTESA-N 0 3 370.501 2.048 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000293434308 552823256 /nfs/dbraw/zinc/82/32/56/552823256.db2.gz UOWATTJRCSRGJR-FQEVSTJZSA-N 0 3 366.461 2.324 20 30 FEEDHN CN1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000293453049 552825484 /nfs/dbraw/zinc/82/54/84/552825484.db2.gz SVXYOZDJJKELHX-OAQYLSRUSA-N 0 3 368.481 2.371 20 30 FEEDHN C#CCN(C)CCCNC(=O)COc1ccccc1OCC(F)(F)F ZINC000294087738 552880881 /nfs/dbraw/zinc/88/08/81/552880881.db2.gz XICVBSRGFCOFJD-UHFFFAOYSA-N 0 3 358.360 2.078 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295205513 552969653 /nfs/dbraw/zinc/96/96/53/552969653.db2.gz LKQSWGFVHLTZKY-HNNXBMFYSA-N 0 3 372.494 2.335 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000295558267 553026010 /nfs/dbraw/zinc/02/60/10/553026010.db2.gz KVDZNZOHMDEFRS-DLBZAZTESA-N 0 3 362.433 2.168 20 30 FEEDHN N#C[C@]1(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC12CCCC2 ZINC000295721252 553049956 /nfs/dbraw/zinc/04/99/56/553049956.db2.gz UHLPLUINPDKFHO-NQIIRXRSSA-N 0 3 353.466 2.343 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295980973 553084680 /nfs/dbraw/zinc/08/46/80/553084680.db2.gz LALLTRFFULPKKW-CXAGYDPISA-N 0 3 351.447 2.086 20 30 FEEDHN CC1(C)[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000296089819 553102909 /nfs/dbraw/zinc/10/29/09/553102909.db2.gz HJJHQLAAEJETPM-JQHSSLGASA-N 0 3 365.437 2.086 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000296393015 553152447 /nfs/dbraw/zinc/15/24/47/553152447.db2.gz IKDQWUPMVBAPGO-CQSZACIVSA-N 0 3 371.441 2.061 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000296943658 553233103 /nfs/dbraw/zinc/23/31/03/553233103.db2.gz TZSVNUVOLJCMLY-INIZCTEOSA-N 0 3 372.469 2.132 20 30 FEEDHN N#Cc1cnc2ccccc2c1N1CCN(C[C@@H]2CCNC(=O)CC2)CC1 ZINC000296987737 553239166 /nfs/dbraw/zinc/23/91/66/553239166.db2.gz FBDZWKAFYJZJNL-INIZCTEOSA-N 0 3 363.465 2.145 20 30 FEEDHN COc1cc2nccc(NCCCc3[nH]nc(N)c3C#N)c2cc1OC ZINC000298177608 553394520 /nfs/dbraw/zinc/39/45/20/553394520.db2.gz GHCYBSHUVLEATJ-UHFFFAOYSA-N 0 3 352.398 2.474 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(OCC(N)=O)c1)C(C)C ZINC000298477881 553429665 /nfs/dbraw/zinc/42/96/65/553429665.db2.gz FGJUXWMBWZCKLX-GOSISDBHSA-N 0 3 374.485 2.371 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC000298557192 553439977 /nfs/dbraw/zinc/43/99/77/553439977.db2.gz YSDMURRLULSTFR-HZPDHXFCSA-N 0 3 364.371 2.383 20 30 FEEDHN COC[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000298582807 553444262 /nfs/dbraw/zinc/44/42/62/553444262.db2.gz RDUSIBZXQOEWGB-CVEARBPZSA-N 0 3 351.834 2.324 20 30 FEEDHN N#Cc1cccc(C2(NCCC(=O)Nc3sccc3C(N)=O)CC2)c1 ZINC000299011778 553503125 /nfs/dbraw/zinc/50/31/25/553503125.db2.gz QSSDCYPRYXNSLI-UHFFFAOYSA-N 0 3 354.435 2.326 20 30 FEEDHN CCCCCC(=O)NC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000299577512 553583676 /nfs/dbraw/zinc/58/36/76/553583676.db2.gz QNTITJVZKJUNQD-IBGZPJMESA-N 0 3 373.497 2.459 20 30 FEEDHN N#CCC[C@@H](C#N)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000299590634 553585653 /nfs/dbraw/zinc/58/56/53/553585653.db2.gz SWDSYULCLIJVPQ-PMACEKPBSA-N 0 3 366.513 2.359 20 30 FEEDHN C#CCNC(=O)c1ccc(N(C)CC2CCN(c3ccncc3)CC2)nc1 ZINC000301942120 553693683 /nfs/dbraw/zinc/69/36/83/553693683.db2.gz VHHVPAXYJGMYMD-UHFFFAOYSA-N 0 3 363.465 2.192 20 30 FEEDHN C[C@H]1CN(CC(C)(C)O)CCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302708896 553727472 /nfs/dbraw/zinc/72/74/72/553727472.db2.gz YXXNJRLWSLJZAR-ZDUSSCGKSA-N 0 3 369.425 2.296 20 30 FEEDHN CC[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)N(CC)CC ZINC000505668013 561676877 /nfs/dbraw/zinc/67/68/77/561676877.db2.gz COTRCIOJHUTRKO-MSOLQXFVSA-N 0 3 356.470 2.290 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000328665652 553804864 /nfs/dbraw/zinc/80/48/64/553804864.db2.gz ZJTXXSAFTUGUAX-HZPDHXFCSA-N 0 3 373.453 2.252 20 30 FEEDHN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C1CCN(C2CC2)CC1 ZINC000328696966 553808727 /nfs/dbraw/zinc/80/87/27/553808727.db2.gz LCHXIAJMILJPQW-UHFFFAOYSA-N 0 3 356.426 2.405 20 30 FEEDHN C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)N1CCC[C@@H](C)C1 ZINC000505786465 561680803 /nfs/dbraw/zinc/68/08/03/561680803.db2.gz AOKNVVABLOWKRG-CLCXKQKWSA-N 0 3 351.491 2.485 20 30 FEEDHN O=C(CCC(=O)N1CCN(CC2CCOCC2)CC1)NC1CCCC1 ZINC000328787293 553822286 /nfs/dbraw/zinc/82/22/86/553822286.db2.gz OWSKEFDHQUJELE-UHFFFAOYSA-N 0 3 351.491 2.237 20 30 FEEDHN Cc1noc([C@H](NC(=O)NCCN2CCC[C@@H](C)C2)C2CCOCC2)n1 ZINC000329024619 553866975 /nfs/dbraw/zinc/86/69/75/553866975.db2.gz JCMCAOGQSDTVRZ-CZUORRHYSA-N 0 3 365.478 2.081 20 30 FEEDHN CC(C)N1C(=O)N[C@@H]2CN(C(=O)C(C#N)CCc3ccccc3)CC[C@@H]21 ZINC000329176787 553896140 /nfs/dbraw/zinc/89/61/40/553896140.db2.gz LVWRNNOYUIXMHQ-KSZLIROESA-N 0 3 354.454 2.366 20 30 FEEDHN CN(CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000329198017 553900415 /nfs/dbraw/zinc/90/04/15/553900415.db2.gz AFYFYZXTBNPCLE-LJQANCHMSA-N 0 3 370.497 2.307 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)CN1C1CC1 ZINC000329260159 553912739 /nfs/dbraw/zinc/91/27/39/553912739.db2.gz CTWBEHZUUSTVFV-AZGFTEDZSA-N 0 3 363.462 2.023 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)CN1C1CC1 ZINC000329260161 553913035 /nfs/dbraw/zinc/91/30/35/553913035.db2.gz CTWBEHZUUSTVFV-YVVSIOMPSA-N 0 3 363.462 2.023 20 30 FEEDHN CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000329296671 553919742 /nfs/dbraw/zinc/91/97/42/553919742.db2.gz SZQAZYHOAGPSBI-IAGOWNOFSA-N 0 3 352.523 2.496 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000329325900 553925683 /nfs/dbraw/zinc/92/56/83/553925683.db2.gz WHVXLKZPEWNABO-UJWQCDCRSA-N 0 3 367.534 2.273 20 30 FEEDHN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC(c3c[nH]cn3)CC1)CC2 ZINC000329343838 553928629 /nfs/dbraw/zinc/92/86/29/553928629.db2.gz QGZPXFSENUBJFQ-AWEZNQCLSA-N 0 3 357.462 2.233 20 30 FEEDHN CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])N1CCC(c3cnc[nH]3)CC1)CC2 ZINC000329343838 553928634 /nfs/dbraw/zinc/92/86/34/553928634.db2.gz QGZPXFSENUBJFQ-AWEZNQCLSA-N 0 3 357.462 2.233 20 30 FEEDHN C[C@@H](CN1CCOCC1)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000329369659 553933798 /nfs/dbraw/zinc/93/37/98/553933798.db2.gz JOFYHQYSKAJUQH-INIZCTEOSA-N 0 3 361.486 2.200 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCCNC(=O)Cc3cccc(F)c3)[C@@H]2C1 ZINC000329422116 553943612 /nfs/dbraw/zinc/94/36/12/553943612.db2.gz HJNMVOSFZNLVHV-NVXWUHKLSA-N 0 3 362.449 2.265 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)[C@@H]2C1 ZINC000329433454 553945761 /nfs/dbraw/zinc/94/57/61/553945761.db2.gz KVRLICSAEQSTCB-RHSMWYFYSA-N 0 3 374.489 2.354 20 30 FEEDHN C[C@H]1C[C@H]1N1C[C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1=O ZINC000329641320 553981431 /nfs/dbraw/zinc/98/14/31/553981431.db2.gz XRHJOLSNXUQSDT-CSQLCUNESA-N 0 3 370.497 2.020 20 30 FEEDHN O=C(NC1CCC2(CC1)NC(=O)NC2=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000329699040 553991307 /nfs/dbraw/zinc/99/13/07/553991307.db2.gz FZQIKOTXLKJVDB-TXKKKEFDSA-N 0 3 363.462 2.026 20 30 FEEDHN C[C@H](NC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000329707962 553993109 /nfs/dbraw/zinc/99/31/09/553993109.db2.gz LYNJPLUJEYCNPO-YJBOKZPZSA-N 0 3 362.518 2.322 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C[C@@H]1N(C)C ZINC000507087641 561717081 /nfs/dbraw/zinc/71/70/81/561717081.db2.gz PPLCSKPBGPQKCG-ROUUACIJSA-N 0 3 369.494 2.170 20 30 FEEDHN C[C@@H](CNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)CN1CCCC1 ZINC000329792284 554006992 /nfs/dbraw/zinc/00/69/92/554006992.db2.gz FJJMYMYQCRGNLV-INIZCTEOSA-N 0 3 371.547 2.066 20 30 FEEDHN CC(C)CC(=O)N1CCC(NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000329800213 554008041 /nfs/dbraw/zinc/00/80/41/554008041.db2.gz IJCIGZUIMYYCSX-RHSMWYFYSA-N 0 3 350.507 2.010 20 30 FEEDHN C[C@H](CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000329806634 554009730 /nfs/dbraw/zinc/00/97/30/554009730.db2.gz OCLAAJQGFDCOHX-IEBWSBKVSA-N 0 3 372.513 2.333 20 30 FEEDHN C[C@@H](c1nccs1)N1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000329829072 554013803 /nfs/dbraw/zinc/01/38/03/554013803.db2.gz JOVAWPUWGWAVRZ-QLFBSQMISA-N 0 3 351.520 2.218 20 30 FEEDHN O=C(N[C@@H]1CCc2c[nH]nc2C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000329850702 554019068 /nfs/dbraw/zinc/01/90/68/554019068.db2.gz SMNVQPJDZQGRQA-QZTJIDSGSA-N 0 3 353.470 2.435 20 30 FEEDHN O=C(NC1CC(N2CCCCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000330013778 554049627 /nfs/dbraw/zinc/04/96/27/554049627.db2.gz AHKIXHMRIRBFGC-UHFFFAOYSA-N 0 3 365.437 2.497 20 30 FEEDHN CC(C(=O)N[C@@H]1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1 ZINC000330034582 554052670 /nfs/dbraw/zinc/05/26/70/554052670.db2.gz BDCIGBWTOYVUEH-CZUORRHYSA-N 0 3 351.468 2.483 20 30 FEEDHN CC(C(=O)NCCc1ccc2c(c1)CCO2)S(=O)(=O)C1CCOCC1 ZINC000330055108 554056085 /nfs/dbraw/zinc/05/60/85/554056085.db2.gz TWCNREQKZSPGFP-CYBMUJFWSA-N 0 3 367.467 2.103 20 30 FEEDHN CC(C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000330071980 554059707 /nfs/dbraw/zinc/05/97/07/554059707.db2.gz JIOGPMCDOAOLFR-QLFBSQMISA-N 0 3 360.520 2.046 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2c(C)nn(C)c2C)C[C@H]1N1CCCC1 ZINC000330098591 554064028 /nfs/dbraw/zinc/06/40/28/554064028.db2.gz CBYOBWYBVXXQMF-HUUCEWRRSA-N 0 3 351.520 2.137 20 30 FEEDHN CN1C[C@H](NC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC1=O ZINC000330121271 554068553 /nfs/dbraw/zinc/06/85/53/554068553.db2.gz GUBKLIZBZJRQGO-NQIIRXRSSA-N 0 3 370.497 2.119 20 30 FEEDHN C[C@H](NC(=O)Nc1ccn(C2CCN(C)CC2)n1)[C@H]1COc2ccccc21 ZINC000330192246 554081868 /nfs/dbraw/zinc/08/18/68/554081868.db2.gz NPPJGDJGJWLGOG-WMLDXEAASA-N 0 3 369.469 3.040 20 30 FEEDHN O=C(NCC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1)c1ccccn1 ZINC000330241244 554091322 /nfs/dbraw/zinc/09/13/22/554091322.db2.gz WDFJSEZOLCLPTO-GOSISDBHSA-N 0 3 356.470 2.252 20 30 FEEDHN Cc1nnc([C@@H](C)NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)s1 ZINC000330324245 554105540 /nfs/dbraw/zinc/10/55/40/554105540.db2.gz UAPOWZBHJQINSA-VXGBXAGGSA-N 0 3 353.492 2.007 20 30 FEEDHN CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000330416545 554118652 /nfs/dbraw/zinc/11/86/52/554118652.db2.gz BAVKENBSVFKKGF-IAGOWNOFSA-N 0 3 352.523 2.117 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC000330663826 554153269 /nfs/dbraw/zinc/15/32/69/554153269.db2.gz XPIYLVGIIQJFGV-INIZCTEOSA-N 0 3 350.507 2.035 20 30 FEEDHN CC[C@@H](C(=O)N1CCN(C(=O)NC2CCCCC2)CC1)N(CC)CC ZINC000330806770 554173935 /nfs/dbraw/zinc/17/39/35/554173935.db2.gz JDLDXINENNDXGN-KRWDZBQOSA-N 0 3 352.523 2.498 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCC[C@@H]2CN(C)C)C1 ZINC000330932073 554190669 /nfs/dbraw/zinc/19/06/69/554190669.db2.gz WVDUFZHAJDUVQT-IAGOWNOFSA-N 0 3 352.523 2.211 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@](O)(C(F)(F)F)C2)cc1 ZINC000330967480 554194984 /nfs/dbraw/zinc/19/49/84/554194984.db2.gz BMCGFNHDKHFTKL-GDBMZVCRSA-N 0 3 351.328 2.156 20 30 FEEDHN C=CCOc1ccc(CNC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000508452064 561762525 /nfs/dbraw/zinc/76/25/25/561762525.db2.gz SGRIFALOELPQOU-UHFFFAOYSA-N 0 3 374.529 2.467 20 30 FEEDHN Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000331228868 554233448 /nfs/dbraw/zinc/23/34/48/554233448.db2.gz CGMAJRVAZUZTIL-XJKSGUPXSA-N 0 3 367.515 2.500 20 30 FEEDHN C=CCn1c(CC2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000508840707 561774682 /nfs/dbraw/zinc/77/46/82/561774682.db2.gz MHPABZOCAIOJGM-GOSISDBHSA-N 0 3 359.518 2.355 20 30 FEEDHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000332587124 554476844 /nfs/dbraw/zinc/47/68/44/554476844.db2.gz CMMDEAVZDYNMRL-HUUCEWRRSA-N 0 3 367.490 2.485 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C2CCOCC2)cc1 ZINC000334078332 554675638 /nfs/dbraw/zinc/67/56/38/554675638.db2.gz KSEDTXNPULNZBN-QWHCGFSZSA-N 0 3 365.455 2.309 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCCCN2Cc2ccccc2)C1=O ZINC000348456904 554685571 /nfs/dbraw/zinc/68/55/71/554685571.db2.gz CFGGMYVOGDIYMQ-ROUUACIJSA-N 0 3 357.454 2.164 20 30 FEEDHN CCN1C(=O)N=NC1C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000360900332 554894384 /nfs/dbraw/zinc/89/43/84/554894384.db2.gz ITVCQPNJBUQZFK-UHFFFAOYSA-N 0 3 368.441 2.083 20 30 FEEDHN C=C(C)[C@H](CC(=O)N1CCC(CCN2CCN(C)CC2)CC1)OCC ZINC000361192869 554909655 /nfs/dbraw/zinc/90/96/55/554909655.db2.gz XXHIJTSJBIKBON-IBGZPJMESA-N 0 3 351.535 2.234 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC(CCN2CCN(C)CC2)CC1 ZINC000361278840 554914333 /nfs/dbraw/zinc/91/43/33/554914333.db2.gz QLIYDRCJWLXBPU-UHFFFAOYSA-N 0 3 354.498 2.356 20 30 FEEDHN C=CCc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc(OC)c1OC ZINC000363102122 555030677 /nfs/dbraw/zinc/03/06/77/555030677.db2.gz ZGSCCNSPZBEKGY-IRXDYDNUSA-N 0 3 360.454 2.025 20 30 FEEDHN C=CCOc1ccc(C(=O)N2CCCN(CCCOC)CC2)cc1OC ZINC000363190867 555049820 /nfs/dbraw/zinc/04/98/20/555049820.db2.gz MVNULMSWWLIKNM-UHFFFAOYSA-N 0 3 362.470 2.444 20 30 FEEDHN Cc1cc(N2CCC(N(C)CC(=O)N[C@@](C)(C#N)C(C)C)CC2)nc(C)n1 ZINC000363349743 555083556 /nfs/dbraw/zinc/08/35/56/555083556.db2.gz RNYKAGBYCKXEME-FQEVSTJZSA-N 0 3 372.517 2.049 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000511903335 561884719 /nfs/dbraw/zinc/88/47/19/561884719.db2.gz AFVWHDTVAZCCDD-INIZCTEOSA-N 0 3 373.476 2.403 20 30 FEEDHN CN1CCN(C[C@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000363672025 555160478 /nfs/dbraw/zinc/16/04/78/555160478.db2.gz MESQNRFHDDXUJN-GOSISDBHSA-N 0 3 372.538 2.136 20 30 FEEDHN C=CCN(C(=O)NCc1nc(C)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364282356 555284012 /nfs/dbraw/zinc/28/40/12/555284012.db2.gz WLPITSUXROHUHM-KRWDZBQOSA-N 0 3 355.442 2.350 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000364339993 555294576 /nfs/dbraw/zinc/29/45/76/555294576.db2.gz FLXAUBQJJOUNSJ-QGZVFWFLSA-N 0 3 370.497 2.331 20 30 FEEDHN COCc1nccc([C@@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000364406236 555307401 /nfs/dbraw/zinc/30/74/01/555307401.db2.gz RTZCAFNFMUGKPA-IEBWSBKVSA-N 0 3 352.438 2.408 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000364709968 555381797 /nfs/dbraw/zinc/38/17/97/555381797.db2.gz MJPXSHUYGYSVPQ-UHFFFAOYSA-N 0 3 355.486 2.440 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000512745854 561913898 /nfs/dbraw/zinc/91/38/98/561913898.db2.gz XBDAJIPYKHBOPL-RDJZCZTQSA-N 0 3 361.511 2.448 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)NCC1CCN(c2ccccc2C#N)CC1 ZINC000365575525 555612646 /nfs/dbraw/zinc/61/26/46/555612646.db2.gz MBQWGCZYKDAMKF-SFHVURJKSA-N 0 3 355.486 2.168 20 30 FEEDHN COc1ccc([C@H](CCC#N)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000365732729 555654179 /nfs/dbraw/zinc/65/41/79/555654179.db2.gz GDRWUBMPRJWEIG-FPOVZHCZSA-N 0 3 372.513 2.036 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCN3CCC[C@@H](C)C3)C2)n1 ZINC000365751291 555659517 /nfs/dbraw/zinc/65/95/17/555659517.db2.gz JDYRDCGQVIXOKN-VQIMIIECSA-N 0 3 369.513 2.326 20 30 FEEDHN CC[C@](C)(C#N)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000513570430 561943144 /nfs/dbraw/zinc/94/31/44/561943144.db2.gz CIPCFOQBFDINAL-HXUWFJFHSA-N 0 3 358.486 2.215 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000366148596 555765044 /nfs/dbraw/zinc/76/50/44/555765044.db2.gz ZMHDACKQWORXQR-HNNXBMFYSA-N 0 3 371.485 2.186 20 30 FEEDHN N#Cc1ccc(N2CCCN(C[C@@H](O)COCC(F)(F)F)CC2)cc1 ZINC000366446161 555846491 /nfs/dbraw/zinc/84/64/91/555846491.db2.gz ZWFWAVIAKCWUAK-MRXNPFEDSA-N 0 3 357.376 2.010 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000366729639 555919416 /nfs/dbraw/zinc/91/94/16/555919416.db2.gz MPQLCQZAXCIEJV-APWZRJJASA-N 0 3 351.491 2.006 20 30 FEEDHN CCN(CC)[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)Cc1ccccc1 ZINC000514636057 561971082 /nfs/dbraw/zinc/97/10/82/561971082.db2.gz KSOONQAZXJDPSH-GOSISDBHSA-N 0 3 372.494 2.185 20 30 FEEDHN C=CCN1CCC(NC(=O)NC2(c3noc(C(F)F)n3)CCC2)CC1 ZINC000368191885 556244098 /nfs/dbraw/zinc/24/40/98/556244098.db2.gz CTPDVUXIHKDPPT-UHFFFAOYSA-N 0 3 355.389 2.336 20 30 FEEDHN CN(C)Cc1ccccc1C(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000368281846 556266921 /nfs/dbraw/zinc/26/69/21/556266921.db2.gz WYVSPVOIKUXBDM-UHFFFAOYSA-N 0 3 363.465 2.367 20 30 FEEDHN Cc1ccc(C(=O)N2CCC(CCN3CCN(C)CC3)CC2)cc1C#N ZINC000368522278 556334090 /nfs/dbraw/zinc/33/40/90/556334090.db2.gz MTGDKGFRBADFRP-UHFFFAOYSA-N 0 3 354.498 2.356 20 30 FEEDHN CC(C)(C(=O)NC1CCN([C@H]2CCOC2)CC1)c1cc(F)cc(C#N)c1 ZINC000368612054 556362196 /nfs/dbraw/zinc/36/21/96/556362196.db2.gz GADZRXQRKVUEHT-SFHVURJKSA-N 0 3 359.445 2.344 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369013355 556476395 /nfs/dbraw/zinc/47/63/95/556476395.db2.gz ZIFSIPDQKYRACC-INIZCTEOSA-N 0 3 368.397 2.329 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(c3ccc(C)c(C)c3)C2=O)CC1 ZINC000369040179 556486238 /nfs/dbraw/zinc/48/62/38/556486238.db2.gz CEUVKJQPUQYRJK-IBGZPJMESA-N 0 3 355.482 2.423 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000369392461 556588663 /nfs/dbraw/zinc/58/86/63/556588663.db2.gz AIEICOMPFPASPT-LJQANCHMSA-N 0 3 372.513 2.173 20 30 FEEDHN C#CCCN1CCC(NC(=O)CN2c3ccsc3CCCC2=O)CC1 ZINC000369591017 556641033 /nfs/dbraw/zinc/64/10/33/556641033.db2.gz HYGVDVGCZQJKDE-UHFFFAOYSA-N 0 3 359.495 2.021 20 30 FEEDHN C[C@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000369767020 556689016 /nfs/dbraw/zinc/68/90/16/556689016.db2.gz PKJUHFNXMRDZKC-PXNSSMCTSA-N 0 3 351.498 2.269 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000369873670 556718368 /nfs/dbraw/zinc/71/83/68/556718368.db2.gz MOEGGCXBTQMTDH-NSISKUIASA-N 0 3 370.497 2.289 20 30 FEEDHN CCN1CCc2c(cccc2NC(=O)C(=O)N(CCC#N)CC2CC2)C1 ZINC000369930389 556733899 /nfs/dbraw/zinc/73/38/99/556733899.db2.gz MDBPVKRRJUBJFO-UHFFFAOYSA-N 0 3 354.454 2.155 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)CC1 ZINC000370015013 556758462 /nfs/dbraw/zinc/75/84/62/556758462.db2.gz BFAYNPGKODYWHJ-MJGOQNOKSA-N 0 3 367.493 2.200 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCCCC3)C2)cc1 ZINC000370119391 556785824 /nfs/dbraw/zinc/78/58/24/556785824.db2.gz HSNRPBGVFTXGDJ-SFHVURJKSA-N 0 3 354.454 2.364 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370406489 556863184 /nfs/dbraw/zinc/86/31/84/556863184.db2.gz NAIMLEDDNVUBEH-DYESRHJHSA-N 0 3 368.481 2.266 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC(C(=O)Nc3cccnc3)CC2)cc1 ZINC000370755890 556958791 /nfs/dbraw/zinc/95/87/91/556958791.db2.gz XTMSODNWRUWBNJ-IBGZPJMESA-N 0 3 350.422 2.337 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1C#N ZINC000370910043 557011546 /nfs/dbraw/zinc/01/15/46/557011546.db2.gz YTFFKVPCQDDSSY-IAGOWNOFSA-N 0 3 358.442 2.330 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(CC#N)c2)CC1=O ZINC000517014118 562071072 /nfs/dbraw/zinc/07/10/72/562071072.db2.gz IVUINMMPQUUSMJ-WMZOPIPTSA-N 0 3 354.454 2.024 20 30 FEEDHN N#Cc1cccc(CNC(=O)CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000371384579 557169643 /nfs/dbraw/zinc/16/96/43/557169643.db2.gz LWTXUNQYCASVGI-QGZVFWFLSA-N 0 3 364.453 2.050 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)C(C)C ZINC000371431139 557185319 /nfs/dbraw/zinc/18/53/19/557185319.db2.gz MWDPYIHEMPPIGH-GGPKGHCWSA-N 0 3 365.518 2.322 20 30 FEEDHN C=CCN(C(=O)c1ccc(C(N)=O)cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000371590451 557232170 /nfs/dbraw/zinc/23/21/70/557232170.db2.gz NKRMTDIVFNSRFW-GOSISDBHSA-N 0 3 364.449 2.083 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000518080093 562104057 /nfs/dbraw/zinc/10/40/57/562104057.db2.gz AEEKTHNVNTWOLJ-HNNXBMFYSA-N 0 3 359.470 2.331 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000371609049 557238894 /nfs/dbraw/zinc/23/88/94/557238894.db2.gz UGQVQQDIRFXXFH-BRWVUGGUSA-N 0 3 372.469 2.430 20 30 FEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000518870260 562120006 /nfs/dbraw/zinc/12/00/06/562120006.db2.gz AZLUIWCIENLCGC-SOLBZPMBSA-N 0 3 371.485 2.379 20 30 FEEDHN C=CCN(C(=O)NCCc1cnccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372487061 557483964 /nfs/dbraw/zinc/48/39/64/557483964.db2.gz MKOJTYRDUKWNIL-HXUWFJFHSA-N 0 3 365.481 2.491 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372525794 557493414 /nfs/dbraw/zinc/49/34/14/557493414.db2.gz YDLVFCFYLQNBPD-KPFFTGBYSA-N 0 3 357.502 2.014 20 30 FEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(CCC#N)CC1 ZINC000519534551 562133823 /nfs/dbraw/zinc/13/38/23/562133823.db2.gz ADCIFFFYJNPJFK-GFCCVEGCSA-N 0 3 370.393 2.216 20 30 FEEDHN COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)Cc1cccc(C#N)c1 ZINC000373171917 557643231 /nfs/dbraw/zinc/64/32/31/557643231.db2.gz DMRGMNIOTKZVMO-QGZVFWFLSA-N 0 3 357.435 2.307 20 30 FEEDHN CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)N1CCCC1 ZINC000373708604 557742961 /nfs/dbraw/zinc/74/29/61/557742961.db2.gz PYFDRCQKYLUVAX-RBUKOAKNSA-N 0 3 368.481 2.040 20 30 FEEDHN COc1cccc2c1C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C2 ZINC000521031295 562168049 /nfs/dbraw/zinc/16/80/49/562168049.db2.gz ZFORKVROARQJDX-MRXNPFEDSA-N 0 3 356.447 2.098 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC(c4nc[nH]n4)CC3)C2=O)cc1 ZINC000374899148 557948122 /nfs/dbraw/zinc/94/81/22/557948122.db2.gz VAFNWFHHBXJSIU-QGZVFWFLSA-N 0 3 350.426 2.051 20 30 FEEDHN C(#CCN1CCC[C@@H](n2cccn2)C1)CN1CCC[C@@H](n2cccn2)C1 ZINC000375386546 558019162 /nfs/dbraw/zinc/01/91/62/558019162.db2.gz IQQNJXLYWCWPFO-WOJBJXKFSA-N 0 3 352.486 2.057 20 30 FEEDHN C[C@H](N[C@H]1CCCC[C@@H]1N1CCOCC1)C(=O)Nc1ccccc1C#N ZINC000375474700 558033796 /nfs/dbraw/zinc/03/37/96/558033796.db2.gz RTARFHOFDDVUJA-SNRMKQJTSA-N 0 3 356.470 2.118 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000376349634 558161558 /nfs/dbraw/zinc/16/15/58/558161558.db2.gz JCOSBSVMSZBBQC-IUODEOHRSA-N 0 3 353.875 2.459 20 30 FEEDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CCc1ccc(C#N)cc1 ZINC000522313352 562196920 /nfs/dbraw/zinc/19/69/20/562196920.db2.gz TYULUFLRUGGVLT-UHFFFAOYSA-N 0 3 359.470 2.223 20 30 FEEDHN CN1CC[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000377650368 558386835 /nfs/dbraw/zinc/38/68/35/558386835.db2.gz MDQJIXYGGOSHMX-WDSOQIARSA-N 0 3 360.889 2.483 20 30 FEEDHN CN1CC[C@@H](NCC(=O)NC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377676743 558394147 /nfs/dbraw/zinc/39/41/47/558394147.db2.gz QDDQQXHWQDUROT-WBVHZDCISA-N 0 3 364.852 2.376 20 30 FEEDHN COc1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1OCCCC#N ZINC000377838095 558432531 /nfs/dbraw/zinc/43/25/31/558432531.db2.gz VNXWQAILRGCQND-DJIMGWMZSA-N 0 3 357.454 2.477 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000378459544 558562709 /nfs/dbraw/zinc/56/27/09/558562709.db2.gz UAQWJEUSAZPSTG-JTDSTZFVSA-N 0 3 358.461 2.487 20 30 FEEDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000410130633 558740792 /nfs/dbraw/zinc/74/07/92/558740792.db2.gz MTTUMODGUQBYGU-HOTGVXAUSA-N 0 3 358.552 2.203 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 ZINC000524939863 562237928 /nfs/dbraw/zinc/23/79/28/562237928.db2.gz AHOUCLJCAQEDDP-QGZVFWFLSA-N 0 3 364.534 2.221 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC1 ZINC000411265982 558863533 /nfs/dbraw/zinc/86/35/33/558863533.db2.gz WXNWYKJTMIMYQL-ZDUSSCGKSA-N 0 3 363.424 2.236 20 30 FEEDHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000411421415 558892057 /nfs/dbraw/zinc/89/20/57/558892057.db2.gz KIYJWMCEBHHJMT-RBUKOAKNSA-N 0 3 369.465 2.053 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000525861757 562257638 /nfs/dbraw/zinc/25/76/38/562257638.db2.gz NIYZLCBUSOAKME-ADKAHSJRSA-N 0 3 371.485 2.379 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN[C@H](CO)[C@@H]1CCCOC1 ZINC000411999217 559000900 /nfs/dbraw/zinc/00/09/00/559000900.db2.gz XBPLMUSRDNTHQX-GDBMZVCRSA-N 0 3 350.484 2.280 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC2(CO)C3CC4CC(C3)CC2C4)cc1 ZINC000412002624 559001373 /nfs/dbraw/zinc/00/13/73/559001373.db2.gz MFNMYHMBXLYZHF-UHFFFAOYSA-N 0 3 374.506 2.109 20 30 FEEDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cc(C)c(C#N)cn1 ZINC000412583443 559044895 /nfs/dbraw/zinc/04/48/95/559044895.db2.gz WHISYSXMIOEQCQ-UHFFFAOYSA-N 0 3 354.410 2.463 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000412679433 559050183 /nfs/dbraw/zinc/05/01/83/559050183.db2.gz WULLMCWYEHAMBR-IEBWSBKVSA-N 0 3 352.438 2.153 20 30 FEEDHN N#Cc1ccc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000412778443 559055626 /nfs/dbraw/zinc/05/56/26/559055626.db2.gz JZCVAUBWNUPUSZ-UHFFFAOYSA-N 0 3 355.463 2.377 20 30 FEEDHN C=CCn1cccc1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412781321 559055795 /nfs/dbraw/zinc/05/57/95/559055795.db2.gz TZSVAFAUVCYAIF-UHFFFAOYSA-N 0 3 353.466 2.431 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000413231386 559090522 /nfs/dbraw/zinc/09/05/22/559090522.db2.gz FLWAROCYDRANBM-SFHVURJKSA-N 0 3 374.460 2.271 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(N)ccc1F)C(C)C ZINC000414698020 559180621 /nfs/dbraw/zinc/18/06/21/559180621.db2.gz RSUHOVOJHQRURB-KRWDZBQOSA-N 0 3 362.449 2.161 20 30 FEEDHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000415827096 559275878 /nfs/dbraw/zinc/27/58/78/559275878.db2.gz ADKRCUSLWHQIEW-KRWDZBQOSA-N 0 3 350.422 2.184 20 30 FEEDHN C=CCC[C@@H](NC(=O)C(=O)N[C@@H](C)CN)c1ccc(C(F)(F)F)cc1 ZINC000419473606 559444304 /nfs/dbraw/zinc/44/43/04/559444304.db2.gz LLPSBHWZWHZUPI-SMDDNHRTSA-N 0 3 357.376 2.292 20 30 FEEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCCN1C ZINC000420996225 559518493 /nfs/dbraw/zinc/51/84/93/559518493.db2.gz FRBXDTYXBLPIBF-QGZVFWFLSA-N 0 3 367.415 2.199 20 30 FEEDHN COC1([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000421037611 559521133 /nfs/dbraw/zinc/52/11/33/559521133.db2.gz SAYONSFACRYDNT-QAPCUYQASA-N 0 3 357.454 2.227 20 30 FEEDHN CCOC(=O)c1c(NC(=O)NC2CCN(C3CC3)CC2)c(C#N)cn1CC ZINC000421166866 559528249 /nfs/dbraw/zinc/52/82/49/559528249.db2.gz RGUHEJBZTOOCIK-UHFFFAOYSA-N 0 3 373.457 2.305 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@H]3CCCN3C)C2)n1 ZINC000421715134 559550719 /nfs/dbraw/zinc/55/07/19/559550719.db2.gz XBQXIASXWNAOMY-QZTJIDSGSA-N 0 3 355.486 2.031 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000422524872 559592796 /nfs/dbraw/zinc/59/27/96/559592796.db2.gz HCFLZNKABZXGHO-IBGZPJMESA-N 0 3 357.498 2.090 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000424099655 559654727 /nfs/dbraw/zinc/65/47/27/559654727.db2.gz VPDDFYGNTAMABS-IAGOWNOFSA-N 0 3 357.458 2.210 20 30 FEEDHN CN(C)C(=O)C[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)c2ccc(Cl)cc21 ZINC000424120084 559655302 /nfs/dbraw/zinc/65/53/02/559655302.db2.gz GPNSWSMHANIVPB-DOMZBBRYSA-N 0 3 362.861 2.270 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000424128416 559655691 /nfs/dbraw/zinc/65/56/91/559655691.db2.gz FIQXOEVQRFKPRO-INIZCTEOSA-N 0 3 352.841 2.144 20 30 FEEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1Br ZINC000424135674 559655732 /nfs/dbraw/zinc/65/57/32/559655732.db2.gz ZQNZVMJYSDJUKK-WCQYABFASA-N 0 3 354.248 2.354 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000424141372 559655989 /nfs/dbraw/zinc/65/59/89/559655989.db2.gz UCQLFNKHSKJXHA-CVEARBPZSA-N 0 3 368.437 2.175 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000424168211 559656498 /nfs/dbraw/zinc/65/64/98/559656498.db2.gz HZYWEPFYLGHGAW-CQSZACIVSA-N 0 3 354.223 2.494 20 30 FEEDHN CCN1CC[C@H](NC(=O)[C@H](N)CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424178533 559656988 /nfs/dbraw/zinc/65/69/88/559656988.db2.gz WVXWKXIGWKOIHE-VYDXJSESSA-N 0 3 368.403 2.377 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000425389829 559699606 /nfs/dbraw/zinc/69/96/06/559699606.db2.gz VGJYATHMWPZHHP-LPHOPBHVSA-N 0 3 368.481 2.164 20 30 FEEDHN CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428371292 559774015 /nfs/dbraw/zinc/77/40/15/559774015.db2.gz VOOWVJSBHLUPIZ-GJZGRUSLSA-N 0 3 350.488 2.132 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(CCC(=O)NCC3CCCCC3)C2)nc1 ZINC000428782493 559783178 /nfs/dbraw/zinc/78/31/78/559783178.db2.gz GVLXMOGPQZXUIC-GOSISDBHSA-N 0 3 356.470 2.493 20 30 FEEDHN N#Cc1cccnc1OC1CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000527352875 562286274 /nfs/dbraw/zinc/28/62/74/562286274.db2.gz GHAADLVKXHIDCN-UHFFFAOYSA-N 0 3 371.485 2.428 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000433357178 559878336 /nfs/dbraw/zinc/87/83/36/559878336.db2.gz WPWCAVBWCYBBEN-DLBZAZTESA-N 0 3 357.479 2.187 20 30 FEEDHN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433356885 559878340 /nfs/dbraw/zinc/87/83/40/559878340.db2.gz VNZQJDAPKSXNDN-IRXDYDNUSA-N 0 3 359.495 2.433 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000437041317 559959750 /nfs/dbraw/zinc/95/97/50/559959750.db2.gz LLOKWMUCZFEISD-WMZOPIPTSA-N 0 3 359.470 2.093 20 30 FEEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCc1cccc(C#N)c1 ZINC000440119698 560005016 /nfs/dbraw/zinc/00/50/16/560005016.db2.gz QNUQZUQNCQLVNW-UHFFFAOYSA-N 0 3 364.449 2.226 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000442107056 560044051 /nfs/dbraw/zinc/04/40/51/560044051.db2.gz DEUMHPLINFQBRF-MJBXVCDLSA-N 0 3 353.463 2.342 20 30 FEEDHN Cc1cc(CN[C@H](Cc2ccccc2)C(=O)N2CCOCC2)ccc1C#N ZINC000443994554 560098859 /nfs/dbraw/zinc/09/88/59/560098859.db2.gz LGNLRATVQUNFRN-OAQYLSRUSA-N 0 3 363.461 2.426 20 30 FEEDHN COCCNC(=O)[C@H](Cc1ccccc1)NCc1ccc(C#N)c(C)c1 ZINC000444004010 560099080 /nfs/dbraw/zinc/09/90/80/560099080.db2.gz PSKGQOOPZXPVOF-FQEVSTJZSA-N 0 3 351.450 2.330 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000447556127 560164524 /nfs/dbraw/zinc/16/45/24/560164524.db2.gz FCBKQBFJXNYQPW-KRWDZBQOSA-N 0 3 368.437 2.036 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000448677062 560193644 /nfs/dbraw/zinc/19/36/44/560193644.db2.gz KZHMCXGXYOYBOI-AABGKKOBSA-N 0 3 357.498 2.073 20 30 FEEDHN C=CCOc1ccc(CC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000450319479 560258502 /nfs/dbraw/zinc/25/85/02/560258502.db2.gz YWMDMAVZZVYGAZ-GHTZIAJQSA-N 0 3 371.525 2.278 20 30 FEEDHN CN(CCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)Cc1ccccc1 ZINC000450611917 560268039 /nfs/dbraw/zinc/26/80/39/560268039.db2.gz JMCHPDGGDHKCGZ-GCJKJVERSA-N 0 3 360.461 2.464 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000450891272 560277047 /nfs/dbraw/zinc/27/70/47/560277047.db2.gz JLARZZUGHCSKIH-HNNXBMFYSA-N 0 3 366.387 2.368 20 30 FEEDHN N#CCc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c(Cl)c1 ZINC000451052899 560284825 /nfs/dbraw/zinc/28/48/25/560284825.db2.gz FZOWOMWWGPSLBJ-LSDHHAIUSA-N 0 3 353.875 2.311 20 30 FEEDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)C2)C1 ZINC000451575917 560315728 /nfs/dbraw/zinc/31/57/28/560315728.db2.gz UFJNOMBLYWPSFN-MRXNPFEDSA-N 0 3 353.875 2.122 20 30 FEEDHN CC(C)[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@@H](CO)C(C)C ZINC000451597719 560316782 /nfs/dbraw/zinc/31/67/82/560316782.db2.gz NBBHKEBCWHDIPL-ZWKOTPCHSA-N 0 3 352.500 2.211 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000451607693 560317103 /nfs/dbraw/zinc/31/71/03/560317103.db2.gz QDGILEDUIFDIBH-XYPHTWIQSA-N 0 3 352.862 2.499 20 30 FEEDHN CN(C)CC1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 ZINC000451635784 560318549 /nfs/dbraw/zinc/31/85/49/560318549.db2.gz RSFRMVZRCMRPEC-AWEZNQCLSA-N 0 3 374.872 2.165 20 30 FEEDHN C[C@H](CC#N)N(C)S(=O)(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000451798905 560329142 /nfs/dbraw/zinc/32/91/42/560329142.db2.gz VGQUHMDAZOGWAM-MRXNPFEDSA-N 0 3 364.515 2.109 20 30 FEEDHN CN(C)CCn1nccc1NC(=O)c1cccc(C#N)c1Br ZINC000452521208 560366868 /nfs/dbraw/zinc/36/68/68/560366868.db2.gz LHNAJNVBYZKWAZ-UHFFFAOYSA-N 0 3 362.231 2.331 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000453704980 560398353 /nfs/dbraw/zinc/39/83/53/560398353.db2.gz GBNVKPMVQYFRAK-SFHVURJKSA-N 0 3 354.454 2.282 20 30 FEEDHN C=C(C)CNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000453726394 560399811 /nfs/dbraw/zinc/39/98/11/560399811.db2.gz XJIMOLKCBBSNIZ-UHFFFAOYSA-N 0 3 365.861 2.444 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@H](c1ccccc1)N(C)C ZINC000453730178 560400141 /nfs/dbraw/zinc/40/01/41/560400141.db2.gz BBZDMPMCUYKMSS-HNAYVOBHSA-N 0 3 364.449 2.499 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2c(F)cccc2-n2cccn2)CC1 ZINC000454548159 560449051 /nfs/dbraw/zinc/44/90/51/560449051.db2.gz PAUWZSPTOFUGIR-UHFFFAOYSA-N 0 3 357.433 2.461 20 30 FEEDHN CSC1(CNC(=O)NCc2ccc(C#N)c(F)c2)CCN(C)CC1 ZINC000454976677 560465781 /nfs/dbraw/zinc/46/57/81/560465781.db2.gz RHBQRWXIEZOZKY-UHFFFAOYSA-N 0 3 350.463 2.324 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)C(C)(C)O)cc1 ZINC000455261644 560476029 /nfs/dbraw/zinc/47/60/29/560476029.db2.gz WREIRKVMHWUBPD-GFCCVEGCSA-N 0 3 367.471 2.291 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)CCN1C1CCN(C)CC1 ZINC000455906086 560499833 /nfs/dbraw/zinc/49/98/33/560499833.db2.gz MWNRLTOJDXLIHH-MRXNPFEDSA-N 0 3 355.486 2.385 20 30 FEEDHN CC(C#N)C(=O)N(CCN(C(=O)[C@@H](C)C#N)C1CC1)Cc1ccccc1 ZINC000456698502 560529373 /nfs/dbraw/zinc/52/93/73/560529373.db2.gz MBKFJYSXVIUZKF-CVEARBPZSA-N 0 3 352.438 2.326 20 30 FEEDHN CC(C#N)C(=O)N(CCN(Cc1ccccc1)C(=O)[C@H](C)C#N)C1CC1 ZINC000456698502 560529374 /nfs/dbraw/zinc/52/93/74/560529374.db2.gz MBKFJYSXVIUZKF-CVEARBPZSA-N 0 3 352.438 2.326 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000459873363 560715541 /nfs/dbraw/zinc/71/55/41/560715541.db2.gz WVTLNQDTRRHIFW-MRXNPFEDSA-N 0 3 361.511 2.350 20 30 FEEDHN C[C@H](NC1CCN(C(=O)C2CC2)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000461619900 560776978 /nfs/dbraw/zinc/77/69/78/560776978.db2.gz MXXRRBAHHPXOOL-INIZCTEOSA-N 0 3 368.481 2.312 20 30 FEEDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000463680257 560821097 /nfs/dbraw/zinc/82/10/97/560821097.db2.gz WIDOOZDRPQUWKP-MRXNPFEDSA-N 0 3 365.499 2.500 20 30 FEEDHN N#Cc1ccc([N+](=O)[O-])c(NCCCN2CCN(c3ccncc3)CC2)c1 ZINC000466493433 560887956 /nfs/dbraw/zinc/88/79/56/560887956.db2.gz VDGRKUQLXXBLAY-UHFFFAOYSA-N 0 3 366.425 2.486 20 30 FEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000468472060 560930870 /nfs/dbraw/zinc/93/08/70/560930870.db2.gz ZQAABUUNAGMECK-IFXJQAMLSA-N 0 3 351.491 2.485 20 30 FEEDHN CN(C)CCOC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468772463 560938397 /nfs/dbraw/zinc/93/83/97/560938397.db2.gz AVNJGAMGRQKHMQ-UHFFFAOYSA-N 0 3 368.437 2.396 20 30 FEEDHN COCCN1CC[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 ZINC000469132461 560947944 /nfs/dbraw/zinc/94/79/44/560947944.db2.gz WCIQAAKVXGCQPJ-SFHVURJKSA-N 0 3 356.470 2.402 20 30 FEEDHN C=CCOCCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000470764776 560989164 /nfs/dbraw/zinc/98/91/64/560989164.db2.gz INWRHDWTHAUQPZ-UHFFFAOYSA-N 0 3 356.463 2.161 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2N2CCOCC2)cc1 ZINC000471865771 561013329 /nfs/dbraw/zinc/01/33/29/561013329.db2.gz ZLTBXVBJERFHEL-FQEVSTJZSA-N 0 3 374.444 2.394 20 30 FEEDHN CCN(CC)C(=O)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471950731 561015004 /nfs/dbraw/zinc/01/50/04/561015004.db2.gz HXFMBFPVGPPOAR-IBGZPJMESA-N 0 3 366.465 2.348 20 30 FEEDHN CCN(CC)CCN(CCOC)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000475810350 561105930 /nfs/dbraw/zinc/10/59/30/561105930.db2.gz PTTRVNFGKCXWPA-UHFFFAOYSA-N 0 3 359.536 2.080 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000528399550 562326889 /nfs/dbraw/zinc/32/68/89/562326889.db2.gz WQVNURGYUATFEN-ICSRJNTNSA-N 0 3 374.481 2.348 20 30 FEEDHN CC(C)C[C@H]1OCCC[C@@H]1NCC#CCN1C(=O)c2ccccc2C1=O ZINC000528459065 562330541 /nfs/dbraw/zinc/33/05/41/562330541.db2.gz RZIDUOAKYGPLGT-RBUKOAKNSA-N 0 3 354.450 2.469 20 30 FEEDHN CN1CC[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1 ZINC000528495711 562332243 /nfs/dbraw/zinc/33/22/43/562332243.db2.gz ZPMZRGOCRRDNSZ-SFTDATJTSA-N 0 3 373.456 2.321 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](Cc2cnn(C)c2)C1 ZINC000530627745 562418345 /nfs/dbraw/zinc/41/83/45/562418345.db2.gz SDZHSYXJHCJCLP-YLJYHZDGSA-N 0 3 355.482 2.453 20 30 FEEDHN CC[C@@H](C)[C@H]1CCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000533289955 562503975 /nfs/dbraw/zinc/50/39/75/562503975.db2.gz HSWNPGCJBYHECG-CRAIPNDOSA-N 0 3 373.501 2.404 20 30 FEEDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1cccc(F)c1C#N ZINC000535230329 562553634 /nfs/dbraw/zinc/55/36/34/562553634.db2.gz UUEWZGXGLDPCLD-IBGZPJMESA-N 0 3 354.429 2.398 20 30 FEEDHN CCOC(=O)c1c(NC(=O)C(C)C(F)(F)F)c(C#N)cn1CCOC ZINC000540734052 562592230 /nfs/dbraw/zinc/59/22/30/562592230.db2.gz HSBQLIIXEBTBRW-SECBINFHSA-N 0 3 361.320 2.320 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CNC(C)(C)c3cccs3)CC2)o1 ZINC000541638824 562617028 /nfs/dbraw/zinc/61/70/28/562617028.db2.gz XNVLFJGKZVTYED-UHFFFAOYSA-N 0 3 373.482 2.090 20 30 FEEDHN CC(=O)Nc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nc1 ZINC000542044539 562626019 /nfs/dbraw/zinc/62/60/19/562626019.db2.gz BQGWHOXBRCSEJT-UHFFFAOYSA-N 0 3 365.437 2.116 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000601759577 567829244 /nfs/dbraw/zinc/82/92/44/567829244.db2.gz NFBAODQNAQNRRM-KGLIPLIRSA-N 0 3 351.332 2.270 20 30 FEEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN(CCC#N)CC1)N(C)C ZINC000602312076 567965970 /nfs/dbraw/zinc/96/59/70/567965970.db2.gz PMYZOUIEFPJCFQ-HKUYNNGSSA-N 0 3 357.502 2.227 20 30 FEEDHN COc1ccc(N2C[C@@H](N[C@@H](C)CC3(C#N)CCOCC3)CC2=O)cc1 ZINC000602709897 568018850 /nfs/dbraw/zinc/01/88/50/568018850.db2.gz JPPZFKBYMPPMDM-HOTGVXAUSA-N 0 3 357.454 2.489 20 30 FEEDHN CNC(=O)[C@H](CNCc1cc(C#N)cs1)Cc1ccc(OC)c(F)c1 ZINC000568390765 568036547 /nfs/dbraw/zinc/03/65/47/568036547.db2.gz IASMXOWXFJEDFH-AWEZNQCLSA-N 0 3 361.442 2.462 20 30 FEEDHN N#Cc1c(NCC(=O)NCCN2CCCCCC2)cccc1-n1cccn1 ZINC000568768132 568195939 /nfs/dbraw/zinc/19/59/39/568195939.db2.gz HLZNENIEDCYQHQ-UHFFFAOYSA-N 0 3 366.469 2.148 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000569191443 568307061 /nfs/dbraw/zinc/30/70/61/568307061.db2.gz IGCZNPQLZZORCP-INIZCTEOSA-N 0 3 372.469 2.132 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000604541749 568309736 /nfs/dbraw/zinc/30/97/36/568309736.db2.gz IQEARUQTZRPWLH-RTBURBONSA-N 0 3 358.461 2.409 20 30 FEEDHN N#Cc1ccc(CN[C@H](CC(N)=O)C2CCOCC2)c(Br)c1 ZINC000181980720 568328894 /nfs/dbraw/zinc/32/88/94/568328894.db2.gz LVYFLVHGJOUHQU-OAHLLOKOSA-N 0 3 366.259 2.081 20 30 FEEDHN CN(C)CCOc1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)cc1 ZINC000569294800 568343466 /nfs/dbraw/zinc/34/34/66/568343466.db2.gz JXKVSFNWTUJFLY-UHFFFAOYSA-N 0 3 370.384 2.215 20 30 FEEDHN COC(=O)c1cccc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)c1C#N ZINC000569777933 568423908 /nfs/dbraw/zinc/42/39/08/568423908.db2.gz UTCJXOXTAPSYRG-RTBURBONSA-N 0 3 357.454 2.078 20 30 FEEDHN C=C(C)C[NH+]1CCC(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000735398481 598361233 /nfs/dbraw/zinc/36/12/33/598361233.db2.gz HSMGZLKORONODQ-BQYQJAHWSA-N 0 3 352.442 2.037 20 30 FEEDHN N#Cc1ccccc1CN1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000737727006 598417314 /nfs/dbraw/zinc/41/73/14/598417314.db2.gz BDRPSYFDURIGOC-UHFFFAOYSA-N 0 3 373.464 2.446 20 30 FEEDHN N#Cc1ccccc1CN1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000737727006 598417315 /nfs/dbraw/zinc/41/73/15/598417315.db2.gz BDRPSYFDURIGOC-UHFFFAOYSA-N 0 3 373.464 2.446 20 30 FEEDHN CC[C@@H]1[C@H](C(=O)C(C#N)C(=O)NC(C)C)CCN1C(=O)OC(C)(C)C ZINC000810533843 674549190 /nfs/dbraw/zinc/54/91/90/674549190.db2.gz XHLUPLQWRVRHJX-HZSPNIEDSA-N 0 3 351.447 2.255 20 30 FEEDHN CC[C@@H]1[C@H](C(=O)C(C#N)C(=O)NC(C)C)CCN1C(=O)OC(C)(C)C ZINC000810533845 674549256 /nfs/dbraw/zinc/54/92/56/674549256.db2.gz XHLUPLQWRVRHJX-MGPQQGTHSA-N 0 3 351.447 2.255 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000824585464 608490746 /nfs/dbraw/zinc/49/07/46/608490746.db2.gz QPDGVWBTKQWLDA-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN CCCCCCN(C)CC(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000812271581 674660798 /nfs/dbraw/zinc/66/07/98/674660798.db2.gz NZAAZGJGKCLUPF-UHFFFAOYSA-N 0 3 363.531 2.484 20 30 FEEDHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000561553497 674678903 /nfs/dbraw/zinc/67/89/03/674678903.db2.gz VQPBLYNBDQAFNA-UHFFFAOYSA-N 0 3 350.488 2.228 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@H]1CCNC1=O ZINC000563411246 674883889 /nfs/dbraw/zinc/88/38/89/674883889.db2.gz AZHXZDUQYVUBIB-OAHLLOKOSA-N 0 3 363.531 2.111 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000815083267 674914559 /nfs/dbraw/zinc/91/45/59/674914559.db2.gz VBOZAENKIZNTSP-WQLSENKSSA-N 0 3 371.300 2.294 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000815860691 674978910 /nfs/dbraw/zinc/97/89/10/674978910.db2.gz WXIDNNOIRKCHPJ-UHFFFAOYSA-N 0 3 356.253 2.312 20 30 FEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1cn(C)nc1Cl ZINC000815909107 674983714 /nfs/dbraw/zinc/98/37/14/674983714.db2.gz QYVJSKNPOVSUMS-GFCCVEGCSA-N 0 3 360.801 2.362 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000564845863 675067372 /nfs/dbraw/zinc/06/73/72/675067372.db2.gz FCCZHQJPHPUNFU-IXDOHACOSA-N 0 3 363.527 2.288 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2ccc3c(c2)CCO3)cc1 ZINC000570510062 670724819 /nfs/dbraw/zinc/72/48/19/670724819.db2.gz WMBHBVZXVFPJRT-UHFFFAOYSA-N 0 3 356.447 2.099 20 30 FEEDHN O=C(NCCNCc1cccc(OC(F)(F)F)c1)C1N=CC=CC1=O ZINC000113360907 670884131 /nfs/dbraw/zinc/88/41/31/670884131.db2.gz JOYDEJAALRXDOS-PFONDFGASA-N 0 3 355.316 2.201 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000573528615 671133488 /nfs/dbraw/zinc/13/34/88/671133488.db2.gz DEJIWLMTXPVVDH-MAZHCROVSA-N 0 3 364.877 2.075 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000566110038 675181772 /nfs/dbraw/zinc/18/17/72/675181772.db2.gz WVLPKKOEKUJRGU-BBWFWOEESA-N 0 3 363.527 2.288 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCSC3(CCC3)CC2)CC1 ZINC000577349148 671589547 /nfs/dbraw/zinc/58/95/47/671589547.db2.gz NAOPVRSGOGZZGS-KRWDZBQOSA-N 0 3 364.559 2.040 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)N1CCCC1 ZINC000609400941 675921348 /nfs/dbraw/zinc/92/13/48/675921348.db2.gz HDBFDPAMENSANF-AWEZNQCLSA-N 0 3 360.483 2.231 20 30 FEEDHN C[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000579177076 671716825 /nfs/dbraw/zinc/71/68/25/671716825.db2.gz OGXVJWZFCRJJND-RDTXWAMCSA-N 0 3 360.889 2.310 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000124200889 671992699 /nfs/dbraw/zinc/99/26/99/671992699.db2.gz MZPUODRXHFGGGA-SWLSCSKDSA-N 0 3 352.818 2.359 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000124990026 672004881 /nfs/dbraw/zinc/00/48/81/672004881.db2.gz QWTHBTBJXZMMPG-GXTWGEPZSA-N 0 3 352.818 2.277 20 30 FEEDHN CC(=O)N[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1cccs1 ZINC000138894163 672145142 /nfs/dbraw/zinc/14/51/42/672145142.db2.gz FCKJDASHOSEQLI-CHWSQXEVSA-N 0 3 356.407 2.058 20 30 FEEDHN C#CCN1CCC(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000152213962 672177011 /nfs/dbraw/zinc/17/70/11/672177011.db2.gz ZUHSKOAEQAHCJZ-UHFFFAOYSA-N 0 3 356.253 2.229 20 30 FEEDHN CC(=O)OC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000153511409 672199758 /nfs/dbraw/zinc/19/97/58/672199758.db2.gz LYIFMLZRJMDVDZ-UHFFFAOYSA-N 0 3 361.467 2.465 20 30 FEEDHN C#CCCOc1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000159426875 672281944 /nfs/dbraw/zinc/28/19/44/672281944.db2.gz XRJDVCVJPHQGPI-GOSISDBHSA-N 0 3 364.511 2.383 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCc1ccc(Br)s1 ZINC000177597271 672384017 /nfs/dbraw/zinc/38/40/17/672384017.db2.gz BKNFXEHQERQNHN-LLVKDONJSA-N 0 3 373.272 2.305 20 30 FEEDHN CNS(=O)(=O)Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337906 672522263 /nfs/dbraw/zinc/52/22/63/672522263.db2.gz DPDJXYVGIOAXLM-IBGZPJMESA-N 0 3 355.463 2.385 20 30 FEEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(F)c(Br)c1 ZINC000591767864 672709530 /nfs/dbraw/zinc/70/95/30/672709530.db2.gz WQARFJYMIGAVRC-WCQYABFASA-N 0 3 358.255 2.445 20 30 FEEDHN CSc1ccc([C@H](CNC(=O)N2CC[C@](O)(CC#N)C2)N(C)C)cc1 ZINC000592026535 672736029 /nfs/dbraw/zinc/73/60/29/672736029.db2.gz AWOZIJNOPKIAIR-FUHWJXTLSA-N 0 3 362.499 2.071 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1Cl ZINC000594325124 673058840 /nfs/dbraw/zinc/05/88/40/673058840.db2.gz BGXIHOCSKAIWIJ-JKSUJKDBSA-N 0 3 360.845 2.283 20 30 FEEDHN CCOC(=O)c1sc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)nc1C ZINC000594445791 673072743 /nfs/dbraw/zinc/07/27/43/673072743.db2.gz MCWRJZIZEHELNB-VXGBXAGGSA-N 0 3 352.460 2.217 20 30 FEEDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2CCCCC2)CC1 ZINC000330136356 673086101 /nfs/dbraw/zinc/08/61/01/673086101.db2.gz NGXNOUONCSIZJL-KRWDZBQOSA-N 0 3 350.507 2.109 20 30 FEEDHN O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000330165951 673086517 /nfs/dbraw/zinc/08/65/17/673086517.db2.gz XNDSOYJJDARBCT-UHFFFAOYSA-N 0 3 360.384 2.045 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)CN1C1CC1 ZINC000595553435 673265632 /nfs/dbraw/zinc/26/56/32/673265632.db2.gz HEPKZILDXADQEB-KGLIPLIRSA-N 0 3 359.499 2.077 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](O)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000596068219 673355474 /nfs/dbraw/zinc/35/54/74/673355474.db2.gz GESVQKRYPHDASX-BEFAXECRSA-N 0 3 358.463 2.086 20 30 FEEDHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538218478 673427350 /nfs/dbraw/zinc/42/73/50/673427350.db2.gz ZKGFXUDUMIDICE-HIFRSBDPSA-N 0 3 353.463 2.079 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000597005841 673436801 /nfs/dbraw/zinc/43/68/01/673436801.db2.gz ZZRFZPFFAMETFQ-NEPJUHHUSA-N 0 3 358.316 2.489 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](c2cccs2)C2CC2)CC1 ZINC000542510083 673587417 /nfs/dbraw/zinc/58/74/17/673587417.db2.gz ISCPASKAVFGEGS-VQIMIIECSA-N 0 3 360.527 2.481 20 30 FEEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000598722972 673603344 /nfs/dbraw/zinc/60/33/44/673603344.db2.gz FELOYHHDQPIUOO-SWLSCSKDSA-N 0 3 353.825 2.475 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000614443814 676175040 /nfs/dbraw/zinc/17/50/40/676175040.db2.gz QCSZPYWIMIPMIR-KSZLIROESA-N 0 3 352.519 2.297 20 30 FEEDHN Cn1c(CNC[C@@H](O)CC2(C#N)CCOCC2)nc2cc(Cl)ccc21 ZINC000600733365 673795249 /nfs/dbraw/zinc/79/52/49/673795249.db2.gz IYISOHNNLLVZMU-AWEZNQCLSA-N 0 3 362.861 2.388 20 30 FEEDHN CCNCc1ccn(Cc2cn(Cc3ccc(C#N)cc3Cl)nn2)n1 ZINC000603227968 673918980 /nfs/dbraw/zinc/91/89/80/673918980.db2.gz XHDCHFPGIOVQTG-UHFFFAOYSA-N 0 3 355.833 2.206 20 30 FEEDHN C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000548633583 673982220 /nfs/dbraw/zinc/98/22/20/673982220.db2.gz WBAKOTVNBLVYOI-KDOFPFPSSA-N 0 3 360.889 2.310 20 30 FEEDHN COc1cccc([C@@H]2C[C@H]2NCCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000566674066 675233779 /nfs/dbraw/zinc/23/37/79/675233779.db2.gz PWAZMKYMBIXCKF-RBUKOAKNSA-N 0 3 356.447 2.486 20 30 FEEDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000566943511 675254472 /nfs/dbraw/zinc/25/44/72/675254472.db2.gz VCSVLBAONBOHHZ-CQSZACIVSA-N 0 3 350.488 2.132 20 30 FEEDHN N#CCNC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000567297180 675281993 /nfs/dbraw/zinc/28/19/93/675281993.db2.gz OYZJNABDFZNMEH-MRXNPFEDSA-N 0 3 355.360 2.402 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)CC1 ZINC000819622432 675305233 /nfs/dbraw/zinc/30/52/33/675305233.db2.gz YFPIUKKPSGLHLT-QGZVFWFLSA-N 0 3 350.503 2.452 20 30 FEEDHN C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000567627989 675307965 /nfs/dbraw/zinc/30/79/65/675307965.db2.gz GSRJSIYQEUMLTJ-AWEZNQCLSA-N 0 3 353.463 2.237 20 30 FEEDHN O=C(C#Cc1cccs1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000827919542 675787001 /nfs/dbraw/zinc/78/70/01/675787001.db2.gz KTDDUQHJSLHZKB-IEBWSBKVSA-N 0 3 354.475 2.099 20 30 FEEDHN COC1CCN(CCNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619827649 676396641 /nfs/dbraw/zinc/39/66/41/676396641.db2.gz YXBDEMYNRMEZMI-UHFFFAOYSA-N 0 3 350.850 2.122 20 30 FEEDHN C[C@@H]1CC(=NNC(=S)NC2CCN(Cc3ccccc3)CC2)CN1C ZINC000761802068 680731891 /nfs/dbraw/zinc/73/18/91/680731891.db2.gz SUFOFGZAINIBMF-OAHLLOKOSA-N 0 3 359.543 2.195 20 30 FEEDHN COC(=O)[C@@]1(F)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000752309908 680235536 /nfs/dbraw/zinc/23/55/36/680235536.db2.gz OAJHULYZZORPLE-PIGZYNQJSA-N 0 3 361.398 2.060 20 30 FEEDHN C[C@H]1CC(N=Nc2ncnc3c2c(Br)nn3C)CN1C1CC1 ZINC000753959188 680326886 /nfs/dbraw/zinc/32/68/86/680326886.db2.gz FLPGFPKWEACOIP-QMMMGPOBSA-N 0 3 364.251 2.150 20 30 FEEDHN CCCCCCCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000755076918 680397744 /nfs/dbraw/zinc/39/77/44/680397744.db2.gz CWRNBHKKCMMACT-KRWDZBQOSA-N 0 3 352.523 2.295 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cc(F)ccc1Br ZINC000836228997 680438341 /nfs/dbraw/zinc/43/83/41/680438341.db2.gz AIZQFXIQFXYVQL-UHFFFAOYSA-N 0 3 356.239 2.343 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2csnc2OC)CC1 ZINC001034738787 680439313 /nfs/dbraw/zinc/43/93/13/680439313.db2.gz IFWWECGGHRNPRY-FPCVCCKLSA-N 0 3 365.499 2.260 20 30 FEEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ncnc2c1c(Br)nn2C ZINC000755890692 680443122 /nfs/dbraw/zinc/44/31/22/680443122.db2.gz YBBBMZFZGGCVNG-MRVPVSSYSA-N 0 3 364.251 2.008 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000836488716 680476312 /nfs/dbraw/zinc/47/63/12/680476312.db2.gz MCEPVBAAJMLNLF-CQSZACIVSA-N 0 3 358.269 2.281 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1Cc2ccc(Br)cc2C1 ZINC000836489988 680476584 /nfs/dbraw/zinc/47/65/84/680476584.db2.gz ARFKSKXRQOBGLP-UHFFFAOYSA-N 0 3 350.260 2.429 20 30 FEEDHN C=C(Br)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000767154544 680900849 /nfs/dbraw/zinc/90/08/49/680900849.db2.gz SADHTPOOQWUCDD-MRXNPFEDSA-N 0 3 364.243 2.092 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@H]1N(C)C ZINC000841713510 680908895 /nfs/dbraw/zinc/90/88/95/680908895.db2.gz OZFKEPKVTBICIG-SJORKVTESA-N 0 3 361.515 2.442 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC1OCCO1 ZINC000767385375 680909849 /nfs/dbraw/zinc/90/98/49/680909849.db2.gz NAPPGDBUMXDVSE-UHFFFAOYSA-N 0 3 352.504 2.348 20 30 FEEDHN Cn1nc(C2CC2)nc1CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000842685799 680959459 /nfs/dbraw/zinc/95/94/59/680959459.db2.gz XPDMNIUVJBBSDI-ZDUSSCGKSA-N 0 3 357.801 2.236 20 30 FEEDHN C[C@@H](C[C@H](O)c1cccs1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843108119 680988078 /nfs/dbraw/zinc/98/80/78/680988078.db2.gz RROUSJWMVNHXHK-BBRMVZONSA-N 0 3 364.492 2.495 20 30 FEEDHN CN(CCc1cnccn1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000771462840 681056449 /nfs/dbraw/zinc/05/64/49/681056449.db2.gz YIMLCEFCRGHVBG-AWEZNQCLSA-N 0 3 351.435 2.437 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNCc2sccc2Cl)C1 ZINC001051834201 681069730 /nfs/dbraw/zinc/06/97/30/681069730.db2.gz JIORNEBIXDPWTP-NFAWXSAZSA-N 0 3 370.902 2.310 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933449879 681415283 /nfs/dbraw/zinc/41/52/83/681415283.db2.gz RIKFJXBFQHHAOY-ZWKOTPCHSA-N 0 3 351.878 2.278 20 30 FEEDHN O=S1(=O)[N-]C(=NN=C2CC[NH+](CCC(F)(F)F)CC2)c2ccccc21 ZINC000779772029 681752330 /nfs/dbraw/zinc/75/23/30/681752330.db2.gz FESFPHUZGJKJNC-UHFFFAOYSA-N 0 3 374.388 2.129 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCOC1 ZINC000850761524 681957539 /nfs/dbraw/zinc/95/75/39/681957539.db2.gz NTXKPRDABUCREJ-VPJDZLOFSA-N 0 3 354.765 2.178 20 30 FEEDHN CC[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)N(C)C(=O)OC(C)(C)C ZINC000850768788 681958097 /nfs/dbraw/zinc/95/80/97/681958097.db2.gz XTJIBRANZSUXBZ-UONOGXRCSA-N 0 3 351.447 2.400 20 30 FEEDHN CC(C)(C#N)CS(=O)(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000915569685 685516286 /nfs/dbraw/zinc/51/62/86/685516286.db2.gz ZFECJGYBKPCQEZ-IBGZPJMESA-N 0 3 361.511 2.464 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000916870943 685528425 /nfs/dbraw/zinc/52/84/25/685528425.db2.gz OOXSIJUUHLEKLK-LISAXSMJSA-N 0 3 352.475 2.325 20 30 FEEDHN COC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](C)O1 ZINC000784368312 682220774 /nfs/dbraw/zinc/22/07/74/682220774.db2.gz XZBIMXZYZJGFAK-MELADBBJSA-N 0 3 359.451 2.208 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000784486466 682232195 /nfs/dbraw/zinc/23/21/95/682232195.db2.gz MFKJBCWPVTYNKO-OAHLLOKOSA-N 0 3 364.829 2.069 20 30 FEEDHN C#CCNC(=O)CN1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC000852599842 682306260 /nfs/dbraw/zinc/30/62/60/682306260.db2.gz UZOFYJGTUNBJLS-HZPDHXFCSA-N 0 3 351.491 2.141 20 30 FEEDHN CCCNC(=O)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547966 682385143 /nfs/dbraw/zinc/38/51/43/682385143.db2.gz ZQTHIAUKTFDMBT-OAHLLOKOSA-N 0 3 363.845 2.362 20 30 FEEDHN Cc1cc(C=NNC(=S)NC2CCN(Cc3ccccc3)CC2)on1 ZINC000857205709 682864893 /nfs/dbraw/zinc/86/48/93/682864893.db2.gz JGTIMEBFYNILSV-UHFFFAOYSA-N 0 3 357.483 2.446 20 30 FEEDHN C#CC[C@H](COC)NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000858334882 682958363 /nfs/dbraw/zinc/95/83/63/682958363.db2.gz HLNCDXBKOYGCAT-QGZVFWFLSA-N 0 3 366.889 2.179 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000858493476 682972880 /nfs/dbraw/zinc/97/28/80/682972880.db2.gz VZJBUEVVTZZKAO-OAHLLOKOSA-N 0 3 366.868 2.312 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CC(C)(C)OC1=O ZINC000795717327 683084043 /nfs/dbraw/zinc/08/40/43/683084043.db2.gz KJQYDXTXFHRYQN-AAEUAGOBSA-N 0 3 357.435 2.498 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CNC[C@@H](O)c1c(F)cccc1Cl ZINC000863564050 683742816 /nfs/dbraw/zinc/74/28/16/683742816.db2.gz SPMPABODWSRYLC-CZUORRHYSA-N 0 3 364.804 2.414 20 30 FEEDHN CN1CCN(C2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)CC1 ZINC000866212782 684083390 /nfs/dbraw/zinc/08/33/90/684083390.db2.gz VRLRHBNTGXMBFI-UHFFFAOYSA-N 0 3 353.392 2.188 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)CCN(CC1CC1)C(=O)OC(C)(C)C ZINC000870142470 684687349 /nfs/dbraw/zinc/68/73/49/684687349.db2.gz JJTLRDBYTJXAJY-AWEZNQCLSA-N 0 3 351.447 2.257 20 30 FEEDHN CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)c1ccccc1 ZINC000872252667 684932408 /nfs/dbraw/zinc/93/24/08/684932408.db2.gz VIHMNFVCQHYVRJ-OALUTQOASA-N 0 3 358.463 2.434 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000875249172 685765558 /nfs/dbraw/zinc/76/55/58/685765558.db2.gz XSXIYWINHVXMHK-QGZVFWFLSA-N 0 3 351.878 2.193 20 30 FEEDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1C#N ZINC000875422591 686009068 /nfs/dbraw/zinc/00/90/68/686009068.db2.gz RBFGLVZIROWCGB-AWEZNQCLSA-N 0 3 350.394 2.091 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000876555682 686218567 /nfs/dbraw/zinc/21/85/67/686218567.db2.gz CQVNKZUUHMQDDA-NSHDSACASA-N 0 3 374.666 2.316 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000876603923 686227187 /nfs/dbraw/zinc/22/71/87/686227187.db2.gz FDHYOFTXZXAOTQ-HNNXBMFYSA-N 0 3 368.840 2.408 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000876634164 686233857 /nfs/dbraw/zinc/23/38/57/686233857.db2.gz ZSUXRIZXPUEUGZ-GFCCVEGCSA-N 0 3 353.831 2.290 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000876634003 686234158 /nfs/dbraw/zinc/23/41/58/686234158.db2.gz IZXXUWKSASAYHQ-LLVKDONJSA-N 0 3 374.666 2.282 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000876672945 686240190 /nfs/dbraw/zinc/24/01/90/686240190.db2.gz SNLWPZXYSOYFDO-GFCCVEGCSA-N 0 3 350.785 2.087 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000876680118 686242483 /nfs/dbraw/zinc/24/24/83/686242483.db2.gz AFDFQBOCYCRNRC-HNNXBMFYSA-N 0 3 353.806 2.435 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000876906111 686292315 /nfs/dbraw/zinc/29/23/15/686292315.db2.gz QRNXXEBHOHGBCF-CYBMUJFWSA-N 0 3 352.797 2.394 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000876910378 686293713 /nfs/dbraw/zinc/29/37/13/686293713.db2.gz YNMNBTYJIKMYQF-LBPRGKRZSA-N 0 3 371.890 2.496 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000876909866 686293873 /nfs/dbraw/zinc/29/38/73/686293873.db2.gz KYIMYWJAALJWNN-PWSUYJOCSA-N 0 3 357.863 2.453 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1cc(Br)cs1)C2 ZINC000884089808 687786813 /nfs/dbraw/zinc/78/68/13/687786813.db2.gz ANCFUZWJHTZHST-XIRUVYRFSA-N 0 3 354.273 2.266 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3cc(Br)ccc3C1)C2 ZINC000884322287 687848095 /nfs/dbraw/zinc/84/80/95/687848095.db2.gz JRHJTCSQJPQEMO-CSLYMUCUSA-N 0 3 374.282 2.473 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885478525 688082465 /nfs/dbraw/zinc/08/24/65/688082465.db2.gz QNZQNLWCFSLFOL-HUUCEWRRSA-N 0 3 352.475 2.380 20 30 FEEDHN C#CCN(C(=O)[C@@H](O)c1ccccc1C(F)(F)F)C1CCN(C)CC1 ZINC000886572745 688278088 /nfs/dbraw/zinc/27/80/88/688278088.db2.gz YPAPHVFMEDULTO-INIZCTEOSA-N 0 3 354.372 2.295 20 30 FEEDHN C#CCN(C(=O)c1ccc(OCC(F)(F)F)nc1)C1CCN(C)CC1 ZINC000886585340 688280161 /nfs/dbraw/zinc/28/01/61/688280161.db2.gz RLNAGHQHEYTOMS-UHFFFAOYSA-N 0 3 355.360 2.192 20 30 FEEDHN N#Cc1csc(CNC(=O)NCCCN2CCc3ccccc3C2)n1 ZINC000891892483 689123725 /nfs/dbraw/zinc/12/37/25/689123725.db2.gz JQMCEGUFZFUHJX-UHFFFAOYSA-N 0 3 355.467 2.262 20 30 FEEDHN N#Cc1c(Br)cccc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897220609 689990046 /nfs/dbraw/zinc/99/00/46/689990046.db2.gz CCHMAMXAQPPWDW-JKSUJKDBSA-N 0 3 350.260 2.356 20 30 FEEDHN CN(C(=O)NCc1nc(C#N)cs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000897289455 690000655 /nfs/dbraw/zinc/00/06/55/690000655.db2.gz XTQYZYSTRONSND-MRXNPFEDSA-N 0 3 355.467 2.431 20 30 FEEDHN C=C(CCN(C)C)C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000901175526 690621506 /nfs/dbraw/zinc/62/15/06/690621506.db2.gz QXFQUBYCICMZJR-AWEZNQCLSA-N 0 3 356.875 2.135 20 30 FEEDHN CC[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000902886657 690817334 /nfs/dbraw/zinc/81/73/34/690817334.db2.gz QSJBGLUFXXIONG-HZPDHXFCSA-N 0 3 364.492 2.495 20 30 FEEDHN N#Cc1ccc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164741589 720675811 /nfs/dbraw/zinc/67/58/11/720675811.db2.gz UHRUFVVHCAJLGU-MSOLQXFVSA-N 0 3 372.432 2.238 20 30 FEEDHN Cc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1CC#N ZINC001164880931 721157422 /nfs/dbraw/zinc/15/74/22/721157422.db2.gz XWMRUFATBLHSFS-PMACEKPBSA-N 0 3 363.465 2.331 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000499127637 889030914 /nfs/dbraw/zinc/03/09/14/889030914.db2.gz MVMHXYWTRAILSJ-CQSZACIVSA-N 0 3 353.430 2.005 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000029820690 539865120 /nfs/dbraw/zinc/86/51/20/539865120.db2.gz YROXLTRLTOTOCT-ZBFHGGJFSA-N 0 3 359.474 2.014 20 30 FEEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C1CCCCC1 ZINC000041642389 540028611 /nfs/dbraw/zinc/02/86/11/540028611.db2.gz PWTCHEXAEXWWJZ-GOSISDBHSA-N 0 3 372.469 2.154 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nnnn1C1CC1 ZINC000044120418 540118752 /nfs/dbraw/zinc/11/87/52/540118752.db2.gz GYPLRAASBAYIFW-UHFFFAOYSA-N 0 3 374.518 2.106 20 30 FEEDHN COc1cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000045521736 540215741 /nfs/dbraw/zinc/21/57/41/540215741.db2.gz ZGUYVDXFSPCVCG-UHFFFAOYSA-N 0 3 367.453 2.235 20 30 FEEDHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000050167352 540401907 /nfs/dbraw/zinc/40/19/07/540401907.db2.gz GHSVRYQAZVXJDJ-UHFFFAOYSA-N 0 3 374.485 2.332 20 30 FEEDHN CC1CCN(Cc2ccccc2CNS(=O)(=O)N(C)CCC#N)CC1 ZINC000056061960 540698125 /nfs/dbraw/zinc/69/81/25/540698125.db2.gz OGXLNKHNWAKILL-UHFFFAOYSA-N 0 3 364.515 2.098 20 30 FEEDHN CCC[NH+]1CCC(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000057255039 540782460 /nfs/dbraw/zinc/78/24/60/540782460.db2.gz JFENQAFMRMIKJM-UHFFFAOYSA-N 0 3 358.486 2.129 20 30 FEEDHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC(C#N)CC2)CC1 ZINC000057874986 540821595 /nfs/dbraw/zinc/82/15/95/540821595.db2.gz LOXHXJJEHWBKNA-UHFFFAOYSA-N 0 3 354.498 2.265 20 30 FEEDHN C=CCOc1cccc(NC(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000062410368 541148823 /nfs/dbraw/zinc/14/88/23/541148823.db2.gz MZYNPNFISGSDQG-UHFFFAOYSA-N 0 3 374.485 2.173 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000064270146 541198626 /nfs/dbraw/zinc/19/86/26/541198626.db2.gz BNAALKZIMIROST-UHFFFAOYSA-N 0 3 373.522 2.417 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000067345261 541446955 /nfs/dbraw/zinc/44/69/55/541446955.db2.gz RCMSJRODERWVFN-GJZGRUSLSA-N 0 3 372.469 2.132 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@@H]2C1 ZINC000542839637 541484089 /nfs/dbraw/zinc/48/40/89/541484089.db2.gz IQTSYVBHWZPNDX-SUMWQHHRSA-N 0 3 368.416 2.441 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCN1C ZINC000542838651 541484648 /nfs/dbraw/zinc/48/46/48/541484648.db2.gz MWMDCBAFBLDSGZ-STQMWFEESA-N 0 3 356.405 2.487 20 30 FEEDHN CC(C)N1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000069080661 541655479 /nfs/dbraw/zinc/65/54/79/541655479.db2.gz RBLUDNYHYAWCKL-UHFFFAOYSA-N 0 3 366.469 2.099 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C(=O)NCCC)CC1 ZINC000073800537 542000854 /nfs/dbraw/zinc/00/08/54/542000854.db2.gz BHCSIRJUVKQUOX-LJQANCHMSA-N 0 3 360.498 2.393 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)C(C)C ZINC000247399924 549329156 /nfs/dbraw/zinc/32/91/56/549329156.db2.gz RGAIHZLITCVIPM-BRWVUGGUSA-N 0 3 350.507 2.028 20 30 FEEDHN C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1CCCCCC1 ZINC000074563528 542098267 /nfs/dbraw/zinc/09/82/67/542098267.db2.gz WXOXQMTULZMKJV-MRXNPFEDSA-N 0 3 355.486 2.303 20 30 FEEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)COCc2ccco2)CC1 ZINC000076199773 542242858 /nfs/dbraw/zinc/24/28/58/542242858.db2.gz XWARBFOCHXKKIU-SFHVURJKSA-N 0 3 355.438 2.241 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000076980432 542337206 /nfs/dbraw/zinc/33/72/06/542337206.db2.gz PYCSPVZXZIBYNQ-LJQANCHMSA-N 0 3 356.470 2.201 20 30 FEEDHN CCN1CC[C@H](NCC(=O)NCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801958065 674157047 /nfs/dbraw/zinc/15/70/47/674157047.db2.gz WHKZKHLNJNCJLN-DOTOQJQBSA-N 0 3 352.841 2.234 20 30 FEEDHN N#CCC[C@@H](NC1CCN(CCN2CCOCC2)CC1)c1ccccc1 ZINC000090665461 542788553 /nfs/dbraw/zinc/78/85/53/542788553.db2.gz VYEGRYLOLRZLJH-OAQYLSRUSA-N 0 3 356.514 2.418 20 30 FEEDHN CN1CCN(C[C@H](NCc2cnc3ccc(C#N)cn23)c2ccccc2)CC1 ZINC000092175231 542847410 /nfs/dbraw/zinc/84/74/10/542847410.db2.gz DTGCTHWVURFUMZ-NRFANRHFSA-N 0 3 374.492 2.284 20 30 FEEDHN C=CCOc1ccc(CN2CC[C@H](N3CCN(CC)CC3)C2)cc1OC ZINC000093133055 542910876 /nfs/dbraw/zinc/91/08/76/542910876.db2.gz BIONJQAQXLCZPE-IBGZPJMESA-N 0 3 359.514 2.472 20 30 FEEDHN COC(=O)C(C)(C)[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000093281515 542923907 /nfs/dbraw/zinc/92/39/07/542923907.db2.gz SBTBFFCYKHUKOZ-IRXDYDNUSA-N 0 3 360.454 2.209 20 30 FEEDHN N#Cc1ccc(N2CCC(NCc3nccn3CC(F)(F)F)CC2)nc1 ZINC000105429480 543173854 /nfs/dbraw/zinc/17/38/54/543173854.db2.gz XGHIHSIRPYHCHS-UHFFFAOYSA-N 0 3 364.375 2.471 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)CC1 ZINC000106037385 543186005 /nfs/dbraw/zinc/18/60/05/543186005.db2.gz JBFVJPPTXPSYMC-MRXNPFEDSA-N 0 3 371.481 2.205 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000106265889 543221658 /nfs/dbraw/zinc/22/16/58/543221658.db2.gz IJYOXYUGCIXNNF-UHFFFAOYSA-N 0 3 372.513 2.363 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC000106290655 543221811 /nfs/dbraw/zinc/22/18/11/543221811.db2.gz ACWNEULAFJNQDD-NRFANRHFSA-N 0 3 371.525 2.341 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(N(C)C)cc2C)CC1 ZINC000106349535 543224652 /nfs/dbraw/zinc/22/46/52/543224652.db2.gz OTCSEKYWVZKFOL-UHFFFAOYSA-N 0 3 358.486 2.156 20 30 FEEDHN COc1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1OCCCC#N ZINC000106379793 543227189 /nfs/dbraw/zinc/22/71/89/543227189.db2.gz BOOYDCQCFAVSOG-SFHVURJKSA-N 0 3 359.470 2.331 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)CC1 ZINC000108733266 543300729 /nfs/dbraw/zinc/30/07/29/543300729.db2.gz QFOIPLOBMHLUJC-UHFFFAOYSA-N 0 3 352.442 2.069 20 30 FEEDHN CC(C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000114685799 543529915 /nfs/dbraw/zinc/52/99/15/543529915.db2.gz BKUQOVCJPKBNPP-KDOFPFPSSA-N 0 3 372.446 2.380 20 30 FEEDHN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000117077071 543623264 /nfs/dbraw/zinc/62/32/64/543623264.db2.gz NWJBWCSKWUNGTG-LBPRGKRZSA-N 0 3 353.850 2.300 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)N(C)C1CC1 ZINC000118128972 543647610 /nfs/dbraw/zinc/64/76/10/543647610.db2.gz FZHYSVQCKCNGCB-ZDUSSCGKSA-N 0 3 360.483 2.230 20 30 FEEDHN C#CCOc1cccc(NC(=O)NC[C@H](C)CN2CCN(CC)CC2)c1 ZINC000118821251 543659781 /nfs/dbraw/zinc/65/97/81/543659781.db2.gz BPVONZWKLITJEH-KRWDZBQOSA-N 0 3 358.486 2.094 20 30 FEEDHN C[C@H]1CN(CC2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@H](C)O1 ZINC000118894249 543660873 /nfs/dbraw/zinc/66/08/73/543660873.db2.gz VWOIDZKMBNDRNM-HOTGVXAUSA-N 0 3 374.489 2.150 20 30 FEEDHN CN1CCN([C@@H]2CCCCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000126280903 543927740 /nfs/dbraw/zinc/92/77/40/543927740.db2.gz GLSMIXRLZZQBIB-QGZVFWFLSA-N 0 3 359.449 2.331 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CC1 ZINC000127057675 543970910 /nfs/dbraw/zinc/97/09/10/543970910.db2.gz IZIRWGDKVNTOQX-UHFFFAOYSA-N 0 3 369.509 2.175 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CN1C1CC1 ZINC000127834459 544016047 /nfs/dbraw/zinc/01/60/47/544016047.db2.gz AZBPLNZRKPIONS-GDBMZVCRSA-N 0 3 371.460 2.154 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000127930221 544022607 /nfs/dbraw/zinc/02/26/07/544022607.db2.gz RGXRRJCCMHKELZ-MSOLQXFVSA-N 0 3 358.467 2.302 20 30 FEEDHN N#Cc1ccc(C(F)(F)F)c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000127996165 544026798 /nfs/dbraw/zinc/02/67/98/544026798.db2.gz ANWJGJRPNNLRRT-HNNXBMFYSA-N 0 3 366.387 2.496 20 30 FEEDHN C=C(C)COCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000135022590 544331560 /nfs/dbraw/zinc/33/15/60/544331560.db2.gz FLFBCFPUCXWTQW-CALCHBBNSA-N 0 3 353.507 2.110 20 30 FEEDHN C=CCNc1ncc(C(=O)NC2CCN(CCOC(C)C)CC2)s1 ZINC000136314649 544370999 /nfs/dbraw/zinc/37/09/99/544370999.db2.gz HVPIIBBNMFLKNT-UHFFFAOYSA-N 0 3 352.504 2.360 20 30 FEEDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000247508716 549348112 /nfs/dbraw/zinc/34/81/12/549348112.db2.gz MZFDZRFJFKVREQ-WFASDCNBSA-N 0 3 353.875 2.316 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000152403283 544648652 /nfs/dbraw/zinc/64/86/52/544648652.db2.gz OGLUKDGCPLHBPS-WMZOPIPTSA-N 0 3 367.453 2.104 20 30 FEEDHN CC(=O)N(C)C1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179998022 327667536 /nfs/dbraw/zinc/66/75/36/327667536.db2.gz MCHFCUCCEZEZNX-UHFFFAOYSA-N 0 3 351.454 2.401 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000190022140 328183096 /nfs/dbraw/zinc/18/30/96/328183096.db2.gz SAUCFCXSDWCJDE-CQSZACIVSA-N 0 3 360.845 2.237 20 30 FEEDHN Cc1nc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1C#N ZINC000192220137 328307543 /nfs/dbraw/zinc/30/75/43/328307543.db2.gz LSPLPZAAQDZMKN-LJQANCHMSA-N 0 3 364.449 2.283 20 30 FEEDHN N#Cc1cc(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000192987395 328350705 /nfs/dbraw/zinc/35/07/05/328350705.db2.gz UXXXUOTUVGZPPX-MRXNPFEDSA-N 0 3 373.453 2.498 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000084347669 325234111 /nfs/dbraw/zinc/23/41/11/325234111.db2.gz XTQGVKXJQQEEHC-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000092282848 325408794 /nfs/dbraw/zinc/40/87/94/325408794.db2.gz HJHWKBDCNOZQNM-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1C#N ZINC000119441632 326162923 /nfs/dbraw/zinc/16/29/23/326162923.db2.gz LFGVRBJVFQDEAE-YOEHRIQHSA-N 0 3 372.469 2.083 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000121315579 326328830 /nfs/dbraw/zinc/32/88/30/326328830.db2.gz FBJRBQBYOZGPKO-UHFFFAOYSA-N 0 3 364.449 2.088 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163631992 327055407 /nfs/dbraw/zinc/05/54/07/327055407.db2.gz ANXVBGSAQGFJHG-KRWDZBQOSA-N 0 3 372.513 2.280 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000163631992 327055408 /nfs/dbraw/zinc/05/54/08/327055408.db2.gz ANXVBGSAQGFJHG-KRWDZBQOSA-N 0 3 372.513 2.280 20 30 FEEDHN CNC(=O)c1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000172804335 327220287 /nfs/dbraw/zinc/22/02/87/327220287.db2.gz CWJLZRCSRZNUHP-UHFFFAOYSA-N 0 3 364.449 2.122 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)ccc1F ZINC000173866916 327289910 /nfs/dbraw/zinc/28/99/10/327289910.db2.gz GEQLEGGXAVKGEA-OAHLLOKOSA-N 0 3 351.447 2.240 20 30 FEEDHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175953353 327423902 /nfs/dbraw/zinc/42/39/02/327423902.db2.gz LXKRDPPOAIXRDV-UHFFFAOYSA-N 0 3 362.449 2.462 20 30 FEEDHN N#Cc1cc(S(=O)(=O)NC2CCN(C3CCCC3)CC2)ccc1F ZINC000176939650 327486280 /nfs/dbraw/zinc/48/62/80/327486280.db2.gz FZZKFFNFLXVZGE-UHFFFAOYSA-N 0 3 351.447 2.383 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000264679888 329047613 /nfs/dbraw/zinc/04/76/13/329047613.db2.gz YJLMJYHXBFJPBX-UHFFFAOYSA-N 0 3 372.488 2.464 20 30 FEEDHN CCO[C@H]1C[C@@H](O)C12CCN(CCOc1ccc(C#N)cc1OC)CC2 ZINC000265954123 329176115 /nfs/dbraw/zinc/17/61/15/329176115.db2.gz HWLWHBHOSLCQGN-MOPGFXCFSA-N 0 3 360.454 2.198 20 30 FEEDHN COCCCN(C)CCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000266139421 329194134 /nfs/dbraw/zinc/19/41/34/329194134.db2.gz GLTVTVYFRARTCF-UHFFFAOYSA-N 0 3 371.437 2.428 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1N(C)C ZINC000270659676 329619466 /nfs/dbraw/zinc/61/94/66/329619466.db2.gz OJQXQXVMESMHTE-TUKIKUTGSA-N 0 3 350.488 2.073 20 30 FEEDHN N#Cc1ccc(OCC(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000271672048 329714002 /nfs/dbraw/zinc/71/40/02/329714002.db2.gz LMFBHLCJDKUBAQ-UHFFFAOYSA-N 0 3 350.422 2.365 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@H]1N1CCCC1 ZINC000274190952 329924560 /nfs/dbraw/zinc/92/45/60/329924560.db2.gz LOXTVXHZLSYCMP-HUUCEWRRSA-N 0 3 351.422 2.488 20 30 FEEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000275171843 330017989 /nfs/dbraw/zinc/01/79/89/330017989.db2.gz BDFJXNXYZBPBCM-IAGOWNOFSA-N 0 3 353.426 2.230 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CCN(C)[C@H](C)C3)CC2)o1 ZINC000276415343 330149737 /nfs/dbraw/zinc/14/97/37/330149737.db2.gz JBHRHMMEJDIWDQ-CJNGLKHVSA-N 0 3 359.474 2.012 20 30 FEEDHN CN(CC(=O)NCc1cccnc1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328622254 522405183 /nfs/dbraw/zinc/40/51/83/522405183.db2.gz BARYSYFWJZHXDV-FXAWDEMLSA-N 0 3 370.501 2.287 20 30 FEEDHN C=CC1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCCN(C)C)CC1 ZINC000164457644 546151108 /nfs/dbraw/zinc/15/11/08/546151108.db2.gz FLZREIYQFBZGNM-UHFFFAOYSA-N 0 3 359.470 2.299 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3scnc3c2)CC1 ZINC000171621102 546215967 /nfs/dbraw/zinc/21/59/67/546215967.db2.gz SVRXHTKNHCCLMG-UHFFFAOYSA-N 0 3 358.467 2.392 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](C(CC)CC)N2CCOCC2)CC1 ZINC000171707866 546219609 /nfs/dbraw/zinc/21/96/09/546219609.db2.gz OXOCVXTWLRFDBS-LJQANCHMSA-N 0 3 366.550 2.073 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCNC(=O)CC2CCCCC2)CC1 ZINC000171730676 546221431 /nfs/dbraw/zinc/22/14/31/546221431.db2.gz HKWAXVUUQUXQRN-UHFFFAOYSA-N 0 3 350.507 2.023 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1 ZINC000171722013 546221650 /nfs/dbraw/zinc/22/16/50/546221650.db2.gz YNJMVEYZVCVUNQ-MRXNPFEDSA-N 0 3 371.481 2.123 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000171740685 546223333 /nfs/dbraw/zinc/22/33/33/546223333.db2.gz AQWWYNXYKXLHKC-UHFFFAOYSA-N 0 3 369.469 2.256 20 30 FEEDHN C=CCN1CCC(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000173578816 546283459 /nfs/dbraw/zinc/28/34/59/546283459.db2.gz DNAKHJYWQMDOLR-UHFFFAOYSA-N 0 3 355.482 2.305 20 30 FEEDHN CN(CCC#N)c1ccc(CNCc2cccc(OCC(N)=O)c2)cc1 ZINC000174603699 546300192 /nfs/dbraw/zinc/30/01/92/546300192.db2.gz YVSFKFXRNFTOEF-UHFFFAOYSA-N 0 3 352.438 2.190 20 30 FEEDHN C=CCN1CCC(NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)CC1 ZINC000176159205 546415586 /nfs/dbraw/zinc/41/55/86/546415586.db2.gz OLBKFGGFWMMUCE-UHFFFAOYSA-N 0 3 372.517 2.012 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@H]1[C@@H]1CCCO1)C(C)C ZINC000480521728 561211118 /nfs/dbraw/zinc/21/11/18/561211118.db2.gz UQDIILNHRDYMRN-QYZOEREBSA-N 0 3 365.518 2.274 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OCCC)CC1 ZINC000177240080 546576727 /nfs/dbraw/zinc/57/67/27/546576727.db2.gz CNZRDBNKKRCGLA-UHFFFAOYSA-N 0 3 363.433 2.320 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1 ZINC000177667260 546662860 /nfs/dbraw/zinc/66/28/60/546662860.db2.gz QYEGWHRERGZQNI-UHFFFAOYSA-N 0 3 369.462 2.142 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000481132557 561225912 /nfs/dbraw/zinc/22/59/12/561225912.db2.gz XKEVSYTVPAMXTM-MSOLQXFVSA-N 0 3 357.498 2.438 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000178903926 546871501 /nfs/dbraw/zinc/87/15/01/546871501.db2.gz OJAHQSMWPSEKOE-CQSZACIVSA-N 0 3 359.470 2.468 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000481782577 561242116 /nfs/dbraw/zinc/24/21/16/561242116.db2.gz YGLYBVZETQDAIJ-HOTGVXAUSA-N 0 3 363.527 2.499 20 30 FEEDHN N#CCCn1cc(CN2CCC[C@@H](OCCO)C2)c(-c2ccccc2)n1 ZINC000179571259 546979701 /nfs/dbraw/zinc/97/97/01/546979701.db2.gz MJCCAYVWIAQREY-LJQANCHMSA-N 0 3 354.454 2.437 20 30 FEEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCOCC1 ZINC000179864052 547022311 /nfs/dbraw/zinc/02/23/11/547022311.db2.gz ICSUNVLCBAJTGH-AWEZNQCLSA-N 0 3 353.426 2.087 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)N(C)C ZINC000181661242 547355890 /nfs/dbraw/zinc/35/58/90/547355890.db2.gz URFUJJMEVJWBFH-HUUCEWRRSA-N 0 3 360.458 2.008 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000483497620 561278367 /nfs/dbraw/zinc/27/83/67/561278367.db2.gz UVIHFRQYXJOCDZ-DOTOQJQBSA-N 0 3 359.470 2.304 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000182011395 547421779 /nfs/dbraw/zinc/42/17/79/547421779.db2.gz SDGQXUKESFJOOO-OALUTQOASA-N 0 3 368.481 2.468 20 30 FEEDHN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(-n2ccnn2)cc1 ZINC000182050051 547429342 /nfs/dbraw/zinc/42/93/42/547429342.db2.gz BENLUHWNVSIVSV-HNNXBMFYSA-N 0 3 352.442 2.261 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3ccc(C)cc3)CC2)o1 ZINC000182351353 547477008 /nfs/dbraw/zinc/47/70/08/547477008.db2.gz KKLBSVDLYVVPSV-HNNXBMFYSA-N 0 3 367.453 2.163 20 30 FEEDHN CCO[C@@H]1COCC[C@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000484636138 561301676 /nfs/dbraw/zinc/30/16/76/561301676.db2.gz BQKYKUSAKIESQI-IEBWSBKVSA-N 0 3 359.470 2.334 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)CN1CCCCCC1 ZINC000186771596 548189390 /nfs/dbraw/zinc/18/93/90/548189390.db2.gz HBILOGZDMGNZLR-AWEZNQCLSA-N 0 3 351.472 2.110 20 30 FEEDHN C#CCOc1ccccc1NC(=O)NCCCCN1CCN(CC)CC1 ZINC000188030719 548269447 /nfs/dbraw/zinc/26/94/47/548269447.db2.gz AAGPHLJFKMUELH-UHFFFAOYSA-N 0 3 358.486 2.238 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000189278370 548298700 /nfs/dbraw/zinc/29/87/00/548298700.db2.gz WOXYCJBUFKNTLP-MRXNPFEDSA-N 0 3 356.388 2.375 20 30 FEEDHN COc1ccc(O)c(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190838661 548335175 /nfs/dbraw/zinc/33/51/75/548335175.db2.gz IBUSECFLHPBDAA-GOSISDBHSA-N 0 3 351.406 2.163 20 30 FEEDHN C=CCN(CCOC)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000191129943 548340618 /nfs/dbraw/zinc/34/06/18/548340618.db2.gz SFVZHVYJKCSWPC-SFHVURJKSA-N 0 3 359.514 2.290 20 30 FEEDHN C#CCCCC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000192099577 548358942 /nfs/dbraw/zinc/35/89/42/548358942.db2.gz AUOMEAHDCJBDDY-LJQANCHMSA-N 0 3 354.498 2.246 20 30 FEEDHN N#Cc1ccc(CN2CCCN(C(=O)C3CCN(C4CC4)CC3)CC2)cc1 ZINC000193962062 548414189 /nfs/dbraw/zinc/41/41/89/548414189.db2.gz DDJNUFONCKAEPL-UHFFFAOYSA-N 0 3 366.509 2.467 20 30 FEEDHN C[C@@H](C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000486560359 561350804 /nfs/dbraw/zinc/35/08/04/561350804.db2.gz NWCDWHKCJFVKEL-VGSWGCGISA-N 0 3 363.461 2.415 20 30 FEEDHN C=CCc1cc(CNC(=O)C[C@@H]2CSCCN2)cc(OC)c1OC ZINC000237342561 548819356 /nfs/dbraw/zinc/81/93/56/548819356.db2.gz IZQLAHDDQFBEEA-OAHLLOKOSA-N 0 3 350.484 2.144 20 30 FEEDHN CN1CCN(CCCNC(=O)c2ccnc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000248821052 549506672 /nfs/dbraw/zinc/50/66/72/549506672.db2.gz BQJFMRJHKJHWSY-HXUWFJFHSA-N 0 3 363.465 2.062 20 30 FEEDHN CC[S@](=O)[C@H]1CCC[C@@H](NC(NCc2ccc([O-])c(F)c2)=[NH+]C)C1 ZINC000261823616 549759782 /nfs/dbraw/zinc/75/97/82/549759782.db2.gz USDKDONVRMMVNC-CDEUHXGRSA-N 0 3 355.479 2.276 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000264343810 549994454 /nfs/dbraw/zinc/99/44/54/549994454.db2.gz JGNTZHJKZOFYQR-KRWDZBQOSA-N 0 3 358.486 2.224 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000264367025 549994623 /nfs/dbraw/zinc/99/46/23/549994623.db2.gz IOQWEFZCNBUFCR-UHFFFAOYSA-N 0 3 373.453 2.289 20 30 FEEDHN C=C(C)CN1CCC(Nc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 ZINC000264522785 549997274 /nfs/dbraw/zinc/99/72/74/549997274.db2.gz XHRFZVSVBVMLKN-UHFFFAOYSA-N 0 3 364.515 2.319 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264510754 549997476 /nfs/dbraw/zinc/99/74/76/549997476.db2.gz SYYVOBCFVZAAFG-KRWDZBQOSA-N 0 3 357.454 2.277 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)c1nnc2n1CCC2)C(C)C ZINC000264534294 549997594 /nfs/dbraw/zinc/99/75/94/549997594.db2.gz LUCVBYHZNZLRBX-CVEARBPZSA-N 0 3 360.506 2.283 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000265347367 550008850 /nfs/dbraw/zinc/00/88/50/550008850.db2.gz APPHSBUTOQMHMH-ZDUSSCGKSA-N 0 3 360.483 2.230 20 30 FEEDHN COCCN1CC[C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000265469914 550010305 /nfs/dbraw/zinc/01/03/05/550010305.db2.gz HUWORRDDPCOQIT-HXUWFJFHSA-N 0 3 364.449 2.324 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(Cn2ccnn2)CC1)C(C)C ZINC000269961387 550239864 /nfs/dbraw/zinc/23/98/64/550239864.db2.gz HPUDNODHGAKDNY-LJQANCHMSA-N 0 3 374.533 2.398 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000270432822 550272186 /nfs/dbraw/zinc/27/21/86/550272186.db2.gz BZPNPBJPMCHJBL-UHFFFAOYSA-N 0 3 357.458 2.461 20 30 FEEDHN C[C@@H](NC(=O)NCc1ccnc(OCCN(C)C)c1)c1ccc(C#N)cc1 ZINC000270578635 550285762 /nfs/dbraw/zinc/28/57/62/550285762.db2.gz PHYUNKDHYWKKKF-OAHLLOKOSA-N 0 3 367.453 2.454 20 30 FEEDHN C[C@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000272144842 550425427 /nfs/dbraw/zinc/42/54/27/550425427.db2.gz UCHAALCRNWGCOR-BLLLJJGKSA-N 0 3 368.359 2.423 20 30 FEEDHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(C)(C#N)CC1 ZINC000272619715 550461234 /nfs/dbraw/zinc/46/12/34/550461234.db2.gz UORPPRUWURCOJX-HKUYNNGSSA-N 0 3 354.498 2.391 20 30 FEEDHN C=CCCOCCNC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000272931500 550477110 /nfs/dbraw/zinc/47/71/10/550477110.db2.gz CHNJKGNPYLDVQL-IBGZPJMESA-N 0 3 361.486 2.035 20 30 FEEDHN C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)C1=CCN(C)CC1 ZINC000273056279 550482864 /nfs/dbraw/zinc/48/28/64/550482864.db2.gz XYUREECZYVRPEF-INIZCTEOSA-N 0 3 353.470 2.040 20 30 FEEDHN COc1ccc2c(c1)[C@@H](NCCNC(=O)C1N=CC=CC1=O)CCS2 ZINC000276138318 550576961 /nfs/dbraw/zinc/57/69/61/550576961.db2.gz MYIPNSPRALGVPK-DNZUHHBVSA-N 0 3 359.451 2.348 20 30 FEEDHN CC(C)(C)[S@](=O)CCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278570216 550800159 /nfs/dbraw/zinc/80/01/59/550800159.db2.gz DNOYOBCVRHSYIW-RUZDIDTESA-N 0 3 359.499 2.496 20 30 FEEDHN CCn1nccc1C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000278763466 550819429 /nfs/dbraw/zinc/81/94/29/550819429.db2.gz BSCZGJUQLCTTMG-GOSISDBHSA-N 0 3 354.454 2.394 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC000279570578 550904377 /nfs/dbraw/zinc/90/43/77/550904377.db2.gz PRCUJAWAPQIFHV-GOSISDBHSA-N 0 3 352.438 2.149 20 30 FEEDHN COc1ccc2c(c1)OC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000279923878 550943386 /nfs/dbraw/zinc/94/33/86/550943386.db2.gz FNBBMJSFRLJOFB-QZTJIDSGSA-N 0 3 361.401 2.369 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H](N4CCCCC4)C3)CC2)o1 ZINC000280515909 551002716 /nfs/dbraw/zinc/00/27/16/551002716.db2.gz MHXCYPKEFIBFKU-QGZVFWFLSA-N 0 3 371.485 2.158 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000280751621 551028206 /nfs/dbraw/zinc/02/82/06/551028206.db2.gz HXOIDUNQRWFOQA-IBGZPJMESA-N 0 3 373.460 2.416 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3cccc(O)c3)CC2)cc1 ZINC000280751686 551028212 /nfs/dbraw/zinc/02/82/12/551028212.db2.gz HZXSCGJGKLTMGV-GOSISDBHSA-N 0 3 360.417 2.295 20 30 FEEDHN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281113285 551064883 /nfs/dbraw/zinc/06/48/83/551064883.db2.gz FDDISNNORKGCPQ-XJKSGUPXSA-N 0 3 356.426 2.270 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOCC(F)(F)C(F)F)cc1 ZINC000281278791 551080482 /nfs/dbraw/zinc/08/04/82/551080482.db2.gz RUIRVOXFMHUEEU-CYBMUJFWSA-N 0 3 357.307 2.274 20 30 FEEDHN COc1cc(CN[C@@H](C)CN2CCN(c3ccccn3)CC2)ccc1C#N ZINC000281644263 551124923 /nfs/dbraw/zinc/12/49/23/551124923.db2.gz JEMSCCLUJDIHFH-KRWDZBQOSA-N 0 3 365.481 2.262 20 30 FEEDHN N#CC1(CCCN2CCN(c3ccc(C(N)=O)cc3)CC2)CCOCC1 ZINC000281878529 551152171 /nfs/dbraw/zinc/15/21/71/551152171.db2.gz CTCVADFDEYDIRF-UHFFFAOYSA-N 0 3 356.470 2.008 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000497511794 561502688 /nfs/dbraw/zinc/50/26/88/561502688.db2.gz YPWZQWHFUGSMPO-GOSISDBHSA-N 0 3 362.518 2.293 20 30 FEEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000282893133 551282595 /nfs/dbraw/zinc/28/25/95/551282595.db2.gz DSPRTQFAQARAFG-OAHLLOKOSA-N 0 3 352.504 2.049 20 30 FEEDHN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000283126118 551315656 /nfs/dbraw/zinc/31/56/56/551315656.db2.gz CEUHVEZLWCKVLE-QGZVFWFLSA-N 0 3 372.517 2.155 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)c2cc(C)ccc2OC)CC1 ZINC000283556327 551387131 /nfs/dbraw/zinc/38/71/31/551387131.db2.gz QWZWUXXSERWESR-MRXNPFEDSA-N 0 3 373.497 2.338 20 30 FEEDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1sccc1C#N ZINC000497987981 561513317 /nfs/dbraw/zinc/51/33/17/561513317.db2.gz FEIILQPQUYZQAK-OAHLLOKOSA-N 0 3 363.483 2.499 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1CCC[C@@H]1CCO ZINC000285585267 551778790 /nfs/dbraw/zinc/77/87/90/551778790.db2.gz BEMOAPPIRYHCST-GVDBMIGSSA-N 0 3 359.470 2.471 20 30 FEEDHN CN(CCC#N)C(=O)CCN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000286328814 551874789 /nfs/dbraw/zinc/87/47/89/551874789.db2.gz DQLKBTMZMRIXEO-INIZCTEOSA-N 0 3 368.275 2.008 20 30 FEEDHN N#Cc1ccc(N2CC[C@@H](C(=O)NC3CCN(C4CC4)CC3)C2)c(F)c1 ZINC000286381478 551881336 /nfs/dbraw/zinc/88/13/36/551881336.db2.gz QHGFPCGFFOTBMV-OAHLLOKOSA-N 0 3 356.445 2.267 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC2CC(C)(c3ccccc3)C2)CC1 ZINC000286410152 551884697 /nfs/dbraw/zinc/88/46/97/551884697.db2.gz FDVHXOTYLJHNQY-UHFFFAOYSA-N 0 3 369.509 2.380 20 30 FEEDHN CNC(=O)CC[C@@H]1CCCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000286471929 551889788 /nfs/dbraw/zinc/88/97/88/551889788.db2.gz NTBXMSMHOUAZQA-PKOBYXMFSA-N 0 3 368.481 2.434 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CC)[C@@H](C)c2cccnc2)CC1 ZINC000286483161 551891150 /nfs/dbraw/zinc/89/11/50/551891150.db2.gz JJEDOXQKHSLIRF-INIZCTEOSA-N 0 3 358.486 2.148 20 30 FEEDHN COc1cc(OC)c2ncc(C#N)c(NCCCN3CCC(O)CC3)c2c1 ZINC000286518101 551895275 /nfs/dbraw/zinc/89/52/75/551895275.db2.gz XGKQJJVPZCFTQS-UHFFFAOYSA-N 0 3 370.453 2.382 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000286541172 551897714 /nfs/dbraw/zinc/89/77/14/551897714.db2.gz CDJHOUVCCCTIJY-IUODEOHRSA-N 0 3 353.875 2.459 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CCc3ccccc32)CC1 ZINC000286808979 551928116 /nfs/dbraw/zinc/92/81/16/551928116.db2.gz VMJBNSJOIKHPKF-IBGZPJMESA-N 0 3 355.482 2.289 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)o1 ZINC000286811631 551928594 /nfs/dbraw/zinc/92/85/94/551928594.db2.gz UJWQIUSPYQDUQR-LJQANCHMSA-N 0 3 371.462 2.438 20 30 FEEDHN COc1ccc(CN2CC[C@H](N[C@@H]3CCC[C@@H](C#N)C3)C2=O)c(OC)c1 ZINC000287155827 551970215 /nfs/dbraw/zinc/97/02/15/551970215.db2.gz SWQGQGNOWAVXKF-KYJSFNMBSA-N 0 3 357.454 2.477 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCCO2)cc1 ZINC000287455741 552006482 /nfs/dbraw/zinc/00/64/82/552006482.db2.gz XFIYWIZYOYHKLR-TZMCWYRMSA-N 0 3 351.428 2.063 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000287996759 552072811 /nfs/dbraw/zinc/07/28/11/552072811.db2.gz GNAVWLCJNCILEP-SWLSCSKDSA-N 0 3 360.845 2.235 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000287996728 552072813 /nfs/dbraw/zinc/07/28/13/552072813.db2.gz GNAVWLCJNCILEP-DOMZBBRYSA-N 0 3 360.845 2.235 20 30 FEEDHN N=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1cc(F)ccc1F ZINC000288666474 552194824 /nfs/dbraw/zinc/19/48/24/552194824.db2.gz HCPNVFPJFGYYCL-MRXNPFEDSA-N 0 3 360.408 2.111 20 30 FEEDHN C[C@@H]1CC[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000499916503 561561605 /nfs/dbraw/zinc/56/16/05/561561605.db2.gz RVSAGCLOZBCJGN-VQIMIIECSA-N 0 3 370.497 2.001 20 30 FEEDHN C#CCCOc1ccc(CN2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 ZINC000289829223 552385285 /nfs/dbraw/zinc/38/52/85/552385285.db2.gz OPLGATQDCXXAJR-UHFFFAOYSA-N 0 3 369.509 2.075 20 30 FEEDHN CN(C)CCN(Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(C#N)cc1 ZINC000289944940 552403704 /nfs/dbraw/zinc/40/37/04/552403704.db2.gz XJEZLUJMWSOFHA-UHFFFAOYSA-N 0 3 353.470 2.152 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N1CCCC[C@@H]1C ZINC000500806195 561583150 /nfs/dbraw/zinc/58/31/50/561583150.db2.gz FNFWWENIXIFLTH-KBPBESRZSA-N 0 3 353.463 2.380 20 30 FEEDHN C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)CC1 ZINC000290384193 552470612 /nfs/dbraw/zinc/47/06/12/552470612.db2.gz MZIKIDJHTWYVJN-UHFFFAOYSA-N 0 3 366.469 2.447 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000500934567 561586070 /nfs/dbraw/zinc/58/60/70/561586070.db2.gz JKSAUIKOKHFJDL-BBRMVZONSA-N 0 3 353.463 2.332 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000500934570 561586111 /nfs/dbraw/zinc/58/61/11/561586111.db2.gz JKSAUIKOKHFJDL-CZUORRHYSA-N 0 3 353.463 2.332 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H](c1ccccc1)N(C)C ZINC000291247213 552605733 /nfs/dbraw/zinc/60/57/33/552605733.db2.gz JRDVGEPCOIGATQ-SCLBCKFNSA-N 0 3 368.412 2.443 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@@H]1N(C)C ZINC000293317566 552810837 /nfs/dbraw/zinc/81/08/37/552810837.db2.gz FJAWZEWIYBRSKW-RYUDHWBXSA-N 0 3 358.389 2.090 20 30 FEEDHN C=CCC(C)(C)CNC(=O)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000293359365 552815183 /nfs/dbraw/zinc/81/51/83/552815183.db2.gz LHGBVTQOEHNTEV-UHFFFAOYSA-N 0 3 361.490 2.197 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000293481703 552828177 /nfs/dbraw/zinc/82/81/77/552828177.db2.gz VPQOCNAISCFZFU-UHFFFAOYSA-N 0 3 357.385 2.096 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000293902294 552866598 /nfs/dbraw/zinc/86/65/98/552866598.db2.gz WCFHLJQOMRETGM-UHFFFAOYSA-N 0 3 373.478 2.032 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cccc(C)c1NC(=O)c1ccncc1 ZINC000294068686 552879377 /nfs/dbraw/zinc/87/93/77/552879377.db2.gz VSIBXQXPQOBVQA-UHFFFAOYSA-N 0 3 364.449 2.327 20 30 FEEDHN COCCCN(C(=O)c1cc(C#N)cc(N(C)C)c1)C1CCN(C)CC1 ZINC000294794537 552934585 /nfs/dbraw/zinc/93/45/85/552934585.db2.gz SYPGFZLQBSXEAN-UHFFFAOYSA-N 0 3 358.486 2.197 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNc2ncc(Br)cc2C#N)CC1 ZINC000294800536 552935283 /nfs/dbraw/zinc/93/52/83/552935283.db2.gz CEUSUBYVRPCUFN-ZDUSSCGKSA-N 0 3 366.307 2.401 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295133291 552962122 /nfs/dbraw/zinc/96/21/22/552962122.db2.gz LHKGWPKEMRIQMG-MJGOQNOKSA-N 0 3 372.513 2.205 20 30 FEEDHN CC1(C)OCC[C@@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000295133673 552962217 /nfs/dbraw/zinc/96/22/17/552962217.db2.gz BEFCLOLHIAYVTK-HNNXBMFYSA-N 0 3 354.372 2.330 20 30 FEEDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295250321 552975748 /nfs/dbraw/zinc/97/57/48/552975748.db2.gz QKGCLTWWBREUSM-QGZVFWFLSA-N 0 3 353.463 2.333 20 30 FEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000296799008 553213222 /nfs/dbraw/zinc/21/32/22/553213222.db2.gz KAHAEORGFGHWKD-KRWDZBQOSA-N 0 3 372.469 2.154 20 30 FEEDHN C[C@H]1CCN(C)CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000502977801 561631401 /nfs/dbraw/zinc/63/14/01/561631401.db2.gz BFWPIQZZAJGDNG-DOTOQJQBSA-N 0 3 373.476 2.402 20 30 FEEDHN C[C@@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N(C)C ZINC000298396389 553420241 /nfs/dbraw/zinc/42/02/41/553420241.db2.gz FKFJIKKMSKTBNV-ZDUSSCGKSA-N 0 3 371.441 2.089 20 30 FEEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@@H]1CCNC1=O ZINC000298419102 553423064 /nfs/dbraw/zinc/42/30/64/553423064.db2.gz FUMPNMLYFFAJSL-SWLSCSKDSA-N 0 3 374.510 2.284 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000503525929 561643849 /nfs/dbraw/zinc/64/38/49/561643849.db2.gz LOUMXGXFVLEQBV-RBUKOAKNSA-N 0 3 354.454 2.370 20 30 FEEDHN N#Cc1ccc(N2CC[C@H](N[C@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000298856666 553481626 /nfs/dbraw/zinc/48/16/26/553481626.db2.gz IWNDSRRGSXQPDD-ZWKOTPCHSA-N 0 3 354.454 2.077 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CCN1C ZINC000328605501 553795122 /nfs/dbraw/zinc/79/51/22/553795122.db2.gz JPGYRMRXXGXAFX-INMHGKMJSA-N 0 3 350.507 2.296 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CCN1Cc1ccccc1 ZINC000328661353 553804244 /nfs/dbraw/zinc/80/42/44/553804244.db2.gz AEAJSZJXZVFRMP-OWYHZJEWSA-N 0 3 359.470 2.053 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CCN1C ZINC000328728526 553813090 /nfs/dbraw/zinc/81/30/90/553813090.db2.gz GXQOZRCWGORLCY-DJIMGWMZSA-N 0 3 359.474 2.293 20 30 FEEDHN CN1CC[C@H](NC(=O)NC2CCN(C(=O)C3CC3)CC2)[C@H]1c1ccccc1 ZINC000328825824 553828573 /nfs/dbraw/zinc/82/85/73/553828573.db2.gz SBLJXADRDXTFNW-RBUKOAKNSA-N 0 3 370.497 2.336 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1 ZINC000328934121 553847759 /nfs/dbraw/zinc/84/77/59/553847759.db2.gz FCBAWWPTHKZLCQ-SUMDDJOVSA-N 0 3 359.470 2.243 20 30 FEEDHN COc1ccc2c(c1)OC[C@H](NC(=O)N1CC[C@H](N3CCCCC3)C1)C2 ZINC000329007302 553863082 /nfs/dbraw/zinc/86/30/82/553863082.db2.gz NHMIEQWOLDMBFH-SJORKVTESA-N 0 3 359.470 2.473 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329035644 553868586 /nfs/dbraw/zinc/86/85/86/553868586.db2.gz YNLQZTREMVKOKL-FCIKYMEBSA-N 0 3 359.474 2.054 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC1CCN(C2CC2)CC1 ZINC000329056614 553872955 /nfs/dbraw/zinc/87/29/55/553872955.db2.gz SRRAOBGBKAIYGZ-FGTMMUONSA-N 0 3 351.491 2.043 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000329105569 553881489 /nfs/dbraw/zinc/88/14/89/553881489.db2.gz ONABRUAHILTYDD-MUQADHOPSA-N 0 3 353.507 2.289 20 30 FEEDHN CN(C)[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)Cc1ccccc1 ZINC000329126329 553885257 /nfs/dbraw/zinc/88/52/57/553885257.db2.gz UFNAGAUQEFIGPQ-HBFSDRIKSA-N 0 3 361.486 2.001 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000329169759 553894550 /nfs/dbraw/zinc/89/45/50/553894550.db2.gz JHXGHZCEQUXGIN-TXTZMMAHSA-N 0 3 363.502 2.043 20 30 FEEDHN O=C(NC[C@@H]1CCCN1C1CCCCC1)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329237044 553908262 /nfs/dbraw/zinc/90/82/62/553908262.db2.gz OSUQQXZNPLTOQV-WBVHZDCISA-N 0 3 371.547 2.112 20 30 FEEDHN O=C(CNC(=O)c1ccc(F)cc1F)N1CC[C@@H](N2CCCCC2)C1 ZINC000329296899 553919564 /nfs/dbraw/zinc/91/95/64/553919564.db2.gz OXYRPZYTJDKWFV-CQSZACIVSA-N 0 3 351.397 2.356 20 30 FEEDHN CN(C)[C@]1(CNC(=O)N2CCCC[C@@H]2c2ccnn2C)CCSC1 ZINC000329332782 553927030 /nfs/dbraw/zinc/92/70/30/553927030.db2.gz NBBOKKREDDICOG-WBVHZDCISA-N 0 3 351.520 2.298 20 30 FEEDHN CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)C(C)C#N ZINC000506623497 561704102 /nfs/dbraw/zinc/70/41/02/561704102.db2.gz HFICJOXPLHFGNE-VIFPVBQESA-N 0 3 358.261 2.135 20 30 FEEDHN CN(C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@@H]1CN2CCC1CC2 ZINC000329426970 553944484 /nfs/dbraw/zinc/94/44/84/553944484.db2.gz GPWZDVQQAQDFRB-PKOBYXMFSA-N 0 3 370.497 2.497 20 30 FEEDHN N#CCCCOc1cccc(CN2CCC(C(=O)NCCCO)CC2)c1 ZINC000506881869 561710808 /nfs/dbraw/zinc/71/08/08/561710808.db2.gz RNDZSJIOOXWUIE-UHFFFAOYSA-N 0 3 359.470 2.080 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000329802819 554008667 /nfs/dbraw/zinc/00/86/67/554008667.db2.gz KRMCXWMJSZJVPN-LZQZEXGQSA-N 0 3 365.518 2.433 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCN1C ZINC000329818337 554011444 /nfs/dbraw/zinc/01/14/44/554011444.db2.gz XALCJMVJEUSQLF-YLJYHZDGSA-N 0 3 369.513 2.463 20 30 FEEDHN CN1CCO[C@@H](C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)C1 ZINC000329858651 554020176 /nfs/dbraw/zinc/02/01/76/554020176.db2.gz OEIISPCUCMAKIG-DOTOQJQBSA-N 0 3 360.458 2.352 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCn3ncnc3C2)CCN1Cc1ccccc1 ZINC000329952431 554037731 /nfs/dbraw/zinc/03/77/31/554037731.db2.gz IUOFZKOCZZECKX-WBVHZDCISA-N 0 3 354.458 2.061 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC)[C@H](c3ncc[nH]3)C2)CC1 ZINC000329952407 554038189 /nfs/dbraw/zinc/03/81/89/554038189.db2.gz ITWRUXQEHJUJJV-KRWDZBQOSA-N 0 3 360.506 2.043 20 30 FEEDHN Cc1nccn1C[C@H](C)C[NH+]=C([O-])N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000330000668 554047257 /nfs/dbraw/zinc/04/72/57/554047257.db2.gz WVSSACUNVVYPMJ-RDTXWAMCSA-N 0 3 350.463 2.012 20 30 FEEDHN C[C@@H]1CN(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)C[C@]2(CCOC2)O1 ZINC000330000251 554047366 /nfs/dbraw/zinc/04/73/66/554047366.db2.gz WCUNXVXVKKPHFL-LMNJBCLMSA-N 0 3 373.497 2.302 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC000330053837 554056191 /nfs/dbraw/zinc/05/61/91/554056191.db2.gz RAJODFRNWWFLQG-PVAVHDDUSA-N 0 3 355.442 2.380 20 30 FEEDHN CC(C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000330071972 554059122 /nfs/dbraw/zinc/05/91/22/554059122.db2.gz JIOGPMCDOAOLFR-ILXRZTDVSA-N 0 3 360.520 2.046 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)Nc1ccn(CC(F)F)n1 ZINC000330096903 554063886 /nfs/dbraw/zinc/06/38/86/554063886.db2.gz ACRBDQZGEVGIRG-UHFFFAOYSA-N 0 3 373.473 2.836 20 30 FEEDHN CN1CCC(n2ccc(NC(=O)N[C@H]3CCc4ccccc4C3)n2)CC1 ZINC000330210600 554085900 /nfs/dbraw/zinc/08/59/00/554085900.db2.gz ILKSXBUOGBIGJO-KRWDZBQOSA-N 0 3 353.470 3.033 20 30 FEEDHN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000330219983 554087708 /nfs/dbraw/zinc/08/77/08/554087708.db2.gz PWAXTLXQIPCVLU-ROUUACIJSA-N 0 3 353.507 2.006 20 30 FEEDHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1=O ZINC000330223268 554088042 /nfs/dbraw/zinc/08/80/42/554088042.db2.gz AERXTUXHIOOFGE-YSHGAJCASA-N 0 3 370.497 2.336 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1=O ZINC000330257987 554094664 /nfs/dbraw/zinc/09/46/64/554094664.db2.gz RAQQHQCXKZPNEU-MSOLQXFVSA-N 0 3 358.486 2.164 20 30 FEEDHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000330813971 554174875 /nfs/dbraw/zinc/17/48/75/554174875.db2.gz OBQIALHFHOQWOQ-BBWFWOEESA-N 0 3 352.523 2.257 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(C)CC2CCN(C)CC2)C1 ZINC000330904542 554186108 /nfs/dbraw/zinc/18/61/08/554186108.db2.gz MBYLFFQQCHWQTB-QGZVFWFLSA-N 0 3 352.523 2.069 20 30 FEEDHN C=CCn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000508707996 561770252 /nfs/dbraw/zinc/77/02/52/561770252.db2.gz ZFIHRIQZAUUKLA-KRWDZBQOSA-N 0 3 372.517 2.407 20 30 FEEDHN C=CCn1c(CC2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000509010897 561781152 /nfs/dbraw/zinc/78/11/52/561781152.db2.gz LMKFVVUOIUNYPQ-UHFFFAOYSA-N 0 3 359.518 2.498 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000331406322 554259119 /nfs/dbraw/zinc/25/91/19/554259119.db2.gz FJJRPFGNSZYPRB-QZTJIDSGSA-N 0 3 355.486 2.079 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@](C)(O)CC2)cc1 ZINC000332366052 554433151 /nfs/dbraw/zinc/43/31/51/554433151.db2.gz YKMDFGBHNZEPIB-DYVFJYSZSA-N 0 3 365.455 2.141 20 30 FEEDHN C=C[C@H](C)NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000332372370 554434239 /nfs/dbraw/zinc/43/42/39/554434239.db2.gz BNJDMQZWEZETTP-ZWKOTPCHSA-N 0 3 357.502 2.200 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCN1C ZINC000332534706 554465899 /nfs/dbraw/zinc/46/58/99/554465899.db2.gz IKNPAJUTWNSUAC-HUUCEWRRSA-N 0 3 359.449 2.012 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@@H](CN(C)Cc2ccccc2)C(C)C)C1=O ZINC000348577019 554689450 /nfs/dbraw/zinc/68/94/50/554689450.db2.gz LKGBJUOJTBQGLZ-ROUUACIJSA-N 0 3 359.470 2.266 20 30 FEEDHN CSC1c2cc(-c3noc([C@H](C)n4cnc(C#N)n4)n3)ccc2NC1=O ZINC000350110727 554760823 /nfs/dbraw/zinc/76/08/23/554760823.db2.gz LYPQKQSNOFUERP-ISVAXAHUSA-N 0 3 367.394 2.165 20 30 FEEDHN C=CCc1ccc(OCC(=O)Nc2cnc3c(c2)CNCC3)c(OC)c1 ZINC000362286460 554960788 /nfs/dbraw/zinc/96/07/88/554960788.db2.gz UAJGQNJZMSKGSY-UHFFFAOYSA-N 0 3 353.422 2.482 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(CCN(C)C)CC1 ZINC000362834727 554992231 /nfs/dbraw/zinc/99/22/31/554992231.db2.gz PHZXPKKZKIARHU-FQEVSTJZSA-N 0 3 372.513 2.058 20 30 FEEDHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)N(CCC#N)CCC#N ZINC000363135503 555038124 /nfs/dbraw/zinc/03/81/24/555038124.db2.gz VQOJRXCOFNWNDB-IBGZPJMESA-N 0 3 367.497 2.239 20 30 FEEDHN C[C@H]1CN(C2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)CCO1 ZINC000363271160 555068646 /nfs/dbraw/zinc/06/86/46/555068646.db2.gz JULZYCRWBLQPQX-SFHVURJKSA-N 0 3 370.497 2.118 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000363491624 555119511 /nfs/dbraw/zinc/11/95/11/555119511.db2.gz VUZJMGHGORLMPL-LJQANCHMSA-N 0 3 370.497 2.127 20 30 FEEDHN CC(C)(C#N)c1ccccc1CN1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000363759548 555180069 /nfs/dbraw/zinc/18/00/69/555180069.db2.gz NRNKLBOUIJBOJP-FQEVSTJZSA-N 0 3 354.454 2.298 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364009142 555232733 /nfs/dbraw/zinc/23/27/33/555232733.db2.gz ZUYTYDVQSKXNAM-RZQQEMMASA-N 0 3 357.454 2.073 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000364615724 555353915 /nfs/dbraw/zinc/35/39/15/555353915.db2.gz GOXLVBCBXZHXTB-QOKNQOGYSA-N 0 3 357.454 2.487 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364715259 555383773 /nfs/dbraw/zinc/38/37/73/555383773.db2.gz CXBVCBBDQSHVIE-QFBILLFUSA-N 0 3 368.481 2.040 20 30 FEEDHN CN(C(=O)C(=O)Nc1ccc(C#N)cc1)C1CCN(c2ccncc2)CC1 ZINC000364837764 555412178 /nfs/dbraw/zinc/41/21/78/555412178.db2.gz HQLUBUUGQRYYJS-UHFFFAOYSA-N 0 3 363.421 2.019 20 30 FEEDHN C[C@@H](CO)N1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000364898248 555430120 /nfs/dbraw/zinc/43/01/20/555430120.db2.gz VIAGRLXLXXTOCG-HNNXBMFYSA-N 0 3 356.388 2.325 20 30 FEEDHN C=CCN(C(=O)NCCOCCOC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364914299 555436365 /nfs/dbraw/zinc/43/63/65/555436365.db2.gz NHQGVCXBCZGHHT-LJQANCHMSA-N 0 3 361.486 2.122 20 30 FEEDHN COc1cc(CN(C)CCC(N)=O)ccc1OCc1cccc(C#N)c1 ZINC000513217159 561929955 /nfs/dbraw/zinc/92/99/55/561929955.db2.gz FCKWJXYKYQSYFR-UHFFFAOYSA-N 0 3 353.422 2.453 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCN3CCC[C@H](C)C3)C2)n1 ZINC000365751289 555659137 /nfs/dbraw/zinc/65/91/37/555659137.db2.gz JDYRDCGQVIXOKN-LPHOPBHVSA-N 0 3 369.513 2.326 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1=O ZINC000366821074 555943444 /nfs/dbraw/zinc/94/34/44/555943444.db2.gz QEXDFGRBDFWSJQ-IBGZPJMESA-N 0 3 370.497 2.079 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367014637 555997462 /nfs/dbraw/zinc/99/74/62/555997462.db2.gz GLGAHYCYCYNTDK-LJQANCHMSA-N 0 3 364.490 2.224 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC(=O)N(c3ccccc3OC)C2)CC1 ZINC000367359913 556027772 /nfs/dbraw/zinc/02/77/72/556027772.db2.gz CTLGMHWBUCIGFE-INIZCTEOSA-N 0 3 371.481 2.205 20 30 FEEDHN N#Cc1ccc(N2CC[C@H](C(=O)N3CC[C@@H](N4CCCC4)C3)C2)c(F)c1 ZINC000367651465 556105150 /nfs/dbraw/zinc/10/51/50/556105150.db2.gz SCEZGQRXHKVJIW-DLBZAZTESA-N 0 3 356.445 2.220 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000367668426 556109629 /nfs/dbraw/zinc/10/96/29/556109629.db2.gz AYIOKGPQLISALL-UHFFFAOYSA-N 0 3 358.461 2.187 20 30 FEEDHN C[C@H](NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000514875640 561984718 /nfs/dbraw/zinc/98/47/18/561984718.db2.gz KONKEJPAYYOQIY-XHSDSOJGSA-N 0 3 356.470 2.115 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2nccn21 ZINC000368692500 556386710 /nfs/dbraw/zinc/38/67/10/556386710.db2.gz NRYWHVXCPREEND-GOSISDBHSA-N 0 3 351.454 2.223 20 30 FEEDHN C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000368712194 556394929 /nfs/dbraw/zinc/39/49/29/556394929.db2.gz LAYWTGCQDYERGP-PXNSSMCTSA-N 0 3 366.509 2.074 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1Cl ZINC000368975635 556464778 /nfs/dbraw/zinc/46/47/78/556464778.db2.gz RSUSGORMQDKHGK-QEORTHHSSA-N 0 3 360.845 2.126 20 30 FEEDHN COc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1C#N ZINC000515834016 562023072 /nfs/dbraw/zinc/02/30/72/562023072.db2.gz KHOPARARQCJFNR-MRXNPFEDSA-N 0 3 357.366 2.005 20 30 FEEDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2CCC(=O)Nc2sccc2C#N)cn1 ZINC000369284439 556564577 /nfs/dbraw/zinc/56/45/77/556564577.db2.gz RDKDUYAZOHDDSV-HOTGVXAUSA-N 0 3 373.482 2.270 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000369592031 556640919 /nfs/dbraw/zinc/64/09/19/556640919.db2.gz ODFUTOCBWAKOJG-INIZCTEOSA-N 0 3 373.522 2.204 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000369591861 556641205 /nfs/dbraw/zinc/64/12/05/556641205.db2.gz NKDGERWUGMUDEP-OAHLLOKOSA-N 0 3 373.884 2.297 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 ZINC000369594478 556641847 /nfs/dbraw/zinc/64/18/47/556641847.db2.gz YOXRLLZRBNSKPI-SFHVURJKSA-N 0 3 367.493 2.260 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000369757317 556686705 /nfs/dbraw/zinc/68/67/05/556686705.db2.gz KXCSYUGCVGVPJS-SFHVURJKSA-N 0 3 373.884 2.297 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2n1CCCC2 ZINC000369775519 556691389 /nfs/dbraw/zinc/69/13/89/556691389.db2.gz XZKWJLZHMKYJIN-UHFFFAOYSA-N 0 3 351.454 2.295 20 30 FEEDHN C[C@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCN1C ZINC000369859238 556714248 /nfs/dbraw/zinc/71/42/48/556714248.db2.gz AFIUAKXDZKPIJW-MAUKXSAKSA-N 0 3 370.501 2.046 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@H]2CCCN2c2cccnn2)CC1 ZINC000369864567 556716111 /nfs/dbraw/zinc/71/61/11/556716111.db2.gz WAFZZPPZGHSUJB-GOSISDBHSA-N 0 3 372.517 2.127 20 30 FEEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370001281 556754398 /nfs/dbraw/zinc/75/43/98/556754398.db2.gz ZTONEQLVWJELIP-HIFRSBDPSA-N 0 3 368.416 2.583 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2noc(-c3cccc(F)c3)n2)CC1 ZINC000516628423 562051583 /nfs/dbraw/zinc/05/15/83/562051583.db2.gz PTVUFLQWFXKJKI-UHFFFAOYSA-N 0 3 359.405 2.325 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000370185309 556805207 /nfs/dbraw/zinc/80/52/07/556805207.db2.gz QPYRJKOUECLFNG-VQTJNVASSA-N 0 3 372.428 2.158 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC000370507461 556894203 /nfs/dbraw/zinc/89/42/03/556894203.db2.gz IETBTBNRYLYRER-FCEWJHQRSA-N 0 3 351.491 2.005 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000370831447 556983706 /nfs/dbraw/zinc/98/37/06/556983706.db2.gz VAUDSPTWYIRBFT-NVXWUHKLSA-N 0 3 364.449 2.445 20 30 FEEDHN N#CCOc1ccc(CC(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000371129336 557083004 /nfs/dbraw/zinc/08/30/04/557083004.db2.gz WLNFDXJZRIZUNJ-XVAYZXCPSA-N 0 3 361.445 2.378 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000518531087 562113719 /nfs/dbraw/zinc/11/37/19/562113719.db2.gz HNIJBWXLBWKQJF-UHFFFAOYSA-N 0 3 353.470 2.381 20 30 FEEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCC(=O)Nc3sc(C)c(C)c3C#N)[C@@H]2C1 ZINC000518828281 562119521 /nfs/dbraw/zinc/11/95/21/562119521.db2.gz FUVHKCNYTNRPMY-USXIJHARSA-N 0 3 374.510 2.412 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2COc3cc(OC)ccc3C2)CC1 ZINC000372450279 557473677 /nfs/dbraw/zinc/47/36/77/557473677.db2.gz SRLGKCWMXNEQDZ-QGZVFWFLSA-N 0 3 359.470 2.338 20 30 FEEDHN COc1cc(CNC(=O)NCC2(SC)CCN(C)CC2)ccc1C#N ZINC000519684549 562139769 /nfs/dbraw/zinc/13/97/69/562139769.db2.gz ADMMLLYFPGZRGB-UHFFFAOYSA-N 0 3 362.499 2.193 20 30 FEEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372901548 557585118 /nfs/dbraw/zinc/58/51/18/557585118.db2.gz GCVMCSDAZAALRY-ORAYPTAESA-N 0 3 374.872 2.483 20 30 FEEDHN COc1cc(/C=C/C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)ccc1OCC#N ZINC000372983806 557603284 /nfs/dbraw/zinc/60/32/84/557603284.db2.gz VIIDAJNOXHERCZ-UPXOEVQQSA-N 0 3 355.438 2.163 20 30 FEEDHN CCOC(=O)C1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000373407300 557688505 /nfs/dbraw/zinc/68/85/05/557688505.db2.gz UDJQXRCVHHPMKD-QGZVFWFLSA-N 0 3 353.422 2.432 20 30 FEEDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc(C#N)c(OC)c4)C[C@H]3C2)no1 ZINC000374204216 557843106 /nfs/dbraw/zinc/84/31/06/557843106.db2.gz IEPNRGFNRUSKBZ-CALCHBBNSA-N 0 3 367.453 2.076 20 30 FEEDHN CCCCCCCS(=O)(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000374236271 557848089 /nfs/dbraw/zinc/84/80/89/557848089.db2.gz ADFPXSRNYBWCRL-GOSISDBHSA-N 0 3 359.580 2.387 20 30 FEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H](N2CCCCCC2)C1 ZINC000374455606 557886217 /nfs/dbraw/zinc/88/62/17/557886217.db2.gz BLTDQXMKRPCBQC-IRXDYDNUSA-N 0 3 356.536 2.053 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2nc(N(C)C)no2)CC1 ZINC000374700145 557918641 /nfs/dbraw/zinc/91/86/41/557918641.db2.gz CDPRNJIOCLICHV-HNNXBMFYSA-N 0 3 362.478 2.023 20 30 FEEDHN Cc1noc(C2(C)CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000374748884 557925001 /nfs/dbraw/zinc/92/50/01/557925001.db2.gz ITAGXDPUMXYWIA-INIZCTEOSA-N 0 3 356.426 2.043 20 30 FEEDHN CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(CCCSCC#N)C1 ZINC000374776529 557929833 /nfs/dbraw/zinc/92/98/33/557929833.db2.gz FUWAYYYEYYYCGL-ZDUSSCGKSA-N 0 3 350.492 2.377 20 30 FEEDHN CN1CCN(CC2(C)CCN(c3nc4ccccn4c3C#N)CC2)CC1 ZINC000374932284 557953118 /nfs/dbraw/zinc/95/31/18/557953118.db2.gz QCGCRXCLLFNVIK-UHFFFAOYSA-N 0 3 352.486 2.060 20 30 FEEDHN N#Cc1ccc(C2(C(=O)N3CCCN(C4CCOCC4)CC3)CC2)cc1 ZINC000375256675 557999751 /nfs/dbraw/zinc/99/97/51/557999751.db2.gz UPUJWCWKIJKUIS-UHFFFAOYSA-N 0 3 353.466 2.303 20 30 FEEDHN CN1C(=O)C[C@H](NC[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000375429882 558025811 /nfs/dbraw/zinc/02/58/11/558025811.db2.gz TURZHSYSGGVCCZ-BJLQDIEVSA-N 0 3 353.397 2.292 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)cc1 ZINC000375521240 558042238 /nfs/dbraw/zinc/04/22/38/558042238.db2.gz PMSJFUNOPJSCJE-WMZOPIPTSA-N 0 3 358.401 2.483 20 30 FEEDHN Cc1cc(N2CCC(NC(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)ncn1 ZINC000375669119 558064863 /nfs/dbraw/zinc/06/48/63/558064863.db2.gz NZZQJLCWNCATQK-SFHVURJKSA-N 0 3 374.448 2.124 20 30 FEEDHN CN1CCC[C@@H](N2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)C1 ZINC000375757647 558077929 /nfs/dbraw/zinc/07/79/29/558077929.db2.gz MCJRQVMFKGMJFO-LJQANCHMSA-N 0 3 372.488 2.213 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000375918687 558099706 /nfs/dbraw/zinc/09/97/06/558099706.db2.gz WZMWGBGKSPYRKL-HXUWFJFHSA-N 0 3 373.460 2.416 20 30 FEEDHN C=CCOCCNC(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000376070613 558122867 /nfs/dbraw/zinc/12/28/67/558122867.db2.gz USQXXSPWUXKGBZ-FUHWJXTLSA-N 0 3 363.506 2.037 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]21 ZINC000376075046 558123343 /nfs/dbraw/zinc/12/33/43/558123343.db2.gz KYDTYTDXLGFHDJ-UZLBHIALSA-N 0 3 370.472 2.466 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1=O ZINC000376128296 558130540 /nfs/dbraw/zinc/13/05/40/558130540.db2.gz DWODPJOXUOCEDB-WDSOQIARSA-N 0 3 370.497 2.078 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000376335032 558159438 /nfs/dbraw/zinc/15/94/38/558159438.db2.gz QYMXHWQXEUOMIP-SFHVURJKSA-N 0 3 370.497 2.331 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOCC[C@H]2C)cc1 ZINC000376582724 558193924 /nfs/dbraw/zinc/19/39/24/558193924.db2.gz CRQWIFKSAZOFMJ-OLZOCXBDSA-N 0 3 351.428 2.015 20 30 FEEDHN COc1cc(CNC[C@H]2C[C@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000376609330 558197092 /nfs/dbraw/zinc/19/70/92/558197092.db2.gz IVHVGBLGHGYQJY-UXHICEINSA-N 0 3 351.450 2.292 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000376704669 558211217 /nfs/dbraw/zinc/21/12/17/558211217.db2.gz KXUWRNPFYARDHM-OAHLLOKOSA-N 0 3 359.474 2.486 20 30 FEEDHN CN1CC=C(CNC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)CC1 ZINC000376932979 558241171 /nfs/dbraw/zinc/24/11/71/558241171.db2.gz OKXJWLXXFYUETH-UHFFFAOYSA-N 0 3 374.435 2.431 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000522086664 562191158 /nfs/dbraw/zinc/19/11/58/562191158.db2.gz MHWKJNATBGASKZ-UHFFFAOYSA-N 0 3 359.474 2.106 20 30 FEEDHN CCN1C(=O)N=NC1C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000377582404 558370971 /nfs/dbraw/zinc/37/09/71/558370971.db2.gz OEUNUPXBXKONCQ-UHFFFAOYSA-N 0 3 374.470 2.145 20 30 FEEDHN Cc1cn2c(n1)CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822956 558426910 /nfs/dbraw/zinc/42/69/10/558426910.db2.gz DVPVNQKWFGEJEI-SJORKVTESA-N 0 3 351.454 2.431 20 30 FEEDHN C[C@@H](C(=O)Nc1ccc(OCCN2CCCCC2)cc1)n1cnc(C#N)n1 ZINC000409843309 558722837 /nfs/dbraw/zinc/72/28/37/558722837.db2.gz HHVIMWUTJHGYHD-HNNXBMFYSA-N 0 3 368.441 2.214 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000410125645 558740321 /nfs/dbraw/zinc/74/03/21/558740321.db2.gz ZDWRZEDHNUHTFL-INIZCTEOSA-N 0 3 364.515 2.282 20 30 FEEDHN N#Cc1ccc(OCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000525262197 562244232 /nfs/dbraw/zinc/24/42/32/562244232.db2.gz YSHZGQNUCCYLOM-IBGZPJMESA-N 0 3 364.449 2.360 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000411634777 558932839 /nfs/dbraw/zinc/93/28/39/558932839.db2.gz AUWDWDINNALJLA-UHFFFAOYSA-N 0 3 370.501 2.467 20 30 FEEDHN CCCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(N)=O ZINC000411754683 558957013 /nfs/dbraw/zinc/95/70/13/558957013.db2.gz FMZQWSQSKAQRBZ-GFCCVEGCSA-N 0 3 362.499 2.270 20 30 FEEDHN C=C(C)Cn1c(SCC(=O)NC[C@H](C)N(C)C)nnc1-c1ccco1 ZINC000412387588 559032587 /nfs/dbraw/zinc/03/25/87/559032587.db2.gz CCFKKCIFUFFWAP-ZDUSSCGKSA-N 0 3 363.487 2.273 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000412670629 559049568 /nfs/dbraw/zinc/04/95/68/559049568.db2.gz IYPGGIBAQVNSLU-UYAOXDASSA-N 0 3 364.449 2.220 20 30 FEEDHN Cc1cc(N2CCC(CN3CCN(C)CC3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413067044 559074512 /nfs/dbraw/zinc/07/45/12/559074512.db2.gz DMJRFWXLFCMRLU-UHFFFAOYSA-N 0 3 357.458 2.239 20 30 FEEDHN C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000413180809 559086095 /nfs/dbraw/zinc/08/60/95/559086095.db2.gz PQRKIPKFSNAFAF-MRXNPFEDSA-N 0 3 353.470 2.376 20 30 FEEDHN N#Cc1nc(NCC2(O)CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000413577788 559118008 /nfs/dbraw/zinc/11/80/08/559118008.db2.gz JUAKWTDVPAUMQE-UHFFFAOYSA-N 0 3 356.857 3.046 20 30 FEEDHN C=CC(C)(C)CNC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413584339 559118570 /nfs/dbraw/zinc/11/85/70/559118570.db2.gz DNFRFSZIMIQCRQ-UHFFFAOYSA-N 0 3 372.513 2.395 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCN2)C(C)C ZINC000414694519 559180340 /nfs/dbraw/zinc/18/03/40/559180340.db2.gz OALYKDVZONBHAB-LJQANCHMSA-N 0 3 370.497 2.408 20 30 FEEDHN N#CCC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1 ZINC000414988864 559199150 /nfs/dbraw/zinc/19/91/50/559199150.db2.gz MLFDXQDWCRDNCN-IBGZPJMESA-N 0 3 362.433 2.432 20 30 FEEDHN C[C@H](C#N)CN(C(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C1CC1 ZINC000415151676 559209550 /nfs/dbraw/zinc/20/95/50/559209550.db2.gz AQUCIPPHTZNNNC-SNVBAGLBSA-N 0 3 368.359 2.253 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000527161090 562278512 /nfs/dbraw/zinc/27/85/12/562278512.db2.gz LFCALLTVLHWGQQ-MSOLQXFVSA-N 0 3 374.448 2.184 20 30 FEEDHN C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CNCCO1 ZINC000415808053 559273331 /nfs/dbraw/zinc/27/33/31/559273331.db2.gz RRWATWDEDLBEND-GFCCVEGCSA-N 0 3 370.247 2.124 20 30 FEEDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000416661263 559328415 /nfs/dbraw/zinc/32/84/15/559328415.db2.gz MCZCKQQMAATANM-UHFFFAOYSA-N 0 3 353.463 2.333 20 30 FEEDHN C=CCN(C(=O)N[C@H]1CCN(CC)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000416735085 559330574 /nfs/dbraw/zinc/33/05/74/559330574.db2.gz PVNCRHABAGULOA-WBVHZDCISA-N 0 3 369.473 2.015 20 30 FEEDHN N#C[C@@H]1CN(C(=O)NC[C@H](N)c2ccccc2)CCN1Cc1ccccc1 ZINC000418456543 559402354 /nfs/dbraw/zinc/40/23/54/559402354.db2.gz TVKXRVFIWRKAJC-UXHICEINSA-N 0 3 363.465 2.106 20 30 FEEDHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419645329 559451475 /nfs/dbraw/zinc/45/14/75/559451475.db2.gz PKRFCRUPMXRDGW-FQEVSTJZSA-N 0 3 369.513 2.215 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN)c1ccc(F)c(F)c1 ZINC000419684475 559453988 /nfs/dbraw/zinc/45/39/88/559453988.db2.gz WJZHTDRFJRATCI-ZLIFDBKOSA-N 0 3 365.424 2.284 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)c1ccc(F)c(F)c1 ZINC000419684464 559454044 /nfs/dbraw/zinc/45/40/44/559454044.db2.gz WJZHTDRFJRATCI-DQYPLSBCSA-N 0 3 365.424 2.284 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c(C#N)cn1CC ZINC000421172330 559528680 /nfs/dbraw/zinc/52/86/80/559528680.db2.gz JLXUSLXHMJUASV-ZFWWWQNUSA-N 0 3 373.457 2.114 20 30 FEEDHN CCOC(=O)C1CCN(C(=O)C[C@H](C)NCc2ccc(C#N)s2)CC1 ZINC000421347609 559539854 /nfs/dbraw/zinc/53/98/54/559539854.db2.gz CTJAMOUVRQLEHB-ZDUSSCGKSA-N 0 3 363.483 2.290 20 30 FEEDHN CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000421710879 559550452 /nfs/dbraw/zinc/55/04/52/559550452.db2.gz MTSPDYXYEPPZRP-HOCLYGCPSA-N 0 3 374.872 2.117 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000422533430 559593438 /nfs/dbraw/zinc/59/34/38/559593438.db2.gz XHHCEIGMUZFZAF-UHOSZYNNSA-N 0 3 357.498 2.089 20 30 FEEDHN COC(=O)c1ccc(NC(=O)[C@H](N)CCCC#N)c(OCC(F)(F)F)c1 ZINC000424112369 559655176 /nfs/dbraw/zinc/65/51/76/559655176.db2.gz JJZSIECRCGNGJH-LLVKDONJSA-N 0 3 373.331 2.374 20 30 FEEDHN CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424129552 559655705 /nfs/dbraw/zinc/65/57/05/559655705.db2.gz SDSPQQBCXODLAR-OAHLLOKOSA-N 0 3 352.460 2.188 20 30 FEEDHN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424153178 559656201 /nfs/dbraw/zinc/65/62/01/559656201.db2.gz JREPQZVMFNJLAH-DYVFJYSZSA-N 0 3 350.413 2.191 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000424933117 559680324 /nfs/dbraw/zinc/68/03/24/559680324.db2.gz PMPRVMGXQNTCRD-PMACEKPBSA-N 0 3 358.482 2.212 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H](c2ccccc2)N(CC)CC)nn1 ZINC000425400670 559700193 /nfs/dbraw/zinc/70/01/93/559700193.db2.gz CXDXBNYHYRUWMP-SFHVURJKSA-N 0 3 356.474 2.346 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)nn1 ZINC000425423104 559701328 /nfs/dbraw/zinc/70/13/28/559701328.db2.gz YQWVGSUNJCUKOP-NVXWUHKLSA-N 0 3 354.458 2.099 20 30 FEEDHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC000527330165 562285627 /nfs/dbraw/zinc/28/56/27/562285627.db2.gz JYPHDWXQJJXRPW-UHFFFAOYSA-N 0 3 368.359 2.116 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)C(C)C ZINC000426026666 559727944 /nfs/dbraw/zinc/72/79/44/559727944.db2.gz BPTQTLKFYURONX-KZNAEPCWSA-N 0 3 362.518 2.138 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527335319 562285710 /nfs/dbraw/zinc/28/57/10/562285710.db2.gz XWZNJIDWBRJTLA-CGZBRXJRSA-N 0 3 357.458 2.037 20 30 FEEDHN C=CC[C@H](C)[C@@H](C)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428411765 559775114 /nfs/dbraw/zinc/77/51/14/559775114.db2.gz FWZMKKCBJJTZDD-UONOGXRCSA-N 0 3 366.483 2.021 20 30 FEEDHN N#CC1(CCCN2CCC3(CC2)CCS(=O)(=O)CC3)CCOCC1 ZINC000428682428 559781028 /nfs/dbraw/zinc/78/10/28/559781028.db2.gz BTOCVLCJRLLLMH-UHFFFAOYSA-N 0 3 354.516 2.378 20 30 FEEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430738277 559827404 /nfs/dbraw/zinc/82/74/04/559827404.db2.gz AMYZKEKRBKQFKJ-HNNXBMFYSA-N 0 3 363.483 2.052 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000431966713 559849544 /nfs/dbraw/zinc/84/95/44/559849544.db2.gz WSJPBRBFGJCCMW-SLYNCCJLSA-N 0 3 371.481 2.317 20 30 FEEDHN COc1ccc(CNC(=O)CNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433302987 559876484 /nfs/dbraw/zinc/87/64/84/559876484.db2.gz ZJSCOKQDITYRTH-SFHVURJKSA-N 0 3 365.433 2.200 20 30 FEEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC1 ZINC000433356270 559878247 /nfs/dbraw/zinc/87/82/47/559878247.db2.gz SRXPSRUBKHXRMR-UHFFFAOYSA-N 0 3 372.288 2.083 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000433357181 559878294 /nfs/dbraw/zinc/87/82/94/559878294.db2.gz WPWCAVBWCYBBEN-SJORKVTESA-N 0 3 357.479 2.187 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000433362024 559878672 /nfs/dbraw/zinc/87/86/72/559878672.db2.gz ONWWMLJDHILFHR-KBPBESRZSA-N 0 3 353.344 2.038 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000433606009 559884864 /nfs/dbraw/zinc/88/48/64/559884864.db2.gz FHEWKXKHSWMRRB-ZFWWWQNUSA-N 0 3 363.424 2.372 20 30 FEEDHN CC[C@@H](CNC(=O)N=c1ccn(CCC#N)[nH]1)N1CCc2ccccc2C1 ZINC000438334629 559977557 /nfs/dbraw/zinc/97/75/57/559977557.db2.gz YVGDDYKGWLKWTA-SFHVURJKSA-N 0 3 366.469 2.755 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000441716523 560038222 /nfs/dbraw/zinc/03/82/22/560038222.db2.gz ODCLPTKALARGCF-ACJLOTCBSA-N 0 3 368.412 2.443 20 30 FEEDHN CCCN(CC)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443471875 560084597 /nfs/dbraw/zinc/08/45/97/560084597.db2.gz GAXNZZRQVKVIPN-UHFFFAOYSA-N 0 3 374.304 2.331 20 30 FEEDHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000447424672 560162017 /nfs/dbraw/zinc/16/20/17/560162017.db2.gz XPYLABWSFNXMKN-UHFFFAOYSA-N 0 3 362.861 2.388 20 30 FEEDHN COc1ccc(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nc1 ZINC000447481020 560162931 /nfs/dbraw/zinc/16/29/31/560162931.db2.gz IFEMOGDEJQORRM-UHFFFAOYSA-N 0 3 352.438 2.095 20 30 FEEDHN CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448601505 560192149 /nfs/dbraw/zinc/19/21/49/560192149.db2.gz UQXXBXYDHNJMMQ-AWEZNQCLSA-N 0 3 374.872 2.165 20 30 FEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000448739084 560197288 /nfs/dbraw/zinc/19/72/88/560197288.db2.gz SHOOGDGUORNWNR-NQIIRXRSSA-N 0 3 354.498 2.250 20 30 FEEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)n1C ZINC000448951015 560208536 /nfs/dbraw/zinc/20/85/36/560208536.db2.gz OLNWIFXRNPFIGL-SFHVURJKSA-N 0 3 351.454 2.418 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000449518395 560232548 /nfs/dbraw/zinc/23/25/48/560232548.db2.gz JJPPTFDQJYORRF-SJORKVTESA-N 0 3 360.454 2.130 20 30 FEEDHN CN(C)C[C@H]1CCCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449830211 560241736 /nfs/dbraw/zinc/24/17/36/560241736.db2.gz WTKCZCWAKDVTJX-CYBMUJFWSA-N 0 3 366.259 2.252 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)CCN1C ZINC000449938647 560245845 /nfs/dbraw/zinc/24/58/45/560245845.db2.gz GLZJPYAZUYYHLT-VXGBXAGGSA-N 0 3 366.259 2.298 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3cc(C#N)cc(C)n3)C2)CC1 ZINC000450770175 560272677 /nfs/dbraw/zinc/27/26/77/560272677.db2.gz IGBABKUFMHJJDW-GOSISDBHSA-N 0 3 355.486 2.032 20 30 FEEDHN CN(C)C1(CNC(=O)COc2cccc(Br)c2C#N)CCC1 ZINC000450997682 560281731 /nfs/dbraw/zinc/28/17/31/560281731.db2.gz GPEXHZVSSMOLTF-UHFFFAOYSA-N 0 3 366.259 2.300 20 30 FEEDHN CN(C)C1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCC1 ZINC000450997516 560281724 /nfs/dbraw/zinc/28/17/24/560281724.db2.gz GDFGPIVPJMCFIZ-UHFFFAOYSA-N 0 3 366.259 2.300 20 30 FEEDHN Cn1c(C#N)ccc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000451544781 560313637 /nfs/dbraw/zinc/31/36/37/560313637.db2.gz FSVSCMAIOTYQIU-UHFFFAOYSA-N 0 3 352.438 2.300 20 30 FEEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCN(CCC(F)(F)F)CC1 ZINC000452107628 560351810 /nfs/dbraw/zinc/35/18/10/560351810.db2.gz BUSUUZFBEZCFGK-INIZCTEOSA-N 0 3 360.424 2.143 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1 ZINC000453616899 560391508 /nfs/dbraw/zinc/39/15/08/560391508.db2.gz HLRGLCKFGFXEAT-CQSZACIVSA-N 0 3 356.470 2.432 20 30 FEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453709974 560398706 /nfs/dbraw/zinc/39/87/06/560398706.db2.gz MTCGAFIUDKWLOH-CQSZACIVSA-N 0 3 362.861 2.145 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000454572688 560449992 /nfs/dbraw/zinc/44/99/92/560449992.db2.gz GIQNXHDCDMCHEQ-INIZCTEOSA-N 0 3 360.458 2.314 20 30 FEEDHN CN(C)CC(C)(C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000455107890 560470481 /nfs/dbraw/zinc/47/04/81/560470481.db2.gz OEDAPKAIKUEYAU-UHFFFAOYSA-N 0 3 360.849 2.859 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1 ZINC000456426588 560520256 /nfs/dbraw/zinc/52/02/56/560520256.db2.gz YSOVDRIWNRFDET-JXFKEZNVSA-N 0 3 374.444 2.104 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000458331019 560615290 /nfs/dbraw/zinc/61/52/90/560615290.db2.gz HKJGYTPCNVKMCS-AZUAARDMSA-N 0 3 361.461 2.146 20 30 FEEDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000459585178 560696089 /nfs/dbraw/zinc/69/60/89/560696089.db2.gz OUGWQIQOQJXVAU-UZLBHIALSA-N 0 3 360.454 2.352 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000459873362 560715591 /nfs/dbraw/zinc/71/55/91/560715591.db2.gz WVTLNQDTRRHIFW-INIZCTEOSA-N 0 3 361.511 2.350 20 30 FEEDHN CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460241145 560739032 /nfs/dbraw/zinc/73/90/32/560739032.db2.gz VPXDETIKBGNVLQ-QGZVFWFLSA-N 0 3 366.469 2.422 20 30 FEEDHN N#C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000461954024 560789543 /nfs/dbraw/zinc/78/95/43/560789543.db2.gz FKLNRRPYHVSYAA-MJGOQNOKSA-N 0 3 356.470 2.135 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000461960235 560789771 /nfs/dbraw/zinc/78/97/71/560789771.db2.gz SXSKLKJVDDREBZ-HKUYNNGSSA-N 0 3 374.485 2.135 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000461962767 560789923 /nfs/dbraw/zinc/78/99/23/560789923.db2.gz GZCVCUOPCKTHSC-XLIONFOSSA-N 0 3 369.513 2.316 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462094488 560796790 /nfs/dbraw/zinc/79/67/90/560796790.db2.gz BHQHAZFAEHKENB-AWEZNQCLSA-N 0 3 367.457 2.333 20 30 FEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000462139726 560798869 /nfs/dbraw/zinc/79/88/69/560798869.db2.gz ZCJVCXZOAJLKEF-HOTGVXAUSA-N 0 3 356.470 2.451 20 30 FEEDHN N#Cc1ccc(CNCCCNS(=O)(=O)c2ccccc2Cl)o1 ZINC000466381963 560885516 /nfs/dbraw/zinc/88/55/16/560885516.db2.gz JSRSMSWJEZLWSR-UHFFFAOYSA-N 0 3 353.831 2.263 20 30 FEEDHN C=C[C@](C)(O)CC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000469515364 560956792 /nfs/dbraw/zinc/95/67/92/560956792.db2.gz LZBIBERUJJWABZ-NRFANRHFSA-N 0 3 359.514 2.341 20 30 FEEDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C ZINC000469998852 560971432 /nfs/dbraw/zinc/97/14/32/560971432.db2.gz HVHJGAIMBUUTPC-VXGBXAGGSA-N 0 3 361.467 2.320 20 30 FEEDHN CS(=O)(=O)c1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000471158217 560999381 /nfs/dbraw/zinc/99/93/81/560999381.db2.gz VVTMLQGINXFBIK-CQSZACIVSA-N 0 3 373.459 2.022 20 30 FEEDHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000473506725 561051465 /nfs/dbraw/zinc/05/14/65/561051465.db2.gz NOXOYDFCBBZBOG-RTBURBONSA-N 0 3 369.513 2.421 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000476041409 561110075 /nfs/dbraw/zinc/11/00/75/561110075.db2.gz MXFXHBRXLAEYIT-UYAOXDASSA-N 0 3 356.514 2.464 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000528399552 562326874 /nfs/dbraw/zinc/32/68/74/562326874.db2.gz WQVNURGYUATFEN-QUCCMNQESA-N 0 3 374.481 2.348 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000528427471 562328816 /nfs/dbraw/zinc/32/88/16/562328816.db2.gz ZEUNUTBHPKYYHF-FUHWJXTLSA-N 0 3 367.453 2.104 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000528438817 562329363 /nfs/dbraw/zinc/32/93/63/562329363.db2.gz NFFYUHXHLIQMKY-QUCCMNQESA-N 0 3 356.397 2.031 20 30 FEEDHN N#CC(C(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21)C(=O)N1CCCC1 ZINC000528915735 562352771 /nfs/dbraw/zinc/35/27/71/562352771.db2.gz OZMRGBLAJKKMIC-WDEREUQCSA-N 0 3 354.332 2.111 20 30 FEEDHN CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000529426954 562373533 /nfs/dbraw/zinc/37/35/33/562373533.db2.gz JFROEWFZZPBIFL-KURKYZTESA-N 0 3 359.470 2.031 20 30 FEEDHN CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000529426954 562373534 /nfs/dbraw/zinc/37/35/34/562373534.db2.gz JFROEWFZZPBIFL-KURKYZTESA-N 0 3 359.470 2.031 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@H]2COCCN2)cc1OC ZINC000530180512 562401522 /nfs/dbraw/zinc/40/15/22/562401522.db2.gz BNASGQIGFDAAMF-ZDUSSCGKSA-N 0 3 371.275 2.101 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000530233034 562403339 /nfs/dbraw/zinc/40/33/39/562403339.db2.gz OBGHMTSLQAWAMZ-MJGOQNOKSA-N 0 3 355.413 2.306 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)nc1 ZINC000530241626 562403885 /nfs/dbraw/zinc/40/38/85/562403885.db2.gz GFCYCSVMKPFNFM-FHLIZLRMSA-N 0 3 373.865 2.308 20 30 FEEDHN N#Cc1cccc(NC(=O)C2CCN(CCCN3CCCC3=O)CC2)c1 ZINC000532669979 562485192 /nfs/dbraw/zinc/48/51/92/562485192.db2.gz QDIYFCYQVNVQHP-UHFFFAOYSA-N 0 3 354.454 2.221 20 30 FEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3ccnn3)cc2)n1 ZINC000534839365 562543514 /nfs/dbraw/zinc/54/35/14/562543514.db2.gz IFJQFLADIDPVJR-ZDUSSCGKSA-N 0 3 367.390 2.391 20 30 FEEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000540686562 562591313 /nfs/dbraw/zinc/59/13/13/562591313.db2.gz PVYVSXVXMOYYGC-WMZOPIPTSA-N 0 3 351.468 2.077 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCS[C@H](C)CC1)C(C)C ZINC000556209905 674392219 /nfs/dbraw/zinc/39/22/19/674392219.db2.gz ZOFVLSKYPXLDIT-SJORKVTESA-N 0 3 367.559 2.155 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000602520547 567987235 /nfs/dbraw/zinc/98/72/35/567987235.db2.gz HUIITYSWIULCIJ-QGZVFWFLSA-N 0 3 371.481 2.348 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000602552441 567990843 /nfs/dbraw/zinc/99/08/43/567990843.db2.gz WVUWICAXVXXEOO-QZTJIDSGSA-N 0 3 371.481 2.355 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000602532548 567991952 /nfs/dbraw/zinc/99/19/52/567991952.db2.gz VNWZDPZYTPKRGR-SFHVURJKSA-N 0 3 370.497 2.024 20 30 FEEDHN CN(C(=O)Cn1cc(CNC2CCCCC2)nn1)C1(C#N)CCCCC1 ZINC000603178691 568068353 /nfs/dbraw/zinc/06/83/53/568068353.db2.gz IWGMNECGCOQHKE-UHFFFAOYSA-N 0 3 358.490 2.385 20 30 FEEDHN Cc1ccccc1CN1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000603603221 568124985 /nfs/dbraw/zinc/12/49/85/568124985.db2.gz WFHHPVMOPWLNEM-OAQYLSRUSA-N 0 3 354.498 2.311 20 30 FEEDHN C[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)N1CCC(C)CC1 ZINC000569060578 568295567 /nfs/dbraw/zinc/29/55/67/568295567.db2.gz OAKKSPMVTRECGR-AEFFLSMTSA-N 0 3 371.485 2.236 20 30 FEEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@]3(C#N)CCSC3)cc2)CC1 ZINC000604536789 568308968 /nfs/dbraw/zinc/30/89/68/568308968.db2.gz AILLPBXDFGARBK-LJQANCHMSA-N 0 3 358.511 2.346 20 30 FEEDHN CC[NH+](CC)CC#C[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821182536 607322597 /nfs/dbraw/zinc/32/25/97/607322597.db2.gz WCOJQSQLVXPAGS-WIDZWVOGSA-N 0 3 353.426 2.157 20 30 FEEDHN CC(C)N1CCN(C2CC[NH+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)CC1 ZINC000833499884 604938928 /nfs/dbraw/zinc/93/89/28/604938928.db2.gz RTQLQUJCXYXAFU-HXUWFJFHSA-N 0 3 370.497 2.174 20 30 FEEDHN C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000819723110 606351988 /nfs/dbraw/zinc/35/19/88/606351988.db2.gz ZEKWGZRWHWLALE-UHFFFAOYSA-N 0 3 359.409 2.168 20 30 FEEDHN C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000819723110 606351990 /nfs/dbraw/zinc/35/19/90/606351990.db2.gz ZEKWGZRWHWLALE-UHFFFAOYSA-N 0 3 359.409 2.168 20 30 FEEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000560634517 674605604 /nfs/dbraw/zinc/60/56/04/674605604.db2.gz HHKHPPLWHVECDE-KBPBESRZSA-N 0 3 358.360 2.017 20 30 FEEDHN C#CCNC(=O)CCN(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000815099891 674917932 /nfs/dbraw/zinc/91/79/32/674917932.db2.gz OCEPRFNCFQKKJQ-AWEZNQCLSA-N 0 3 351.244 2.344 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1cscc1Br ZINC000815905016 674983428 /nfs/dbraw/zinc/98/34/28/674983428.db2.gz WUXPHBFKQLIDOA-LLVKDONJSA-N 0 3 373.272 2.305 20 30 FEEDHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)CCC(C)(C)C#N)C1 ZINC000569532176 670574090 /nfs/dbraw/zinc/57/40/90/670574090.db2.gz RGHWVKLYDSLXQL-QGZVFWFLSA-N 0 3 364.515 2.105 20 30 FEEDHN N#Cc1c(Br)cccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000565541008 675131002 /nfs/dbraw/zinc/13/10/02/675131002.db2.gz KDESDQBKCYAYFX-ZDUSSCGKSA-N 0 3 350.260 2.479 20 30 FEEDHN CN(C)[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000571073763 670812031 /nfs/dbraw/zinc/81/20/31/670812031.db2.gz AYGWFMGADBQQOR-LJQANCHMSA-N 0 3 363.527 2.432 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000113651606 670886802 /nfs/dbraw/zinc/88/68/02/670886802.db2.gz AOUCMWJYODVQRC-AAEUAGOBSA-N 0 3 370.808 2.498 20 30 FEEDHN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)CN(C)CCCC)c1 ZINC000571916574 670940740 /nfs/dbraw/zinc/94/07/40/670940740.db2.gz HBWSNKIKOPXTCE-HNNXBMFYSA-N 0 3 367.515 2.001 20 30 FEEDHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000817714171 675164245 /nfs/dbraw/zinc/16/42/45/675164245.db2.gz MDEVYJFLEQMIOU-QWRGUYRKSA-N 0 3 367.427 2.084 20 30 FEEDHN N#Cc1cnn2cc(CN[C@@H]3CCN(c4ncccc4Cl)C3)cnc12 ZINC000572842673 671051402 /nfs/dbraw/zinc/05/14/02/671051402.db2.gz RMUPKRHPHSMZAR-CQSZACIVSA-N 0 3 353.817 2.018 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000125174728 672008234 /nfs/dbraw/zinc/00/82/34/672008234.db2.gz ALOSVPRKLHOFAC-OLZOCXBDSA-N 0 3 352.818 2.277 20 30 FEEDHN N#CC1(CS(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000584689344 672205881 /nfs/dbraw/zinc/20/58/81/672205881.db2.gz JDPQNJTVGCDCGV-QZTJIDSGSA-N 0 3 359.495 2.074 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000611217546 676026132 /nfs/dbraw/zinc/02/61/32/676026132.db2.gz KWOSBLDVNCKCPC-RCCFBDPRSA-N 0 3 358.511 2.031 20 30 FEEDHN C[S@](=O)c1ccc(CNC[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000591750279 672708114 /nfs/dbraw/zinc/70/81/14/672708114.db2.gz YKKYNOREBJCVLS-GKVSMKOHSA-N 0 3 358.463 2.020 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000193420964 672723855 /nfs/dbraw/zinc/72/38/55/672723855.db2.gz NTJVPBGABYWPCK-CQSZACIVSA-N 0 3 352.818 2.279 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000245545250 672820530 /nfs/dbraw/zinc/82/05/30/672820530.db2.gz SZUUXCQXECHQKD-RDJZCZTQSA-N 0 3 365.499 2.271 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000612484508 676084230 /nfs/dbraw/zinc/08/42/30/676084230.db2.gz BNUUHVLGSKZEMW-MRXNPFEDSA-N 0 3 363.527 2.499 20 30 FEEDHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594435947 673071868 /nfs/dbraw/zinc/07/18/68/673071868.db2.gz BJCRYVXZFLLNLF-LSDHHAIUSA-N 0 3 364.877 2.455 20 30 FEEDHN CN1C(=O)C[C@H](NC(=O)[C@H](N)CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000594443745 673072341 /nfs/dbraw/zinc/07/23/41/673072341.db2.gz TYVYSKMAVXYOSJ-HLLBOEOZSA-N 0 3 362.861 2.139 20 30 FEEDHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594445591 673073056 /nfs/dbraw/zinc/07/30/56/673073056.db2.gz IJEDLGUMIMBZAW-XJKSGUPXSA-N 0 3 366.487 2.113 20 30 FEEDHN COC[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1 ZINC000595614829 673273985 /nfs/dbraw/zinc/27/39/85/673273985.db2.gz IYUKZAZUYVRRPD-MRXNPFEDSA-N 0 3 351.834 2.181 20 30 FEEDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595630718 673276224 /nfs/dbraw/zinc/27/62/24/673276224.db2.gz BHWXFBVMVDMGON-SRCQZFHVSA-N 0 3 365.861 2.306 20 30 FEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595661486 673280069 /nfs/dbraw/zinc/28/00/69/673280069.db2.gz CEMNPUKDUMMGCP-AWEZNQCLSA-N 0 3 361.515 2.324 20 30 FEEDHN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000730919927 673295422 /nfs/dbraw/zinc/29/54/22/673295422.db2.gz HAVYRAHXYXLUFO-SNVBAGLBSA-N 0 3 354.815 2.284 20 30 FEEDHN CCNc1nc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000596829602 673417638 /nfs/dbraw/zinc/41/76/38/673417638.db2.gz ULJKTRMAIMZHRO-UHFFFAOYSA-N 0 3 357.483 2.651 20 30 FEEDHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)C(C#N)c1nc(C)cs1 ZINC000733677988 673431297 /nfs/dbraw/zinc/43/12/97/673431297.db2.gz WZMVZQNQVQJDKG-QWHCGFSZSA-N 0 3 355.485 2.222 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@@H]1N1CCCC1 ZINC000597507690 673483385 /nfs/dbraw/zinc/48/33/85/673483385.db2.gz RSPADOGTUDGTQI-JKSUJKDBSA-N 0 3 351.422 2.488 20 30 FEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)s1 ZINC000539473359 673492115 /nfs/dbraw/zinc/49/21/15/673492115.db2.gz RJXUNVFGTKLXED-ZDUSSCGKSA-N 0 3 357.435 2.034 20 30 FEEDHN CN(C)C[C@H](CO)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000597653793 673496600 /nfs/dbraw/zinc/49/66/00/673496600.db2.gz MMUWSRXXUPARIF-MRXNPFEDSA-N 0 3 355.463 2.362 20 30 FEEDHN COCCCN(C(=O)c1cc(F)c(C#N)c(F)c1)C1CCN(C)CC1 ZINC000597669610 673497643 /nfs/dbraw/zinc/49/76/43/673497643.db2.gz BYRVVXAZUXTALK-UHFFFAOYSA-N 0 3 351.397 2.409 20 30 FEEDHN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000739142507 673628649 /nfs/dbraw/zinc/62/86/49/673628649.db2.gz ACSBPKFYRDVQIC-ZDUSSCGKSA-N 0 3 351.447 2.401 20 30 FEEDHN N#CC1(C[C@H](O)CN[C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000599425421 673674330 /nfs/dbraw/zinc/67/43/30/673674330.db2.gz GKTXOACFVZQANW-SMDDNHRTSA-N 0 3 357.223 2.266 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000818584606 675226224 /nfs/dbraw/zinc/22/62/24/675226224.db2.gz RAFVKCJZARWTAP-UHFFFAOYSA-N 0 3 361.833 2.020 20 30 FEEDHN C=CCn1c(Cc2nc(C)cs2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000566738325 675239081 /nfs/dbraw/zinc/23/90/81/675239081.db2.gz WBJOWEODLWHVOC-OAHLLOKOSA-N 0 3 358.515 2.493 20 30 FEEDHN C=C(Br)CNC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000818979525 675249339 /nfs/dbraw/zinc/24/93/39/675249339.db2.gz PGPCEDLHGHQVNS-CYBMUJFWSA-N 0 3 363.296 2.493 20 30 FEEDHN O=C(NCCNC[C@@H](O)c1ccc(Cl)cc1Cl)C1N=CC=CC1=O ZINC000819049623 675255607 /nfs/dbraw/zinc/25/56/07/675255607.db2.gz MFOBWPLDLUPBTG-HDUPEWFZSA-N 0 3 370.236 2.143 20 30 FEEDHN C#C[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1ccc(Cl)cc1F ZINC000820750143 675385038 /nfs/dbraw/zinc/38/50/38/675385038.db2.gz LAQUQOXGWRRHFE-WMLDXEAASA-N 0 3 367.852 2.299 20 30 FEEDHN N#CCc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000619492386 676380988 /nfs/dbraw/zinc/38/09/88/676380988.db2.gz MQTCMELUYWUDKS-VQIMIIECSA-N 0 3 359.495 2.390 20 30 FEEDHN CC#CC[C@@H](CO)NCc1cc(Br)c2c(c1)OCCCO2 ZINC000641768790 677215290 /nfs/dbraw/zinc/21/52/90/677215290.db2.gz IAWLHXJBFSZFCB-ZDUSSCGKSA-N 0 3 354.244 2.474 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)CNC2(CO)CCSCC2)cc1C ZINC000839179903 680743407 /nfs/dbraw/zinc/74/34/07/680743407.db2.gz OXWKSVOPJFJTDU-UHFFFAOYSA-N 0 3 361.511 2.398 20 30 FEEDHN C[C@H]1CN(C(=S)Nc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000763297474 680778944 /nfs/dbraw/zinc/77/89/44/680778944.db2.gz AZMCOPKFSNJAHX-YJBOKZPZSA-N 0 3 357.527 2.213 20 30 FEEDHN Cc1nn(CC(F)(F)F)cc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000763479668 680784151 /nfs/dbraw/zinc/78/41/51/680784151.db2.gz RPQHNSCEFRULGH-JTQLQIEISA-N 0 3 351.288 2.110 20 30 FEEDHN C=CCCC1(CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCCC1 ZINC000668527569 679182503 /nfs/dbraw/zinc/18/25/03/679182503.db2.gz WSAZYUNOZKAVLL-IBGZPJMESA-N 0 3 367.559 2.183 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000748001951 679920087 /nfs/dbraw/zinc/92/00/87/679920087.db2.gz UKXILNVYKYNMKL-PXAZEXFGSA-N 0 3 352.837 2.362 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000749839882 680079730 /nfs/dbraw/zinc/07/97/30/680079730.db2.gz FZBGGPGLUFRADU-AWEZNQCLSA-N 0 3 354.495 2.097 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC000993161184 680152079 /nfs/dbraw/zinc/15/20/79/680152079.db2.gz GDZGJJCHGQGLIB-YZVOILCLSA-N 0 3 369.937 2.412 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNCc2csnc2OC)C1 ZINC001024165898 680282721 /nfs/dbraw/zinc/28/27/21/680282721.db2.gz XRUVHFYKNPNGAL-BMFZPTHFSA-N 0 3 365.499 2.071 20 30 FEEDHN Cn1ncc(CCC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000835065253 680292598 /nfs/dbraw/zinc/29/25/98/680292598.db2.gz NVRKWUPNAKWPPE-CYBMUJFWSA-N 0 3 366.208 2.402 20 30 FEEDHN C#CC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000753945959 680325807 /nfs/dbraw/zinc/32/58/07/680325807.db2.gz BVKHLQNKSQWIIR-UHFFFAOYSA-N 0 3 353.388 2.357 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC(NCc2csnc2OC)CC1 ZINC001026563818 680347219 /nfs/dbraw/zinc/34/72/19/680347219.db2.gz IFWWECGGHRNPRY-FJBKBRRZSA-N 0 3 365.499 2.260 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC(NCc2snnc2C)CC1 ZINC001026575401 680347645 /nfs/dbraw/zinc/34/76/45/680347645.db2.gz PLHWRLCHTYBVLC-NDTCATRNSA-N 0 3 364.515 2.345 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(CCc2csc(C)n2)C1 ZINC001028860784 680385839 /nfs/dbraw/zinc/38/58/39/680385839.db2.gz DTODCFVMMCDYDS-NJAFHUGGSA-N 0 3 363.527 2.413 20 30 FEEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000755751921 680433490 /nfs/dbraw/zinc/43/34/90/680433490.db2.gz SDLWYSIUCJTSRL-MBNYWOFBSA-N 0 3 351.447 2.303 20 30 FEEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001004549365 680559856 /nfs/dbraw/zinc/55/98/56/680559856.db2.gz YHCZPTGUGNQUFK-IXDOHACOSA-N 0 3 367.921 2.344 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@@H]1COC(=O)C1 ZINC000766256887 680872040 /nfs/dbraw/zinc/87/20/40/680872040.db2.gz FMIWPFKSQBHFGZ-WDEREUQCSA-N 0 3 364.785 2.258 20 30 FEEDHN C[C@H](C[C@H](O)c1cccs1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000843103448 680987966 /nfs/dbraw/zinc/98/79/66/680987966.db2.gz BGXAZRACMRXAMD-CJNGLKHVSA-N 0 3 364.492 2.495 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000770886069 681031060 /nfs/dbraw/zinc/03/10/60/681031060.db2.gz SOUYHTXKAYFABX-INIZCTEOSA-N 0 3 354.372 2.200 20 30 FEEDHN COCCN(C(=O)OC(C)(C)C)C1CCN(CCO[C@@H](C)C#N)CC1 ZINC000844356851 681053602 /nfs/dbraw/zinc/05/36/02/681053602.db2.gz UBESVYOALHITGI-HNNXBMFYSA-N 0 3 355.479 2.263 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844360526 681053811 /nfs/dbraw/zinc/05/38/11/681053811.db2.gz QSVHPPMVJARHAR-VCBZYWHSSA-N 0 3 351.491 2.304 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNCc2ccccc2Cl)C1 ZINC001051834613 681069789 /nfs/dbraw/zinc/06/97/89/681069789.db2.gz SBXNIEBLBAFMQC-NUJGCVRESA-N 0 3 364.873 2.248 20 30 FEEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc1C ZINC000774054692 681166581 /nfs/dbraw/zinc/16/65/81/681166581.db2.gz LQLFYJFUZYYBAT-GFCCVEGCSA-N 0 3 357.391 2.492 20 30 FEEDHN COCCCOCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000776078264 681361804 /nfs/dbraw/zinc/36/18/04/681361804.db2.gz WIIBLVWPRPMMQZ-GFCCVEGCSA-N 0 3 354.790 2.049 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933449874 681415259 /nfs/dbraw/zinc/41/52/59/681415259.db2.gz RIKFJXBFQHHAOY-QZTJIDSGSA-N 0 3 351.878 2.278 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccncc2Br)CC1 ZINC000874631650 685440431 /nfs/dbraw/zinc/44/04/31/685440431.db2.gz TZGZUGCQFCVPBP-LBPRGKRZSA-N 0 3 350.260 2.367 20 30 FEEDHN C=CCN1CCC(NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848581153 681582032 /nfs/dbraw/zinc/58/20/32/681582032.db2.gz KELJIRFSLBWZCT-UHFFFAOYSA-N 0 3 355.341 2.333 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)CN(CCCC)CCO2 ZINC000949492391 681643894 /nfs/dbraw/zinc/64/38/94/681643894.db2.gz AKQGEFBAGUTKNA-ROUUACIJSA-N 0 3 350.503 2.461 20 30 FEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cncc(Br)c1 ZINC000850444844 681902690 /nfs/dbraw/zinc/90/26/90/681902690.db2.gz ZWHGNBRTQGWHAH-SJHSGFPMSA-N 0 3 365.231 2.021 20 30 FEEDHN CC(C)(C)O[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000850977493 681992184 /nfs/dbraw/zinc/99/21/84/681992184.db2.gz WQRGUCSUNHEQAV-UMVBOHGHSA-N 0 3 350.365 2.493 20 30 FEEDHN COCCCNC(=S)NN=C1CCN(CCc2ccc(F)cc2)CC1 ZINC000915944002 685519822 /nfs/dbraw/zinc/51/98/22/685519822.db2.gz BTARODYQXGSSDH-UHFFFAOYSA-N 0 3 366.506 2.321 20 30 FEEDHN CC(=O)Nc1ccc(S[C@@H](C)C(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000916875255 685528423 /nfs/dbraw/zinc/52/84/23/685528423.db2.gz LOEKABYRHRMSKJ-LRDDRELGSA-N 0 3 359.451 2.457 20 30 FEEDHN C#C[C@H](NC[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCO1 ZINC000784353177 682219291 /nfs/dbraw/zinc/21/92/91/682219291.db2.gz XZGDYBJXRUSMHF-CWRNSKLLSA-N 0 3 372.234 2.098 20 30 FEEDHN COC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](C)O1 ZINC000784368313 682220738 /nfs/dbraw/zinc/22/07/38/682220738.db2.gz XZBIMXZYZJGFAK-RDBSUJKOSA-N 0 3 359.451 2.208 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000852357431 682265857 /nfs/dbraw/zinc/26/58/57/682265857.db2.gz BECGAWAAXVFHTO-MRXNPFEDSA-N 0 3 362.905 2.421 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC000972665394 682429142 /nfs/dbraw/zinc/42/91/42/682429142.db2.gz RNJUNTNHAYYMLT-OAGGEKHMSA-N 0 3 369.937 2.411 20 30 FEEDHN Cc1c(Br)c(C)n(N=Cc2cnccc2N(C)C)c(=O)c1C#N ZINC000788454140 682531107 /nfs/dbraw/zinc/53/11/07/682531107.db2.gz OXLWLPXRVJACGH-UHFFFAOYSA-N 0 3 374.242 2.443 20 30 FEEDHN C#CCOc1ccccc1CNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788627847 682543941 /nfs/dbraw/zinc/54/39/41/682543941.db2.gz QJRQXABYVQWYOE-UHFFFAOYSA-N 0 3 358.463 2.239 20 30 FEEDHN CCC(=O)N[C@@H](CCSC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792101691 682788846 /nfs/dbraw/zinc/78/88/46/682788846.db2.gz TWEJFZASFNAVAM-WFASDCNBSA-N 0 3 356.451 2.454 20 30 FEEDHN CC(C)[C@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1 ZINC000856490879 682789078 /nfs/dbraw/zinc/78/90/78/682789078.db2.gz TYVZSYTZVQBYBZ-LSDHHAIUSA-N 0 3 352.479 2.030 20 30 FEEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](C)[S@@]1=O ZINC000792395873 682809011 /nfs/dbraw/zinc/80/90/11/682809011.db2.gz ZJLCVUVAMQOYBS-HEMWFJGUSA-N 0 3 361.492 2.314 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000858236536 682947810 /nfs/dbraw/zinc/94/78/10/682947810.db2.gz RFXDBUBBBDVGEJ-CQSZACIVSA-N 0 3 354.495 2.191 20 30 FEEDHN COC(=O)[C@@H]1C[C@H](F)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000796512015 683167055 /nfs/dbraw/zinc/16/70/55/683167055.db2.gz NQVYQPHWXJZOBG-GVXVVHGQSA-N 0 3 361.398 2.058 20 30 FEEDHN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000860472944 683248572 /nfs/dbraw/zinc/24/85/72/683248572.db2.gz GOMMMEJRSNMSFZ-KGLIPLIRSA-N 0 3 351.447 2.303 20 30 FEEDHN N#CC[C@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000928805434 683506260 /nfs/dbraw/zinc/50/62/60/683506260.db2.gz GCQQIGPDMHLHNK-HNNXBMFYSA-N 0 3 354.376 2.159 20 30 FEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)o1 ZINC000862537550 683598464 /nfs/dbraw/zinc/59/84/64/683598464.db2.gz CLHCQJCRVCLVME-QOWREQOWSA-N 0 3 353.344 2.382 20 30 FEEDHN N#Cc1ccc(CN2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)o1 ZINC000862537549 683598524 /nfs/dbraw/zinc/59/85/24/683598524.db2.gz CLHCQJCRVCLVME-PUPMMZHASA-N 0 3 353.344 2.382 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC1CC(CC(N)=O)C1 ZINC000922510229 683737707 /nfs/dbraw/zinc/73/77/07/683737707.db2.gz CMGOPYYYDYQOMG-UHFFFAOYSA-N 0 3 351.244 2.205 20 30 FEEDHN C=CCN(CC(F)(F)F)C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000865045736 683927158 /nfs/dbraw/zinc/92/71/58/683927158.db2.gz HGGRHCHIDBTEAU-NSHDSACASA-N 0 3 353.385 2.018 20 30 FEEDHN CN1CCC(NC(=S)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC1 ZINC000865258311 683958268 /nfs/dbraw/zinc/95/82/68/683958268.db2.gz VQIFCQYSXGSIBT-UHFFFAOYSA-N 0 3 354.483 2.184 20 30 FEEDHN CN(C)c1ccc(C#N)cc1CNC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000865583833 684001239 /nfs/dbraw/zinc/00/12/39/684001239.db2.gz XFNIEBVIZHHMDL-INIZCTEOSA-N 0 3 355.463 2.285 20 30 FEEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000865919270 684045455 /nfs/dbraw/zinc/04/54/55/684045455.db2.gz DDSYGRWEKNJARU-GLJUWKHASA-N 0 3 352.479 2.030 20 30 FEEDHN CCC(C)(C)N(CCC#N)C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000875569450 686040340 /nfs/dbraw/zinc/04/03/40/686040340.db2.gz FYKMBNQGIAGIHK-AWEZNQCLSA-N 0 3 354.495 2.372 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000876658197 686238127 /nfs/dbraw/zinc/23/81/27/686238127.db2.gz PIKUANVWGLORME-LBPRGKRZSA-N 0 3 361.671 2.279 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000876636161 686233770 /nfs/dbraw/zinc/23/37/70/686233770.db2.gz RFKTWKPADORYDI-LBPRGKRZSA-N 0 3 374.666 2.282 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000876640212 686234510 /nfs/dbraw/zinc/23/45/10/686234510.db2.gz NMRRPGAQFRRCLP-HNNXBMFYSA-N 0 3 353.825 2.473 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC ZINC000876697119 686246035 /nfs/dbraw/zinc/24/60/35/686246035.db2.gz QHHMEXKXOKQGSQ-NSHDSACASA-N 0 3 360.241 2.263 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000876751564 686261016 /nfs/dbraw/zinc/26/10/16/686261016.db2.gz ROPXOBVXUUWAMZ-CVEARBPZSA-N 0 3 372.296 2.299 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000876777468 686266588 /nfs/dbraw/zinc/26/65/88/686266588.db2.gz NFTZYPIGHBPOCB-SUMWQHHRSA-N 0 3 367.877 2.116 20 30 FEEDHN C#CCN(Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCCC1 ZINC000876784899 686268185 /nfs/dbraw/zinc/26/81/85/686268185.db2.gz QVJYNCCLDSFWIR-UHFFFAOYSA-N 0 3 371.300 2.474 20 30 FEEDHN CC(C)CS(=O)(=O)N1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877142596 686332059 /nfs/dbraw/zinc/33/20/59/686332059.db2.gz VDUVOUNIXJAKBG-UHFFFAOYSA-N 0 3 370.906 2.146 20 30 FEEDHN COC(=O)[C@]12CCC[C@H]1N([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000880183150 687012764 /nfs/dbraw/zinc/01/27/64/687012764.db2.gz MYVBSUIQICXJPB-LBTNJELSSA-N 0 3 359.451 2.143 20 30 FEEDHN C#CCC1(O)CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000880481511 687052859 /nfs/dbraw/zinc/05/28/59/687052859.db2.gz VNIWLUGUAPBLKI-CQSZACIVSA-N 0 3 357.372 2.295 20 30 FEEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000882768283 687479912 /nfs/dbraw/zinc/47/99/12/687479912.db2.gz XJTAKUMKIFEMNI-UHFFFAOYSA-N 0 3 353.875 2.461 20 30 FEEDHN Cc1nc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(Cl)cc1C#N ZINC000882814294 687501216 /nfs/dbraw/zinc/50/12/16/687501216.db2.gz IOYJVXPLYOBESD-UHFFFAOYSA-N 0 3 361.877 2.225 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1Cl ZINC000884100912 687789103 /nfs/dbraw/zinc/78/91/03/687789103.db2.gz JBVIPWRPKCCNMD-BJCXPLBRSA-N 0 3 360.845 2.120 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@@H](O)c1cc3ccccc3s1)C2 ZINC000884140255 687798687 /nfs/dbraw/zinc/79/86/87/687798687.db2.gz NZYPYDTWBSPWKE-YYHKSVKZSA-N 0 3 355.463 2.190 20 30 FEEDHN C#CCN(C(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886573701 688278008 /nfs/dbraw/zinc/27/80/08/688278008.db2.gz SPGYADLRUAYWCO-INIZCTEOSA-N 0 3 351.491 2.188 20 30 FEEDHN C#CCN(C(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886577374 688279049 /nfs/dbraw/zinc/27/90/49/688279049.db2.gz GHORZLAUTREITB-GJZGRUSLSA-N 0 3 351.491 2.092 20 30 FEEDHN C#CCN(C(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886577376 688279079 /nfs/dbraw/zinc/27/90/79/688279079.db2.gz GHORZLAUTREITB-LSDHHAIUSA-N 0 3 351.491 2.092 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(S(C)(=O)=O)CC1 ZINC000892420634 689193834 /nfs/dbraw/zinc/19/38/34/689193834.db2.gz VGSAWZPBVYCEAE-RUXDESIVSA-N 0 3 359.451 2.353 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCCCC2(C(=O)OC)CCC2)CC1 ZINC000892858901 689255084 /nfs/dbraw/zinc/25/50/84/689255084.db2.gz YOUGVROYBZGPNP-UHFFFAOYSA-N 0 3 351.491 2.450 20 30 FEEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000898149850 690134461 /nfs/dbraw/zinc/13/44/61/690134461.db2.gz HUGAGQJUWHNLFM-CYBMUJFWSA-N 0 3 374.242 2.185 20 30 FEEDHN N#Cc1ccc(Br)c(CN[C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000898149851 690134507 /nfs/dbraw/zinc/13/45/07/690134507.db2.gz HUGAGQJUWHNLFM-ZDUSSCGKSA-N 0 3 374.242 2.185 20 30 FEEDHN C#CCOc1ccc(CN2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1 ZINC000898398150 690174955 /nfs/dbraw/zinc/17/49/55/690174955.db2.gz CMECCCYYNSKXMP-VWLOTQADSA-N 0 3 363.527 2.485 20 30 FEEDHN N#Cc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc12 ZINC001164746441 720760127 /nfs/dbraw/zinc/76/01/27/720760127.db2.gz YECNTQCOEOQBAD-DLBZAZTESA-N 0 3 372.432 2.238 20 30 FEEDHN Cc1nc(C#N)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912095 721548712 /nfs/dbraw/zinc/54/87/12/721548712.db2.gz YRRJPMHAWFGNQU-AEFFLSMTSA-N 0 3 353.401 2.138 20 30 FEEDHN CCN1CCN(c2ccc(C(=O)Nc3cc(C)n(CCC#N)n3)cc2)CC1 ZINC000504254449 815149728 /nfs/dbraw/zinc/14/97/28/815149728.db2.gz SXBUKQZSKBSAMH-UHFFFAOYSA-N 0 3 366.469 2.499 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2n[nH]cc2c1)C(C)C ZINC000076240487 542249563 /nfs/dbraw/zinc/24/95/63/542249563.db2.gz NETLTIFKWDEBSA-SFHVURJKSA-N 0 3 369.469 2.316 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C)C1 ZINC000041653143 540029715 /nfs/dbraw/zinc/02/97/15/540029715.db2.gz OCMWGFHIVTVYNC-OLZOCXBDSA-N 0 3 362.861 2.387 20 30 FEEDHN C=CCn1c(SCC(=O)NC2CCN(C3CC3)CC2)nnc1C1CC1 ZINC000043851448 540112429 /nfs/dbraw/zinc/11/24/29/540112429.db2.gz WIYIYPRGUYSXOD-UHFFFAOYSA-N 0 3 361.515 2.177 20 30 FEEDHN Cc1cc(NC(=O)CCN2CCCN(c3ccccc3C#N)CC2)no1 ZINC000046086534 540241555 /nfs/dbraw/zinc/24/15/55/540241555.db2.gz XTDLVYWRYRTTOK-UHFFFAOYSA-N 0 3 353.426 2.396 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000046380718 540254886 /nfs/dbraw/zinc/25/48/86/540254886.db2.gz XQJMPSMPIYCXJS-INIZCTEOSA-N 0 3 373.476 2.261 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCNC(=O)C(C)(C)C ZINC000047010213 540284704 /nfs/dbraw/zinc/28/47/04/540284704.db2.gz IXEXEBXMONQXPM-UHFFFAOYSA-N 0 3 372.513 2.391 20 30 FEEDHN C[C@@H]1CN(C(=O)C2CCN(CCOc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000051764632 540443712 /nfs/dbraw/zinc/44/37/12/540443712.db2.gz PVDCTMXAOXOCOK-IAGOWNOFSA-N 0 3 371.481 2.285 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)NCCCCN1CCN(CC)CC1 ZINC000056642746 540737568 /nfs/dbraw/zinc/73/75/68/540737568.db2.gz HFVFTDAZAFOJPR-UHFFFAOYSA-N 0 3 373.501 2.496 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N(C)C1CC1 ZINC000076301077 542258266 /nfs/dbraw/zinc/25/82/66/542258266.db2.gz WLOXXJOFBOJKSC-JTQLQIEISA-N 0 3 368.359 2.114 20 30 FEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000066561892 541335937 /nfs/dbraw/zinc/33/59/37/541335937.db2.gz VIOKMERERRAKSV-CVEARBPZSA-N 0 3 356.470 2.070 20 30 FEEDHN N#CCCN(C(=O)CCC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000066622053 541348660 /nfs/dbraw/zinc/34/86/60/541348660.db2.gz NAFVEJQUMUYROX-INIZCTEOSA-N 0 3 354.454 2.066 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCN1C ZINC000542838648 541484566 /nfs/dbraw/zinc/48/45/66/541484566.db2.gz MWMDCBAFBLDSGZ-OLZOCXBDSA-N 0 3 356.405 2.487 20 30 FEEDHN CN(CC(=O)N(CCC#N)CCC#N)C1CCN(c2cccc(F)c2)CC1 ZINC000072826212 541873985 /nfs/dbraw/zinc/87/39/85/541873985.db2.gz UTHQPNPYVOSZCK-UHFFFAOYSA-N 0 3 371.460 2.382 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2nc(-c3ccc(F)cc3)c[nH]2)CC1 ZINC000074024973 542027536 /nfs/dbraw/zinc/02/75/36/542027536.db2.gz AVSWHGKOIPDEQI-UHFFFAOYSA-N 0 3 354.429 2.220 20 30 FEEDHN COCCN(C)CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076460952 542281410 /nfs/dbraw/zinc/28/14/10/542281410.db2.gz NAAQABJHVNNBOU-UHFFFAOYSA-N 0 3 357.410 2.038 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000077202539 542353321 /nfs/dbraw/zinc/35/33/21/542353321.db2.gz XZCFKEVKSCCYJZ-MRXNPFEDSA-N 0 3 373.501 2.350 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000077276592 542360634 /nfs/dbraw/zinc/36/06/34/542360634.db2.gz YCJMASCOADNBQV-KRWDZBQOSA-N 0 3 359.470 2.430 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)CCCC(=O)Nc1c(C)cccc1C ZINC000078256386 542450959 /nfs/dbraw/zinc/45/09/59/542450959.db2.gz VIJDMJBINHSOJH-OAHLLOKOSA-N 0 3 366.483 2.128 20 30 FEEDHN CC(C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1)C(F)(F)F ZINC000079898314 542548800 /nfs/dbraw/zinc/54/88/00/542548800.db2.gz ZYVXVDQWGGRRGR-JTQLQIEISA-N 0 3 355.320 2.381 20 30 FEEDHN Cc1nccn1CCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000080053116 542560290 /nfs/dbraw/zinc/56/02/90/542560290.db2.gz FVXYZGXEWHFXIS-UHFFFAOYSA-N 0 3 368.485 2.227 20 30 FEEDHN COCCCN1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000081085779 542629940 /nfs/dbraw/zinc/62/99/40/542629940.db2.gz IQMPJMBOQOJESB-UHFFFAOYSA-N 0 3 364.877 2.194 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CCN1CCCC1 ZINC000089899249 542772227 /nfs/dbraw/zinc/77/22/27/542772227.db2.gz UDOTXRSSBHUVJX-QGZVFWFLSA-N 0 3 358.486 2.358 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000091581406 542813140 /nfs/dbraw/zinc/81/31/40/542813140.db2.gz ISJMWIRWMQGQQA-NHCUHLMSSA-N 0 3 368.525 2.243 20 30 FEEDHN C#CCOc1ccc(CN2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 ZINC000092759545 542885540 /nfs/dbraw/zinc/88/55/40/542885540.db2.gz VCHQFSSSLDGTSO-UHFFFAOYSA-N 0 3 366.465 2.074 20 30 FEEDHN COCCOc1ncccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000093242928 542920491 /nfs/dbraw/zinc/92/04/91/542920491.db2.gz KYVUSCDSNOGAFM-AWEZNQCLSA-N 0 3 350.378 2.484 20 30 FEEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000102962825 543086939 /nfs/dbraw/zinc/08/69/39/543086939.db2.gz VCRQEUVJJHZDNA-QGZVFWFLSA-N 0 3 360.433 2.263 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000106035042 543186456 /nfs/dbraw/zinc/18/64/56/543186456.db2.gz XJZPJEITSCUWKZ-UHFFFAOYSA-N 0 3 364.453 2.096 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 ZINC000106039297 543186978 /nfs/dbraw/zinc/18/69/78/543186978.db2.gz VXYLOGCNNXCDDM-UHFFFAOYSA-N 0 3 354.454 2.326 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000106262050 543221106 /nfs/dbraw/zinc/22/11/06/543221106.db2.gz PVOAIIWQQSZMSR-UHFFFAOYSA-N 0 3 362.430 2.443 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(=O)NCC)cc2)CC1 ZINC000106319429 543223004 /nfs/dbraw/zinc/22/30/04/543223004.db2.gz FWBRBPDCXOOJJO-UHFFFAOYSA-N 0 3 374.485 2.364 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC1CCN(C)CC1 ZINC000108604459 543297146 /nfs/dbraw/zinc/29/71/46/543297146.db2.gz CICOVJNSXGFNQS-CYBMUJFWSA-N 0 3 360.483 2.087 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000111911412 543424930 /nfs/dbraw/zinc/42/49/30/543424930.db2.gz KEZVYLJXSSFYEL-OAHLLOKOSA-N 0 3 350.422 2.133 20 30 FEEDHN C=CCCO[C@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000112256111 543436335 /nfs/dbraw/zinc/43/63/35/543436335.db2.gz JYELHBQEGMAHET-MRXNPFEDSA-N 0 3 359.470 2.432 20 30 FEEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121285873 543691291 /nfs/dbraw/zinc/69/12/91/543691291.db2.gz DTYGQARELRMYQC-UHFFFAOYSA-N 0 3 374.428 2.413 20 30 FEEDHN C=CCOc1ccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000119830843 543672558 /nfs/dbraw/zinc/67/25/58/543672558.db2.gz LLQBMZNOWIANQZ-HXUWFJFHSA-N 0 3 366.461 2.400 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(S(=O)(=O)CC)c2)CC1 ZINC000123487135 543765214 /nfs/dbraw/zinc/76/52/14/543765214.db2.gz OATPQJGOQWJQMB-UHFFFAOYSA-N 0 3 364.511 2.179 20 30 FEEDHN CCN(CCC#N)C(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000123994584 543795289 /nfs/dbraw/zinc/79/52/89/543795289.db2.gz KLYALGNYYWSTST-UHFFFAOYSA-N 0 3 372.469 2.252 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000125037202 543857331 /nfs/dbraw/zinc/85/73/31/543857331.db2.gz DHFHAVJYQPPRNA-MRXNPFEDSA-N 0 3 373.501 2.029 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000125092827 543859913 /nfs/dbraw/zinc/85/99/13/543859913.db2.gz PWLACAFPDAFBQO-MRXNPFEDSA-N 0 3 361.486 2.016 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC(C)(C)CC3)CC2)o1 ZINC000127133387 543975056 /nfs/dbraw/zinc/97/50/56/543975056.db2.gz XKXWFHYCIKPIGL-UHFFFAOYSA-N 0 3 359.474 2.015 20 30 FEEDHN C=CCCOCCNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000127287034 543983522 /nfs/dbraw/zinc/98/35/22/543983522.db2.gz PQKNRCGSGULSDP-UHFFFAOYSA-N 0 3 361.486 2.035 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCN(c3ccccn3)C2)CC1 ZINC000127355333 543987507 /nfs/dbraw/zinc/98/75/07/543987507.db2.gz UPLLVVODZSJRPW-SFHVURJKSA-N 0 3 357.502 2.390 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000129264289 544101351 /nfs/dbraw/zinc/10/13/51/544101351.db2.gz BFTUILBIUHOIRY-KRWDZBQOSA-N 0 3 353.422 2.420 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000134907605 544326967 /nfs/dbraw/zinc/32/69/67/544326967.db2.gz JAFGTVRUDKYOKO-MRXNPFEDSA-N 0 3 362.470 2.083 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135293783 544340751 /nfs/dbraw/zinc/34/07/51/544340751.db2.gz JOYXLYDDUMAOLE-LJQANCHMSA-N 0 3 354.498 2.226 20 30 FEEDHN CN(C)CCn1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)n1 ZINC000151360428 544532016 /nfs/dbraw/zinc/53/20/16/544532016.db2.gz AANPDBJQKBYOHQ-UHFFFAOYSA-N 0 3 368.441 2.064 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000151603829 544561540 /nfs/dbraw/zinc/56/15/40/544561540.db2.gz UVFDFISGIGMJTP-QGZVFWFLSA-N 0 3 354.454 2.268 20 30 FEEDHN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153267561 544753977 /nfs/dbraw/zinc/75/39/77/544753977.db2.gz WNQRDVAWHWAXRU-UONOGXRCSA-N 0 3 366.469 2.094 20 30 FEEDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155208307 545002002 /nfs/dbraw/zinc/00/20/02/545002002.db2.gz OCHXMFOMOOWYRG-ZDUSSCGKSA-N 0 3 372.288 2.035 20 30 FEEDHN COCCN1CC[C@@H](Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000553058861 674235791 /nfs/dbraw/zinc/23/57/91/674235791.db2.gz RSDWXOASQRCSDG-LLVKDONJSA-N 0 3 350.344 2.078 20 30 FEEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190614882 328219632 /nfs/dbraw/zinc/21/96/32/328219632.db2.gz ZLPFPSMUSDRPBF-RHSMWYFYSA-N 0 3 357.454 2.369 20 30 FEEDHN N#Cc1ccc(Br)c(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000191805456 328282918 /nfs/dbraw/zinc/28/29/18/328282918.db2.gz WYQGWQIKAUKVIQ-OAHLLOKOSA-N 0 3 364.287 2.475 20 30 FEEDHN CN(CC(=O)OC(C)(C)C)[C@H]1CN(CCCCC(C)(C)C#N)C[C@H]1O ZINC000553896182 674293142 /nfs/dbraw/zinc/29/31/42/674293142.db2.gz SLLCCEBBJWAHPE-JKSUJKDBSA-N 0 3 353.507 2.025 20 30 FEEDHN CCC[C@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000121010251 326305981 /nfs/dbraw/zinc/30/59/81/326305981.db2.gz XCJRXKDDNDKYQP-INIZCTEOSA-N 0 3 359.474 2.015 20 30 FEEDHN N#Cc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127822549 326513156 /nfs/dbraw/zinc/51/31/56/326513156.db2.gz KTMATWMHVWVIME-UHFFFAOYSA-N 0 3 355.872 2.341 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000127930461 326515034 /nfs/dbraw/zinc/51/50/34/326515034.db2.gz RGXRRJCCMHKELZ-ROUUACIJSA-N 0 3 358.467 2.302 20 30 FEEDHN N#Cc1ccc(N2C(=O)C[C@H](N3CCN(C4CCCCC4)CC3)C2=O)cc1 ZINC000130447114 326556953 /nfs/dbraw/zinc/55/69/53/326556953.db2.gz CHXALFUPJRVGAR-IBGZPJMESA-N 0 3 366.465 2.140 20 30 FEEDHN COCCN1CCC(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000141345863 326664785 /nfs/dbraw/zinc/66/47/85/326664785.db2.gz BQCWSJJMKPHQSO-IBGZPJMESA-N 0 3 359.470 2.189 20 30 FEEDHN COCCCN1CCC(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000161184182 326991015 /nfs/dbraw/zinc/99/10/15/326991015.db2.gz ZJEBPLDKRJHFQF-UHFFFAOYSA-N 0 3 359.470 2.333 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000171620857 327148601 /nfs/dbraw/zinc/14/86/01/327148601.db2.gz NIFVSGHNAVBJMW-MRXNPFEDSA-N 0 3 364.453 2.304 20 30 FEEDHN N#Cc1ccc(CNC2CCN(S(=O)(=O)Cc3ccccc3)CC2)o1 ZINC000174407046 327325072 /nfs/dbraw/zinc/32/50/72/327325072.db2.gz YXIFYHUWVMGLDT-UHFFFAOYSA-N 0 3 359.451 2.235 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)c1C#N ZINC000174761557 327349119 /nfs/dbraw/zinc/34/91/19/327349119.db2.gz PHCUDYWRKGMQKZ-KRWDZBQOSA-N 0 3 364.449 2.094 20 30 FEEDHN CN(C)CCOc1ccc(CCNC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000264273888 329006611 /nfs/dbraw/zinc/00/66/11/329006611.db2.gz SDWUMTICRDGPDS-UHFFFAOYSA-N 0 3 351.450 2.400 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1Cl ZINC000264479688 329027449 /nfs/dbraw/zinc/02/74/49/329027449.db2.gz NCBOMHAKGCMORA-OAHLLOKOSA-N 0 3 360.845 2.237 20 30 FEEDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000264746134 329056025 /nfs/dbraw/zinc/05/60/25/329056025.db2.gz UCLIWLQFJKKDNC-GOEBONIOSA-N 0 3 363.458 2.143 20 30 FEEDHN CC(C)OC(=O)[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000266747595 329255849 /nfs/dbraw/zinc/25/58/49/329255849.db2.gz DAAFQQKEJDAXBR-MRXNPFEDSA-N 0 3 374.485 2.219 20 30 FEEDHN CN1CCN(C(=O)c2ccc(CNCc3ccc(C#N)s3)cc2)CC1 ZINC000267221989 329304005 /nfs/dbraw/zinc/30/40/05/329304005.db2.gz SVFFBKPBUAISSU-UHFFFAOYSA-N 0 3 354.479 2.297 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1N(C)C ZINC000270686924 329622439 /nfs/dbraw/zinc/62/24/39/329622439.db2.gz WLZZDTRVJFLZMN-UONOGXRCSA-N 0 3 352.529 2.153 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1N1CCCC1 ZINC000274190956 329924713 /nfs/dbraw/zinc/92/47/13/329924713.db2.gz LOXTVXHZLSYCMP-LSDHHAIUSA-N 0 3 351.422 2.488 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccccc1CCN(C)C)c1ccc(C#N)cc1 ZINC000275615939 330070549 /nfs/dbraw/zinc/07/05/49/330070549.db2.gz MCRTXOVPHLMAOV-HNNXBMFYSA-N 0 3 364.449 2.478 20 30 FEEDHN CC(C)(O)CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000158188855 545833407 /nfs/dbraw/zinc/83/34/07/545833407.db2.gz QKEYHNZIOHQSGK-UHFFFAOYSA-N 0 3 356.388 2.325 20 30 FEEDHN N#Cc1cccc(/C=C/C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000160588401 546055250 /nfs/dbraw/zinc/05/52/50/546055250.db2.gz MIQAVCYYQOYODJ-KSDPHVGKSA-N 0 3 361.445 2.323 20 30 FEEDHN N=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)Nc1ccccn1 ZINC000170910683 546181802 /nfs/dbraw/zinc/18/18/02/546181802.db2.gz PWSHBFNGJSWCHN-LBPRGKRZSA-N 0 3 354.332 2.267 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000171704558 546219873 /nfs/dbraw/zinc/21/98/73/546219873.db2.gz ADOCYBHJBBWRTC-FQEVSTJZSA-N 0 3 372.513 2.010 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000171721476 546221953 /nfs/dbraw/zinc/22/19/53/546221953.db2.gz QSXNVMMEKOPHMK-HZPDHXFCSA-N 0 3 358.486 2.075 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)CC1 ZINC000171723352 546222005 /nfs/dbraw/zinc/22/20/05/546222005.db2.gz AWULOBANYDHXCX-UHFFFAOYSA-N 0 3 369.469 2.331 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(C)C ZINC000175950317 546377839 /nfs/dbraw/zinc/37/78/39/546377839.db2.gz MRTIYYUTMMYPDS-GOSISDBHSA-N 0 3 372.444 2.451 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](N3CCCC3)CC2)cc1 ZINC000176251152 546424789 /nfs/dbraw/zinc/42/47/89/546424789.db2.gz ZSWIGTGPJXWXCJ-SFHVURJKSA-N 0 3 361.511 2.282 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1COCCN1C1CCCC1)C(C)C ZINC000480948465 561220933 /nfs/dbraw/zinc/22/09/33/561220933.db2.gz AXNCVMDIWXXOPJ-WOJBJXKFSA-N 0 3 363.546 2.445 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(C)CCCO2)cc1 ZINC000480966606 561221502 /nfs/dbraw/zinc/22/15/02/561221502.db2.gz CSGQNRJRICMKGI-WBMJQRKESA-N 0 3 351.428 2.063 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(C)CCCO2)cc1 ZINC000480966603 561221591 /nfs/dbraw/zinc/22/15/91/561221591.db2.gz CSGQNRJRICMKGI-BLLLJJGKSA-N 0 3 351.428 2.063 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000178450448 546795677 /nfs/dbraw/zinc/79/56/77/546795677.db2.gz NOBDQAGVHCZVDC-QLFBSQMISA-N 0 3 356.470 2.288 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c(F)c1 ZINC000178863798 546863116 /nfs/dbraw/zinc/86/31/16/546863116.db2.gz UGHGBAMHKYRFCK-UHFFFAOYSA-N 0 3 358.417 2.113 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000179033417 546889371 /nfs/dbraw/zinc/88/93/71/546889371.db2.gz GLSWPRDRWITFSF-QAPCUYQASA-N 0 3 365.424 2.433 20 30 FEEDHN C=CCc1cc(CN2CCC(C(=O)N3CCOCC3)CC2)cc(OC)c1O ZINC000179689365 546998765 /nfs/dbraw/zinc/99/87/65/546998765.db2.gz CJGBGXTTXJXHIF-UHFFFAOYSA-N 0 3 374.481 2.200 20 30 FEEDHN N#CCCn1ccc(NC(=O)NCC2CCN(c3ccncc3)CC2)n1 ZINC000180893990 547204503 /nfs/dbraw/zinc/20/45/03/547204503.db2.gz WTXXMWNMCVJJFV-UHFFFAOYSA-N 0 3 353.430 2.230 20 30 FEEDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000181612382 547344426 /nfs/dbraw/zinc/34/44/26/547344426.db2.gz YBRQIFBTKJHWFJ-CYBMUJFWSA-N 0 3 374.422 2.096 20 30 FEEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182043216 547427355 /nfs/dbraw/zinc/42/73/55/547427355.db2.gz GCYGEUOGVWZWFZ-BEFAXECRSA-N 0 3 363.421 2.229 20 30 FEEDHN N#CCCN(C(=O)CN[C@H](CC(N)=O)C1CCCCC1)c1ccccc1 ZINC000182044118 547428211 /nfs/dbraw/zinc/42/82/11/547428211.db2.gz GIACLFKBZXWSAM-GOSISDBHSA-N 0 3 356.470 2.347 20 30 FEEDHN N#Cc1ccc(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)nc1 ZINC000182295685 547468599 /nfs/dbraw/zinc/46/85/99/547468599.db2.gz UPFVXNGKLZAWPC-UHFFFAOYSA-N 0 3 364.449 2.400 20 30 FEEDHN CC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCO1 ZINC000182355592 547478788 /nfs/dbraw/zinc/47/87/88/547478788.db2.gz MOAGXIFEOUIKKY-IAGOWNOFSA-N 0 3 353.426 2.230 20 30 FEEDHN CN(CCC1CC1)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182969811 547581085 /nfs/dbraw/zinc/58/10/85/547581085.db2.gz ARPORUIVPSCYGI-IBGZPJMESA-N 0 3 358.461 2.266 20 30 FEEDHN CCO[C@H]1COCC[C@H]1NCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000484649597 561302315 /nfs/dbraw/zinc/30/23/15/561302315.db2.gz ROTWGCAMKQUSIS-MOPGFXCFSA-N 0 3 359.470 2.334 20 30 FEEDHN C=C(C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000187755209 548262621 /nfs/dbraw/zinc/26/26/21/548262621.db2.gz UAECMWXPPBISIK-BBRMVZONSA-N 0 3 352.341 2.337 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)cc2OCCOC)CC1 ZINC000188415200 548279036 /nfs/dbraw/zinc/27/90/36/548279036.db2.gz IDEAWJHZILVCKF-UHFFFAOYSA-N 0 3 362.470 2.491 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC1(O)CCOCC1 ZINC000189761854 548310964 /nfs/dbraw/zinc/31/09/64/548310964.db2.gz SZUXSMQXQHCEHU-OAHLLOKOSA-N 0 3 352.500 2.125 20 30 FEEDHN C=CCN(CCOC)CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000191114073 548340189 /nfs/dbraw/zinc/34/01/89/548340189.db2.gz GIPDFEZGJSTKHS-UHFFFAOYSA-N 0 3 359.514 2.164 20 30 FEEDHN CCn1nccc1N1CCC[C@H](NCc2ccc(O[C@H](C)C#N)cc2)C1=O ZINC000191642560 548347398 /nfs/dbraw/zinc/34/73/98/548347398.db2.gz PPZWDBIZCHWQRN-QAPCUYQASA-N 0 3 367.453 2.479 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192450078 548363750 /nfs/dbraw/zinc/36/37/50/548363750.db2.gz MRTBEEWMXGYPRO-NSHGMRRFSA-N 0 3 362.514 2.196 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000192893843 548375269 /nfs/dbraw/zinc/37/52/69/548375269.db2.gz PEDSDLYNIVGBPC-UHFFFAOYSA-N 0 3 362.499 2.117 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)CC1 ZINC000194608436 548504981 /nfs/dbraw/zinc/50/49/81/548504981.db2.gz KFCVCGSJGAQWHO-IYBDPMFKSA-N 0 3 358.486 2.075 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245609050 548956931 /nfs/dbraw/zinc/95/69/31/548956931.db2.gz KWBPTZWCILVFAH-WMZOPIPTSA-N 0 3 369.465 2.421 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000246674146 549186763 /nfs/dbraw/zinc/18/67/63/549186763.db2.gz LLRWGLOJBZNXCF-MJGOQNOKSA-N 0 3 356.470 2.159 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000246814789 549219043 /nfs/dbraw/zinc/21/90/43/549219043.db2.gz VHSHDGAJDJGPGB-PMACEKPBSA-N 0 3 369.513 2.280 20 30 FEEDHN CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2ccc([O-])c(F)c2)=[NH+]C)C1 ZINC000261823618 549759638 /nfs/dbraw/zinc/75/96/38/549759638.db2.gz USDKDONVRMMVNC-LCHIKPRUSA-N 0 3 355.479 2.276 20 30 FEEDHN COCCN(C)CCCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000264002516 549966680 /nfs/dbraw/zinc/96/66/80/549966680.db2.gz RMVGSKNSHSHHKZ-UHFFFAOYSA-N 0 3 371.437 2.428 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@@H](N(C)C)C1 ZINC000264656388 549999466 /nfs/dbraw/zinc/99/94/66/549999466.db2.gz ZPDUNOKCMCEDFJ-IAGOWNOFSA-N 0 3 358.486 2.356 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](COCCOC)C1)C(C)C ZINC000266650832 550022470 /nfs/dbraw/zinc/02/24/70/550022470.db2.gz HAPNEMDCFZCNOT-OALUTQOASA-N 0 3 367.534 2.380 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCSc1n[nH]c(C)n1)C(C)C ZINC000266820313 550024624 /nfs/dbraw/zinc/02/46/24/550024624.db2.gz ICFAZEDRJUZZHJ-HNNXBMFYSA-N 0 3 351.520 2.410 20 30 FEEDHN CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCCN(CC#N)C1 ZINC000267106447 550027687 /nfs/dbraw/zinc/02/76/87/550027687.db2.gz PXEHVIGKFNFVHT-OAHLLOKOSA-N 0 3 354.454 2.460 20 30 FEEDHN C[C@@H]1CN(CC2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000268517010 550080324 /nfs/dbraw/zinc/08/03/24/550080324.db2.gz UDOOQVZMRGXBCE-ZIAGYGMSSA-N 0 3 359.430 2.187 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269037799 550147594 /nfs/dbraw/zinc/14/75/94/550147594.db2.gz BPXHDOJGLUWMPL-UHFFFAOYSA-N 0 3 350.422 2.493 20 30 FEEDHN COc1ccc(CN2CCC3(CNC(=O)C3)CC2)cc1OCCCC#N ZINC000271176801 550349106 /nfs/dbraw/zinc/34/91/06/550349106.db2.gz KBDNFZYFQMRTPP-UHFFFAOYSA-N 0 3 357.454 2.480 20 30 FEEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCSC[C@@H]3C#N)cc2)CC1 ZINC000271726804 550397759 /nfs/dbraw/zinc/39/77/59/550397759.db2.gz MQUIQHRPJJPVSJ-SFHVURJKSA-N 0 3 358.511 2.298 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O ZINC000494411529 561469246 /nfs/dbraw/zinc/46/92/46/561469246.db2.gz BVMKSDAMIVYFQF-DLBZAZTESA-N 0 3 362.518 2.108 20 30 FEEDHN C(#CCN1CCC(n2ccnc2)CC1)CN1CCC(n2ccnc2)CC1 ZINC000276280651 550577822 /nfs/dbraw/zinc/57/78/22/550577822.db2.gz FTGKLOOHTIPTAA-UHFFFAOYSA-N 0 3 352.486 2.057 20 30 FEEDHN CN1C(=O)C[C@H](NC[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000276961559 550615980 /nfs/dbraw/zinc/61/59/80/550615980.db2.gz QCSSLTLMUQMYSK-BJLQDIEVSA-N 0 3 371.387 2.431 20 30 FEEDHN CC(C)[N@H+](C)Cc1ccccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000276962483 550616138 /nfs/dbraw/zinc/61/61/38/550616138.db2.gz DNNAXIKDNRJXFX-UHFFFAOYSA-N 0 3 358.467 2.272 20 30 FEEDHN CC(C)[N@@H+](C)Cc1ccccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000276962483 550616140 /nfs/dbraw/zinc/61/61/40/550616140.db2.gz DNNAXIKDNRJXFX-UHFFFAOYSA-N 0 3 358.467 2.272 20 30 FEEDHN CC1CC[NH+](C2CCC([N-]S(=O)(=O)c3cccnc3C#N)CC2)CC1 ZINC000277142197 550636507 /nfs/dbraw/zinc/63/65/07/550636507.db2.gz KEPDXOMXIGMDLA-UHFFFAOYSA-N 0 3 362.499 2.275 20 30 FEEDHN CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Br)c1[O-] ZINC000277476778 550675247 /nfs/dbraw/zinc/67/52/47/550675247.db2.gz KHWBPVRLDLICHL-LBPRGKRZSA-N 0 3 355.280 2.043 20 30 FEEDHN CCNC(=O)C1(CNCc2cn(CCC#N)nc2-c2ccncc2)CCC1 ZINC000278553763 550798662 /nfs/dbraw/zinc/79/86/62/550798662.db2.gz BTHZWIMCFOGJBH-UHFFFAOYSA-N 0 3 366.469 2.255 20 30 FEEDHN CCOC(=O)c1ncn(C2CCN(Cc3ccc(C#N)cc3)CC2)c1N ZINC000279209051 550865316 /nfs/dbraw/zinc/86/53/16/550865316.db2.gz GVPCJCFOLPUYHW-UHFFFAOYSA-N 0 3 353.426 2.351 20 30 FEEDHN CCCCNC(=O)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279553762 550902420 /nfs/dbraw/zinc/90/24/20/550902420.db2.gz OFOXFGOWKIYYRK-RBUKOAKNSA-N 0 3 366.465 2.395 20 30 FEEDHN C[C@@H]1CN(C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000279769117 550926953 /nfs/dbraw/zinc/92/69/53/550926953.db2.gz SMEAKOPLVJXEKJ-JTDSTZFVSA-N 0 3 368.481 2.245 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000280158150 550966305 /nfs/dbraw/zinc/96/63/05/550966305.db2.gz BDZOJOLBDRDHFJ-UXHICEINSA-N 0 3 360.417 2.453 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@](C)(C(N)=O)C2)c1 ZINC000280714083 551024418 /nfs/dbraw/zinc/02/44/18/551024418.db2.gz JNDPKVJDJJWMTB-JXFKEZNVSA-N 0 3 356.470 2.136 20 30 FEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000281104059 551063587 /nfs/dbraw/zinc/06/35/87/551063587.db2.gz DGKUDKAQSNSECH-QAPCUYQASA-N 0 3 353.422 2.037 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000281448772 551098893 /nfs/dbraw/zinc/09/88/93/551098893.db2.gz FOVVZIRXJOLJEE-CQSZACIVSA-N 0 3 351.328 2.156 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CC(c3ccc(C)cc3)=NO2)CC1 ZINC000282076580 551177359 /nfs/dbraw/zinc/17/73/59/551177359.db2.gz BUAKZZAHJONFNC-SFHVURJKSA-N 0 3 356.470 2.438 20 30 FEEDHN C=CCOc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000497462083 561501313 /nfs/dbraw/zinc/50/13/13/561501313.db2.gz OOWYTDLCQRDDNZ-PXNSSMCTSA-N 0 3 357.498 2.349 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c(F)c1 ZINC000283086329 551309550 /nfs/dbraw/zinc/30/95/50/551309550.db2.gz YOSUACGRMOEXCJ-STQMWFEESA-N 0 3 363.408 2.121 20 30 FEEDHN C#CCCN1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000283650259 551403379 /nfs/dbraw/zinc/40/33/79/551403379.db2.gz DDBFEXAJAJXJKI-UHFFFAOYSA-N 0 3 359.474 2.232 20 30 FEEDHN Cc1nn(C[C@H]2CN(Cc3ccccc3)CCCO2)c(=O)c(C#N)c1C ZINC000284401989 551541880 /nfs/dbraw/zinc/54/18/80/551541880.db2.gz ZTNGDVYVOAPBKU-GOSISDBHSA-N 0 3 352.438 2.023 20 30 FEEDHN CN1CC[C@@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000284459100 551553601 /nfs/dbraw/zinc/55/36/01/551553601.db2.gz AHKHPRQSWIXUIP-PMACEKPBSA-N 0 3 365.481 2.369 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000284651359 551599296 /nfs/dbraw/zinc/59/92/96/551599296.db2.gz XTLUJGGMVWFUFY-IBGZPJMESA-N 0 3 355.482 2.329 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285576434 551777238 /nfs/dbraw/zinc/77/72/38/551777238.db2.gz OCIPZLCIQLUAGH-ZBFHGGJFSA-N 0 3 358.360 2.077 20 30 FEEDHN CCOc1ccc(O)c(/C=N/C(CS(=O)(=O)N(C)C)C(F)(F)F)c1 ZINC000285582126 551778303 /nfs/dbraw/zinc/77/83/03/551778303.db2.gz SQHZBAVGZVEMHM-NACCWKTGSA-N 0 3 368.377 2.032 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)CC1 ZINC000286640802 551909448 /nfs/dbraw/zinc/90/94/48/551909448.db2.gz MZHQIYRSFRGDLQ-MJGOQNOKSA-N 0 3 369.509 2.466 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CC)CCc2cccs2)CC1 ZINC000286842936 551932431 /nfs/dbraw/zinc/93/24/31/551932431.db2.gz YGZVRHYXYFRFPX-UHFFFAOYSA-N 0 3 363.527 2.296 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000287081354 551961177 /nfs/dbraw/zinc/96/11/77/551961177.db2.gz OGDVWFGQPQDWOR-OAHLLOKOSA-N 0 3 360.433 2.344 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCSC2)cc1 ZINC000287330933 551990547 /nfs/dbraw/zinc/99/05/47/551990547.db2.gz OSMUPHUEWUXMPG-DGCLKSJQSA-N 0 3 353.469 2.389 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287503154 552012663 /nfs/dbraw/zinc/01/26/63/552012663.db2.gz UPQDNANVOCIGPH-SIIHOXLZSA-N 0 3 356.445 2.123 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000287996773 552072710 /nfs/dbraw/zinc/07/27/10/552072710.db2.gz GNAVWLCJNCILEP-WFASDCNBSA-N 0 3 360.845 2.235 20 30 FEEDHN CCN(CCC#N)C(=O)CN[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289361372 552306937 /nfs/dbraw/zinc/30/69/37/552306937.db2.gz IVUYLBJFEWATHM-FUHWJXTLSA-N 0 3 350.413 2.062 20 30 FEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000290289272 552454656 /nfs/dbraw/zinc/45/46/56/552454656.db2.gz ASIZVHQHBSUVLA-VXKWHMMOSA-N 0 3 362.473 2.210 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000500934571 561586082 /nfs/dbraw/zinc/58/60/82/561586082.db2.gz JKSAUIKOKHFJDL-XJKSGUPXSA-N 0 3 353.463 2.332 20 30 FEEDHN CN1CCC(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000291486019 552629543 /nfs/dbraw/zinc/62/95/43/552629543.db2.gz LBEFSPSFOLWOHQ-UHFFFAOYSA-N 0 3 368.481 2.467 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000293459525 552826200 /nfs/dbraw/zinc/82/62/00/552826200.db2.gz TYWYMJNVLABKNX-UHFFFAOYSA-N 0 3 372.252 2.012 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000293508591 552830907 /nfs/dbraw/zinc/83/09/07/552830907.db2.gz XUZBPRVXTFUBEW-UHFFFAOYSA-N 0 3 370.497 2.077 20 30 FEEDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294243635 552890658 /nfs/dbraw/zinc/89/06/58/552890658.db2.gz PLRYHWPSJUYSFI-IAGOWNOFSA-N 0 3 351.447 2.086 20 30 FEEDHN C[C@@H](N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)O ZINC000295123357 552961198 /nfs/dbraw/zinc/96/11/98/552961198.db2.gz JBDWKAWPFGWWBC-CYBMUJFWSA-N 0 3 356.388 2.264 20 30 FEEDHN C=CCc1cc(C(=O)N[C@H]2CCCN(CCCO)C2)cc(OC)c1OC ZINC000295581070 553028250 /nfs/dbraw/zinc/02/82/50/553028250.db2.gz VRRPFZAXDUHTFR-KRWDZBQOSA-N 0 3 362.470 2.009 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000296943524 553232951 /nfs/dbraw/zinc/23/29/51/553232951.db2.gz PJAWOWNBARELDM-GFCCVEGCSA-N 0 3 353.264 2.159 20 30 FEEDHN C#CCOc1ccc(CNC(=O)NC2CCN(CCOC(C)C)CC2)cc1 ZINC000297027578 553244069 /nfs/dbraw/zinc/24/40/69/553244069.db2.gz LVFILAPXAYRGSA-UHFFFAOYSA-N 0 3 373.497 2.387 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000297256309 553270054 /nfs/dbraw/zinc/27/00/54/553270054.db2.gz YRSGDVIHBWCLBQ-IBGZPJMESA-N 0 3 355.482 2.335 20 30 FEEDHN CN1CC=C(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1 ZINC000297563143 553309448 /nfs/dbraw/zinc/30/94/48/553309448.db2.gz YAYIGLLAKRJKCC-UHFFFAOYSA-N 0 3 360.483 2.234 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)CC(C)(C)O)cc1 ZINC000297681996 553324012 /nfs/dbraw/zinc/32/40/12/553324012.db2.gz GIFLZPCBSCUBFS-NEPJUHHUSA-N 0 3 353.444 2.043 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)C(C)C ZINC000298521696 553435591 /nfs/dbraw/zinc/43/55/91/553435591.db2.gz VGNDCIHXRXTPFH-SFHVURJKSA-N 0 3 358.486 2.283 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cccc(C(N)=O)c1)C(C)C ZINC000298678026 553458001 /nfs/dbraw/zinc/45/80/01/553458001.db2.gz POTWXHUQWOFLBE-SFHVURJKSA-N 0 3 358.486 2.283 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000298721586 553463873 /nfs/dbraw/zinc/46/38/73/553463873.db2.gz OKPVZBXMARGBPX-UHFFFAOYSA-N 0 3 357.498 2.188 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)CC1 ZINC000299132619 553519523 /nfs/dbraw/zinc/51/95/23/553519523.db2.gz FDEJTXHANMOHQQ-UHFFFAOYSA-N 0 3 354.498 2.279 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCCN(C)CC2)c1C#N ZINC000299261836 553538690 /nfs/dbraw/zinc/53/86/90/553538690.db2.gz CMSLIJHCVQJLRV-UHFFFAOYSA-N 0 3 369.469 2.194 20 30 FEEDHN CCc1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N(C)C)cc1 ZINC000301208598 553631399 /nfs/dbraw/zinc/63/13/99/553631399.db2.gz SCIHMLNHLVDVGG-LJQANCHMSA-N 0 3 372.494 2.483 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000301637163 553667862 /nfs/dbraw/zinc/66/78/62/553667862.db2.gz XEGHNIODROHXHZ-UHFFFAOYSA-N 0 3 366.387 2.321 20 30 FEEDHN CCN1CCN([C@H](C)CNc2cc(C#N)c(Br)cn2)CC1 ZINC000603285237 553754160 /nfs/dbraw/zinc/75/41/60/553754160.db2.gz YGTLZQZTKUQATE-GFCCVEGCSA-N 0 3 352.280 2.154 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CNC(C)(C)C(C)(C)O ZINC000505610106 561675381 /nfs/dbraw/zinc/67/53/81/561675381.db2.gz MGSIDZHSTUPLSQ-UHFFFAOYSA-N 0 3 364.490 2.091 20 30 FEEDHN CN1CCN(CCNc2cc(C#N)c(Br)cn2)CC1(C)C ZINC000603369007 553773483 /nfs/dbraw/zinc/77/34/83/553773483.db2.gz FTYAYAKOINVSNC-UHFFFAOYSA-N 0 3 352.280 2.154 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000327624614 553790084 /nfs/dbraw/zinc/79/00/84/553790084.db2.gz OCLYEGPCMKHZPN-HOCLYGCPSA-N 0 3 358.360 2.077 20 30 FEEDHN C[C@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)N1CCC[C@@H](C)C1 ZINC000328682417 553806881 /nfs/dbraw/zinc/80/68/81/553806881.db2.gz DAERPMVMWWUKTG-ZJPYXAASSA-N 0 3 367.534 2.178 20 30 FEEDHN CS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2CCCN2CC2CCCCC2)C1 ZINC000328714648 553811170 /nfs/dbraw/zinc/81/11/70/553811170.db2.gz ODAFBSVORJLDMC-IAGOWNOFSA-N 0 3 371.547 2.064 20 30 FEEDHN Cc1csc([C@@H]2CN(C(=O)NCCN3CCC[C@H](C)C3)CCO2)n1 ZINC000328787360 553822274 /nfs/dbraw/zinc/82/22/74/553822274.db2.gz JLVCHHSBFDTYKE-ZFWWWQNUSA-N 0 3 352.504 2.471 20 30 FEEDHN COc1cccc(C(=O)NCC(=O)N2CCCN(CC3CCC3)CC2)c1 ZINC000328799074 553823906 /nfs/dbraw/zinc/82/39/06/553823906.db2.gz XJJJENOGCSLVCS-UHFFFAOYSA-N 0 3 359.470 2.334 20 30 FEEDHN C[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000328946282 553850994 /nfs/dbraw/zinc/85/09/94/553850994.db2.gz GNAGONPWUQLLSJ-LSDHHAIUSA-N 0 3 372.531 2.190 20 30 FEEDHN C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NCCN1CCC[C@H](C)C1 ZINC000328981361 553858133 /nfs/dbraw/zinc/85/81/33/553858133.db2.gz DOWWAEYGMFWVBR-QKLQHJQFSA-N 0 3 373.497 2.491 20 30 FEEDHN O=C(N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)C12CCCN1CCC2 ZINC000328989381 553859847 /nfs/dbraw/zinc/85/98/47/553859847.db2.gz HUUJTYAWQGJIKM-AEFFLSMTSA-N 0 3 354.454 2.471 20 30 FEEDHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC1CCN(C3CC3)CC1)C2=O ZINC000329004895 553862527 /nfs/dbraw/zinc/86/25/27/553862527.db2.gz YLTBKOIPMOQWMG-YJYMSZOUSA-N 0 3 362.474 2.275 20 30 FEEDHN CN1CCC2(CCCN2C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000329029473 553867942 /nfs/dbraw/zinc/86/79/42/553867942.db2.gz APYGNGLFDPGXEI-UHFFFAOYSA-N 0 3 354.458 2.242 20 30 FEEDHN CO[C@H]1C[C@@H](CN(C)CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)N(C)C1 ZINC000329044622 553870621 /nfs/dbraw/zinc/87/06/21/553870621.db2.gz UMBAVBGIXULXMO-YHUYYLMFSA-N 0 3 354.495 2.087 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000329141128 553888095 /nfs/dbraw/zinc/88/80/95/553888095.db2.gz KAENQPLPTQWIMK-SJORKVTESA-N 0 3 363.506 2.199 20 30 FEEDHN C[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1nnc2n1CCC2 ZINC000329147571 553889134 /nfs/dbraw/zinc/88/91/34/553889134.db2.gz AXLXWWJACDGNCE-HNNXBMFYSA-N 0 3 368.485 2.454 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC ZINC000329151077 553890124 /nfs/dbraw/zinc/89/01/24/553890124.db2.gz ZWXFWRIMIYHVRW-XMTFNYHQSA-N 0 3 353.507 2.291 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000329166587 553893409 /nfs/dbraw/zinc/89/34/09/553893409.db2.gz HXDXXTGYLMVDEL-ZBFHGGJFSA-N 0 3 354.454 2.397 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2CCOC3(CCC3)C2)C1 ZINC000329193072 553899248 /nfs/dbraw/zinc/89/92/48/553899248.db2.gz RHZXURUCRBTGJS-ULQDDVLXSA-N 0 3 351.491 2.187 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329212946 553903941 /nfs/dbraw/zinc/90/39/41/553903941.db2.gz IRDXATKENWDPGH-POAQFYNOSA-N 0 3 361.486 2.349 20 30 FEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC(c2nnc3ccccn32)CC1 ZINC000329286035 553917690 /nfs/dbraw/zinc/91/76/90/553917690.db2.gz GQMSTQBCASSJQT-OAHLLOKOSA-N 0 3 354.458 2.059 20 30 FEEDHN CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000329296672 553919652 /nfs/dbraw/zinc/91/96/52/553919652.db2.gz SZQAZYHOAGPSBI-SJORKVTESA-N 0 3 352.523 2.496 20 30 FEEDHN COc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1N1CCCC1=O ZINC000329471331 553952611 /nfs/dbraw/zinc/95/26/11/553952611.db2.gz ZLTQJORQQIUDFB-PBHICJAKSA-N 0 3 372.469 2.394 20 30 FEEDHN CC(C)(C)N1C[C@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1=O ZINC000329477278 553953641 /nfs/dbraw/zinc/95/36/41/553953641.db2.gz UKGGYQKOCKFZRB-QZTJIDSGSA-N 0 3 373.497 2.357 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3CCCCC3)C2)[C@@]12CCCO2 ZINC000329521282 553961531 /nfs/dbraw/zinc/96/15/31/553961531.db2.gz OUAGNULJMPKZEE-BMFAXAFESA-N 0 3 351.491 2.187 20 30 FEEDHN Cn1cc(NC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c(C2CC2)n1 ZINC000329601847 553974787 /nfs/dbraw/zinc/97/47/87/553974787.db2.gz FKLHKQPTXYCORB-UHFFFAOYSA-N 0 3 374.533 2.193 20 30 FEEDHN O=C(NC[C@@H]1CCCCS1(=O)=O)NC1CCN(CC2CCCC2)CC1 ZINC000329657781 553983590 /nfs/dbraw/zinc/98/35/90/553983590.db2.gz NIQNILAQKMLNAL-KRWDZBQOSA-N 0 3 371.547 2.112 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](C)N3CCC(C)CC3)C2)nn1 ZINC000329658862 553984124 /nfs/dbraw/zinc/98/41/24/553984124.db2.gz HKCJLBDUFDEMLG-ROUUACIJSA-N 0 3 374.533 2.378 20 30 FEEDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2(C)CCCCC2)CC1 ZINC000329746892 553998966 /nfs/dbraw/zinc/99/89/66/553998966.db2.gz SBGAWQIXRJDGLI-INIZCTEOSA-N 0 3 350.507 2.109 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329786188 554005375 /nfs/dbraw/zinc/00/53/75/554005375.db2.gz XPZUIPVZELQCBI-YCPHGPKFSA-N 0 3 359.518 2.482 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3cscn3)CC2)CCN1C ZINC000329799744 554008203 /nfs/dbraw/zinc/00/82/03/554008203.db2.gz HSRRNLKMXYGQII-CABCVRRESA-N 0 3 351.520 2.048 20 30 FEEDHN Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)CC2)nn1 ZINC000329804770 554009013 /nfs/dbraw/zinc/00/90/13/554009013.db2.gz MJBLXYHIVHSDBA-HZPDHXFCSA-N 0 3 360.506 2.082 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329825598 554012844 /nfs/dbraw/zinc/01/28/44/554012844.db2.gz IESYCSFMWHYUTE-ARFHVFGLSA-N 0 3 354.516 2.356 20 30 FEEDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329840077 554016376 /nfs/dbraw/zinc/01/63/76/554016376.db2.gz OANIXIRJEYBQJB-MSOLQXFVSA-N 0 3 353.470 2.435 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000329870708 554022553 /nfs/dbraw/zinc/02/25/53/554022553.db2.gz BWCOFCOOBWEYHD-CALCHBBNSA-N 0 3 364.534 2.293 20 30 FEEDHN CC(C)c1nnc([C@H]2CN(C(=O)N[C@H](C)CN3CCCCC3)CCO2)o1 ZINC000329921693 554032421 /nfs/dbraw/zinc/03/24/21/554032421.db2.gz STEFDBUMIQRFOU-HUUCEWRRSA-N 0 3 365.478 2.355 20 30 FEEDHN CCN1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C[C@@H]1c1ncc[nH]1 ZINC000329956037 554038559 /nfs/dbraw/zinc/03/85/59/554038559.db2.gz KZXPLBSAFHJCAR-GVDBMIGSSA-N 0 3 362.522 2.123 20 30 FEEDHN NC(=O)NC[C@@H]1CCCN(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000329983855 554043985 /nfs/dbraw/zinc/04/39/85/554043985.db2.gz PYJRAVUIJGXSNL-ZWKOTPCHSA-N 0 3 373.501 2.217 20 30 FEEDHN CN(C)c1ncn(-c2cccc(NC(=O)NC3CCN(C4CC4)CC3)c2)n1 ZINC000330015039 554049488 /nfs/dbraw/zinc/04/94/88/554049488.db2.gz NMFRBFYSHYRYFF-UHFFFAOYSA-N 0 3 369.473 2.286 20 30 FEEDHN COCCN1CCC(Nc2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000330033347 554052445 /nfs/dbraw/zinc/05/24/45/554052445.db2.gz AEFHVOLIGQRJAT-UHFFFAOYSA-N 0 3 367.497 3.007 20 30 FEEDHN CN(C)[C@]1(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)CCSC1 ZINC000330071160 554059173 /nfs/dbraw/zinc/05/91/73/554059173.db2.gz IRVBETVEHKGXHY-PBHICJAKSA-N 0 3 371.572 2.472 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000330170682 554077799 /nfs/dbraw/zinc/07/77/99/554077799.db2.gz BVCUPUFRKZVVTL-AWEZNQCLSA-N 0 3 361.442 2.188 20 30 FEEDHN O=C(CCNC(=O)[C@H]1CCCN1C1CC1)N1CCN(c2ccccc2)CC1 ZINC000330271705 554097072 /nfs/dbraw/zinc/09/70/72/554097072.db2.gz WIGGFXCHAHIYOM-LJQANCHMSA-N 0 3 370.497 2.309 20 30 FEEDHN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000330283049 554098967 /nfs/dbraw/zinc/09/89/67/554098967.db2.gz BBXXDGILAPQRKS-MXASKKJJSA-N 0 3 350.463 2.046 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000330324181 554105641 /nfs/dbraw/zinc/10/56/41/554105641.db2.gz IGEYYWCDNQHDNG-OTWHNJEPSA-N 0 3 359.518 2.405 20 30 FEEDHN Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)CN2CCC[C@H](C)C2)cnn1C ZINC000330327737 554105904 /nfs/dbraw/zinc/10/59/04/554105904.db2.gz LDNRHABMANBZBT-IHETXDGRSA-N 0 3 363.506 2.183 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000330333243 554106768 /nfs/dbraw/zinc/10/67/68/554106768.db2.gz PQHKAYZHJUBAQL-RYRKJORJSA-N 0 3 363.506 2.245 20 30 FEEDHN C[C@H](C#N)CN(C)S(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000330379116 554113427 /nfs/dbraw/zinc/11/34/27/554113427.db2.gz GMWKIDVAMSKTCN-CVEARBPZSA-N 0 3 364.515 2.138 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000330672451 554155360 /nfs/dbraw/zinc/15/53/60/554155360.db2.gz OBBLGOZODSJVAS-ZDUSSCGKSA-N 0 3 357.476 2.017 20 30 FEEDHN CCNC(=O)NC(=O)[C@H](C)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000330833243 554176635 /nfs/dbraw/zinc/17/66/35/554176635.db2.gz HMHDPNZLFUFOOX-APHBMKBZSA-N 0 3 351.422 2.416 20 30 FEEDHN C[C@H](C[S@](C)=O)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000330847732 554178846 /nfs/dbraw/zinc/17/88/46/554178846.db2.gz ORIIMCKPBHNZSO-FINWYRBZSA-N 0 3 351.516 2.168 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000330887888 554183553 /nfs/dbraw/zinc/18/35/53/554183553.db2.gz ABHXGBVEEZOHQQ-GVDBMIGSSA-N 0 3 352.523 2.257 20 30 FEEDHN C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000508810917 561773495 /nfs/dbraw/zinc/77/34/95/561773495.db2.gz QWOCISCFRIUCMX-KRWDZBQOSA-N 0 3 371.485 2.499 20 30 FEEDHN N#CCN1CCC(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000331479566 554271508 /nfs/dbraw/zinc/27/15/08/554271508.db2.gz TVPPWPKGHZJHBE-LJQANCHMSA-N 0 3 372.488 2.389 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1C(F)(F)F ZINC000332302078 554420763 /nfs/dbraw/zinc/42/07/63/554420763.db2.gz KWPYXYWMAGZOJY-LSDHHAIUSA-N 0 3 373.400 2.482 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)N2CCC(CN3CCN(C)CC3)CC2)c1 ZINC000332536408 554466597 /nfs/dbraw/zinc/46/65/97/554466597.db2.gz ITGRTVSFLILTNP-UHFFFAOYSA-N 0 3 355.486 2.358 20 30 FEEDHN C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1=CCN(C)CC1 ZINC000510803723 561847046 /nfs/dbraw/zinc/84/70/46/561847046.db2.gz LVSCBPYMVBYRAC-QGZVFWFLSA-N 0 3 368.481 2.480 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H](C)C3CCCCC3)CC2)o1 ZINC000333319346 554602219 /nfs/dbraw/zinc/60/22/19/554602219.db2.gz PDEQUEDTDCARNS-HNNXBMFYSA-N 0 3 373.501 2.404 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000361904450 554937761 /nfs/dbraw/zinc/93/77/61/554937761.db2.gz ACDFCIWXIAMFEG-SJORKVTESA-N 0 3 357.454 2.278 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H](N2CCCCC2=O)C1 ZINC000363501096 555121963 /nfs/dbraw/zinc/12/19/63/555121963.db2.gz ULQODMFTRQVUCR-KRWDZBQOSA-N 0 3 354.454 2.364 20 30 FEEDHN CS[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000363689816 555164800 /nfs/dbraw/zinc/16/48/00/555164800.db2.gz OQKIQYMRYJDMEP-MSOLQXFVSA-N 0 3 355.511 2.436 20 30 FEEDHN C=CCN=c1[nH]cc(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)s1 ZINC000363706123 555168424 /nfs/dbraw/zinc/16/84/24/555168424.db2.gz AAMRHWJSJKYIRG-MRXNPFEDSA-N 0 3 371.510 2.778 20 30 FEEDHN C=CCN(C(=O)NCc1ccnn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363826056 555194302 /nfs/dbraw/zinc/19/43/02/555194302.db2.gz QCXNTKYEGUCDOW-LJQANCHMSA-N 0 3 353.470 2.392 20 30 FEEDHN C=CCN(C(=O)N[C@H]1CCC(=O)N(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364277350 555283063 /nfs/dbraw/zinc/28/30/63/555283063.db2.gz AQXPTIYVBGYRPH-RBUKOAKNSA-N 0 3 370.497 2.079 20 30 FEEDHN C=CCN(C(=O)N[C@H](C)Cn1cncn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364294198 555286250 /nfs/dbraw/zinc/28/62/50/555286250.db2.gz TXTBQYWDCROSPY-IEBWSBKVSA-N 0 3 368.485 2.139 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000512450304 561905604 /nfs/dbraw/zinc/90/56/04/561905604.db2.gz QRHVDDUEIOMCFL-NHCUHLMSSA-N 0 3 368.525 2.386 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000512681393 561912077 /nfs/dbraw/zinc/91/20/77/561912077.db2.gz VRMCSPJKUSENAB-UHFFFAOYSA-N 0 3 363.465 2.286 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCCC2)cc1 ZINC000364823525 555408020 /nfs/dbraw/zinc/40/80/20/555408020.db2.gz VBWHYSUSRWQTHF-SFHVURJKSA-N 0 3 354.454 2.364 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000512745855 561914000 /nfs/dbraw/zinc/91/40/00/561914000.db2.gz XBDAJIPYKHBOPL-WBVHZDCISA-N 0 3 361.511 2.448 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@](CO)(c3ccccc3)C2)CC1 ZINC000365959486 555711682 /nfs/dbraw/zinc/71/16/82/555711682.db2.gz HOHAUNJLGSHMGD-NRFANRHFSA-N 0 3 357.498 2.373 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000365959309 555711741 /nfs/dbraw/zinc/71/17/41/555711741.db2.gz IQTDRAAYHNYREN-SUYBPPKGSA-N 0 3 363.408 2.456 20 30 FEEDHN CN(C)Cc1ccccc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000365987012 555718682 /nfs/dbraw/zinc/71/86/82/555718682.db2.gz QPFLZDCFJFYBLH-UHFFFAOYSA-N 0 3 363.465 2.414 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NC3(CO)Cc4ccccc4C3)C2=O)cc1 ZINC000366089223 555747936 /nfs/dbraw/zinc/74/79/36/555747936.db2.gz WFILXOCQGMBGAK-FQEVSTJZSA-N 0 3 361.445 2.173 20 30 FEEDHN N#Cc1cc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1F ZINC000513691000 561946829 /nfs/dbraw/zinc/94/68/29/561946829.db2.gz PPAIBUOHGNDCGM-FQEVSTJZSA-N 0 3 353.397 2.064 20 30 FEEDHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)c2ccccc2O1 ZINC000366185214 555774884 /nfs/dbraw/zinc/77/48/84/555774884.db2.gz ZLXPOQMPGOIZGV-HNNXBMFYSA-N 0 3 357.435 2.076 20 30 FEEDHN C#CC[C@H](NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000367030662 556000360 /nfs/dbraw/zinc/00/03/60/556000360.db2.gz ROFUTISSXOWLTR-JBACZVJFSA-N 0 3 368.525 2.418 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC2)cc1C ZINC000367460038 556056189 /nfs/dbraw/zinc/05/61/89/556056189.db2.gz XVYMPVMJASOSDG-RXVVDRJESA-N 0 3 368.481 2.197 20 30 FEEDHN Cn1cc([C@H]2[C@@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCCN2C)cn1 ZINC000367732386 556125756 /nfs/dbraw/zinc/12/57/56/556125756.db2.gz ZIBJGIBSKYDJEE-SJKOYZFVSA-N 0 3 369.429 2.277 20 30 FEEDHN Cn1ccc(N2CC[C@H](NCc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000367879229 556162978 /nfs/dbraw/zinc/16/29/78/556162978.db2.gz OKNNHJYPJKFDBL-SFHVURJKSA-N 0 3 361.453 2.061 20 30 FEEDHN C[C@@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000368732413 556400318 /nfs/dbraw/zinc/40/03/18/556400318.db2.gz JUGWEEDRPNDPDV-XHSDSOJGSA-N 0 3 355.486 2.617 20 30 FEEDHN Cc1c(C#N)c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nc2ccccc12 ZINC000515594470 562016299 /nfs/dbraw/zinc/01/62/99/562016299.db2.gz FOHZUNACYGRWQU-IBGZPJMESA-N 0 3 363.465 2.158 20 30 FEEDHN CN(Cc1ccc(F)cc1C#N)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369064191 556494327 /nfs/dbraw/zinc/49/43/27/556494327.db2.gz MDCBUBDOPFMCMF-UHFFFAOYSA-N 0 3 358.461 2.216 20 30 FEEDHN C=CCN1CC[C@@H](N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1=O ZINC000369204935 556535102 /nfs/dbraw/zinc/53/51/02/556535102.db2.gz QGHBEHWNIHCTPU-MRXNPFEDSA-N 0 3 363.502 2.496 20 30 FEEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369317003 556572807 /nfs/dbraw/zinc/57/28/07/556572807.db2.gz IHRMWIYXYBGDSM-OAHLLOKOSA-N 0 3 352.438 2.307 20 30 FEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000369543847 556627294 /nfs/dbraw/zinc/62/72/94/556627294.db2.gz NESBKXLETPQZOP-MRXNPFEDSA-N 0 3 357.454 2.039 20 30 FEEDHN C#CCCN1CCC(NC(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000369592656 556640986 /nfs/dbraw/zinc/64/09/86/556640986.db2.gz QSAYKWUYLUMFHR-UHFFFAOYSA-N 0 3 357.479 2.338 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000369756202 556686152 /nfs/dbraw/zinc/68/61/52/556686152.db2.gz DKJOKEJSWSBEOJ-HXUWFJFHSA-N 0 3 367.493 2.090 20 30 FEEDHN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000369767022 556689103 /nfs/dbraw/zinc/68/91/03/556689103.db2.gz PKJUHFNXMRDZKC-YLJYHZDGSA-N 0 3 351.498 2.269 20 30 FEEDHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000369953070 556740013 /nfs/dbraw/zinc/74/00/13/556740013.db2.gz WCZJXGSZZDFPST-NRFANRHFSA-N 0 3 362.477 2.381 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370521886 556898723 /nfs/dbraw/zinc/89/87/23/556898723.db2.gz IWOXKVPUPOLJMA-YJBOKZPZSA-N 0 3 350.422 2.377 20 30 FEEDHN N#Cc1cccc(CNC(=O)CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000516908714 562063985 /nfs/dbraw/zinc/06/39/85/562063985.db2.gz QJYWIDUSTNEWDZ-MOPGFXCFSA-N 0 3 353.466 2.456 20 30 FEEDHN N#CCc1ccc(OC[C@@H](O)CNCCOc2ccc(C#N)cc2)cc1 ZINC000517924823 562100735 /nfs/dbraw/zinc/10/07/35/562100735.db2.gz AFDCGAGJDVNDQR-SFHVURJKSA-N 0 3 351.406 2.033 20 30 FEEDHN C=CCN(CC)C(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000371713956 557271985 /nfs/dbraw/zinc/27/19/85/557271985.db2.gz QNBOMOWMDSCWDZ-UHFFFAOYSA-N 0 3 358.486 2.190 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)CC1 ZINC000371937463 557333790 /nfs/dbraw/zinc/33/37/90/557333790.db2.gz LLUYELRHUQGFSM-ZHALLVOQSA-N 0 3 351.491 2.053 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000372016932 557357444 /nfs/dbraw/zinc/35/74/44/557357444.db2.gz JKIBPMAKFZLCHW-MRXNPFEDSA-N 0 3 371.462 2.385 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@H]2C(=N)NO)c1C ZINC000372311067 557436505 /nfs/dbraw/zinc/43/65/05/557436505.db2.gz XUMLVRHJSCCRMG-KRWDZBQOSA-N 0 3 357.458 2.361 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000519301580 562128891 /nfs/dbraw/zinc/12/88/91/562128891.db2.gz LVPZOUBCQFHIJD-UHFFFAOYSA-N 0 3 360.458 2.103 20 30 FEEDHN C=CCN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372597807 557516032 /nfs/dbraw/zinc/51/60/32/557516032.db2.gz BZSYVBXTUGMSPD-RTBURBONSA-N 0 3 355.482 2.144 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)N2CCCN([C@@H](C)CO)CC2)cc1C#N ZINC000372721612 557546908 /nfs/dbraw/zinc/54/69/08/557546908.db2.gz XYHJEXSDUSNNCG-HNNXBMFYSA-N 0 3 360.458 2.266 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000520189672 562150126 /nfs/dbraw/zinc/15/01/26/562150126.db2.gz NXRLVWRLBDWRJI-IBGZPJMESA-N 0 3 368.462 2.077 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373322335 557672168 /nfs/dbraw/zinc/67/21/68/557672168.db2.gz VBIKOVXZAVZMOD-UKBAYJJMSA-N 0 3 350.503 2.315 20 30 FEEDHN COCCCOc1cccc(CN2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000373464301 557698830 /nfs/dbraw/zinc/69/88/30/557698830.db2.gz DRTRUVQLKXYEQR-UHFFFAOYSA-N 0 3 355.442 2.402 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccccc2CC#N)CC1=O ZINC000520426322 562156236 /nfs/dbraw/zinc/15/62/36/562156236.db2.gz FBUFFUUZSMWLNE-IRXDYDNUSA-N 0 3 354.454 2.024 20 30 FEEDHN C=CCN(C[C@H](O)CO[C@H](C)COC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373910588 557785028 /nfs/dbraw/zinc/78/50/28/557785028.db2.gz ZYUMZEGANJVHJY-NRSPTQNISA-N 0 3 362.514 2.161 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)CC1 ZINC000373948182 557793886 /nfs/dbraw/zinc/79/38/86/557793886.db2.gz AGUAEWNYBGDIAE-VQIMIIECSA-N 0 3 370.497 2.126 20 30 FEEDHN C=CCN(C(=O)[C@@H](OC)c1cnn(C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373987029 557801516 /nfs/dbraw/zinc/80/15/16/557801516.db2.gz WKAQBLPXRMZBJZ-UXHICEINSA-N 0 3 368.481 2.397 20 30 FEEDHN C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN1C1CCN(C)CC1 ZINC000374252794 557851450 /nfs/dbraw/zinc/85/14/50/557851450.db2.gz AAWANNSWRKCMTM-KRWDZBQOSA-N 0 3 354.498 2.118 20 30 FEEDHN C[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000374322464 557865349 /nfs/dbraw/zinc/86/53/49/557865349.db2.gz DIEQMWISYKVKQX-QFBILLFUSA-N 0 3 372.538 2.135 20 30 FEEDHN CN(C)Cc1cccc(C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374379521 557875300 /nfs/dbraw/zinc/87/53/00/557875300.db2.gz HEVQRPNLNQMFCI-VGOFRKELSA-N 0 3 374.444 2.234 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CCCC2(C#N)CCOCC2)O1 ZINC000374558630 557899796 /nfs/dbraw/zinc/89/97/96/557899796.db2.gz ALJCHRJERMCZSR-HZMVEIRTSA-N 0 3 350.459 2.270 20 30 FEEDHN CN1CCN(C2CCN(Cc3ccccc3C(C)(C)C#N)CC2)C(=O)C1 ZINC000374726591 557921878 /nfs/dbraw/zinc/92/18/78/557921878.db2.gz PJDBADVKSXSSTO-UHFFFAOYSA-N 0 3 354.498 2.226 20 30 FEEDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000374794075 557932343 /nfs/dbraw/zinc/93/23/43/557932343.db2.gz NOGYVDNOZWDALA-XVLXNVKGSA-N 0 3 366.465 2.442 20 30 FEEDHN CN1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000375070834 557973618 /nfs/dbraw/zinc/97/36/18/557973618.db2.gz JZPOWZVPUNXWKC-UXHICEINSA-N 0 3 369.490 2.367 20 30 FEEDHN CN1C(=O)C[C@H](NC[C@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000375429883 558025795 /nfs/dbraw/zinc/02/57/95/558025795.db2.gz TURZHSYSGGVCCZ-CMKODMSKSA-N 0 3 353.397 2.292 20 30 FEEDHN CN1C(=O)C[C@H](NC[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000375429885 558025845 /nfs/dbraw/zinc/02/58/45/558025845.db2.gz TURZHSYSGGVCCZ-NSHGMRRFSA-N 0 3 353.397 2.292 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000375891360 558094563 /nfs/dbraw/zinc/09/45/63/558094563.db2.gz QMESIMOJQCCGDE-LJQANCHMSA-N 0 3 372.513 2.046 20 30 FEEDHN Cc1nnc([C@H]2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574540 562179130 /nfs/dbraw/zinc/17/91/30/562179130.db2.gz NBQWXYJUZWOQPG-HOCLYGCPSA-N 0 3 352.442 2.238 20 30 FEEDHN C=CC[C@H](C(=O)N1CCN(CCN2CCCOCC2)CC1)c1ccccc1 ZINC000376102461 558127570 /nfs/dbraw/zinc/12/75/70/558127570.db2.gz LBVRNNHOBRRTDT-NRFANRHFSA-N 0 3 371.525 2.213 20 30 FEEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C1(S(C)(=O)=O)CC1 ZINC000376117080 558129034 /nfs/dbraw/zinc/12/90/34/558129034.db2.gz OLPLSUMGXWLYDF-OAHLLOKOSA-N 0 3 361.511 2.078 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)[N-]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000376244229 558146898 /nfs/dbraw/zinc/14/68/98/558146898.db2.gz SWJUFUNFHUMMPC-UHFFFAOYSA-N 0 3 351.472 2.474 20 30 FEEDHN C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000376318755 558157182 /nfs/dbraw/zinc/15/71/82/558157182.db2.gz BERRJIZSPOIIHS-HOCLYGCPSA-N 0 3 359.451 2.340 20 30 FEEDHN C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000376318755 558157184 /nfs/dbraw/zinc/15/71/84/558157184.db2.gz BERRJIZSPOIIHS-HOCLYGCPSA-N 0 3 359.451 2.340 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000376361859 558163151 /nfs/dbraw/zinc/16/31/51/558163151.db2.gz ZTBKGQHHJSEAJH-DOMZBBRYSA-N 0 3 353.875 2.459 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](C3CC3)C2)cc1 ZINC000376588848 558194689 /nfs/dbraw/zinc/19/46/89/558194689.db2.gz OORLDIGGYDDXPM-LRDDRELGSA-N 0 3 363.439 2.015 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000522085727 562191265 /nfs/dbraw/zinc/19/12/65/562191265.db2.gz XMTYRAXTDOYYPP-UHFFFAOYSA-N 0 3 373.501 2.495 20 30 FEEDHN C#CC[C@H](NC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO)c1ccccc1 ZINC000378277437 558517697 /nfs/dbraw/zinc/51/76/97/558517697.db2.gz MMEVLYMBGORCDK-AABGKKOBSA-N 0 3 355.482 2.382 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000378308720 558525829 /nfs/dbraw/zinc/52/58/29/558525829.db2.gz NRHKXJYWYDPFEN-APWZRJJASA-N 0 3 355.486 2.242 20 30 FEEDHN CCc1nc(C#N)cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)n1 ZINC000404181508 558631584 /nfs/dbraw/zinc/63/15/84/558631584.db2.gz JKULFTSNIDOYRU-RTBURBONSA-N 0 3 363.465 2.390 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CCN(C)[C@H](C)C3)C2)n1 ZINC000408288361 558664420 /nfs/dbraw/zinc/66/44/20/558664420.db2.gz XKIJDSMFHFQQST-BPQIPLTHSA-N 0 3 355.486 2.077 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000409716506 558715875 /nfs/dbraw/zinc/71/58/75/558715875.db2.gz LPCJZIWNGMUGJR-SFHVURJKSA-N 0 3 361.511 2.000 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]([C@H](C)CC)C(F)(F)F)CC1 ZINC000411229123 558856703 /nfs/dbraw/zinc/85/67/03/558856703.db2.gz PVLQWBBSWSPHKV-TZMCWYRMSA-N 0 3 363.424 2.236 20 30 FEEDHN Cc1cc(NC(=O)C(=O)NCCc2cccc(C#N)c2)ccc1CN(C)C ZINC000411494715 558905071 /nfs/dbraw/zinc/90/50/71/558905071.db2.gz UJLAPLCSEFVJBH-UHFFFAOYSA-N 0 3 364.449 2.226 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000413836882 559133846 /nfs/dbraw/zinc/13/38/46/559133846.db2.gz PYPRYAGMRMZXSS-AZUAARDMSA-N 0 3 358.530 2.499 20 30 FEEDHN CCS(=O)(=O)CCCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000414538380 559170652 /nfs/dbraw/zinc/17/06/52/559170652.db2.gz BNBFQSYAMIPIAI-UHFFFAOYSA-N 0 3 360.483 2.378 20 30 FEEDHN N#Cc1cccc(COc2cccc(CN3CC[C@H](O)[C@H](CO)C3)c2)c1 ZINC000414556052 559171363 /nfs/dbraw/zinc/17/13/63/559171363.db2.gz JEEHUHOXRHIIMR-FPOVZHCZSA-N 0 3 352.434 2.312 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@@H]2CNCCO2)cc1OC ZINC000415093035 559204858 /nfs/dbraw/zinc/20/48/58/559204858.db2.gz HHZGJRYVRFBHFD-ZDUSSCGKSA-N 0 3 371.275 2.101 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)cc1C#N ZINC000415432325 559235989 /nfs/dbraw/zinc/23/59/89/559235989.db2.gz VSXQUSFYPOKIHL-KRWDZBQOSA-N 0 3 372.469 2.308 20 30 FEEDHN N#Cc1cc(NC(=O)NC[C@@H]2CNCCO2)ccc1Oc1ccccc1 ZINC000415535555 559247526 /nfs/dbraw/zinc/24/75/26/559247526.db2.gz LUNLXOXTQOUJSA-KRWDZBQOSA-N 0 3 352.394 2.460 20 30 FEEDHN CNCc1cccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000415935103 559283274 /nfs/dbraw/zinc/28/32/74/559283274.db2.gz SOQXXQARIOXDGI-QGZVFWFLSA-N 0 3 351.410 2.358 20 30 FEEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000416462541 559314824 /nfs/dbraw/zinc/31/48/24/559314824.db2.gz QZNUMWYHOWPPGF-SFHVURJKSA-N 0 3 365.433 2.315 20 30 FEEDHN COc1ccc(S(=O)(=O)N2CCC(NCC3(C#N)CCC3)CC2)cc1 ZINC000418145736 559391748 /nfs/dbraw/zinc/39/17/48/559391748.db2.gz YTOZAGOIQVNFNT-UHFFFAOYSA-N 0 3 363.483 2.132 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CN)c1ccc(F)c(F)c1 ZINC000419674667 559453223 /nfs/dbraw/zinc/45/32/23/559453223.db2.gz JILNVKHGCPCIQY-CJNGLKHVSA-N 0 3 351.397 2.038 20 30 FEEDHN COC1([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)CCOCC1 ZINC000421030903 559520726 /nfs/dbraw/zinc/52/07/26/559520726.db2.gz JWUUHJDNVGDKFJ-GFCCVEGCSA-N 0 3 351.834 2.324 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c(C#N)cn1CC ZINC000421179335 559529250 /nfs/dbraw/zinc/52/92/50/559529250.db2.gz ZTNIZCXDALJDSP-JSGCOSHPSA-N 0 3 361.446 2.161 20 30 FEEDHN Cc1ccccc1CN1CCC(NC(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000421398576 559541151 /nfs/dbraw/zinc/54/11/51/559541151.db2.gz GMLPZPVAVGKYGQ-UHFFFAOYSA-N 0 3 370.497 2.132 20 30 FEEDHN C=CCN1CCC(NC(=O)c2nnn(Cc3ccccc3)c2CC)CC1 ZINC000421766585 559552446 /nfs/dbraw/zinc/55/24/46/559552446.db2.gz GEIHQKSLXNAMOR-UHFFFAOYSA-N 0 3 353.470 2.269 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000422310113 559577591 /nfs/dbraw/zinc/57/75/91/559577591.db2.gz VMGRELVLBMNRKN-RBUKOAKNSA-N 0 3 357.498 2.281 20 30 FEEDHN COC(=O)[C@@H](CNC(=O)[C@H](N)CCCC#N)Cc1cccc2ccccc21 ZINC000424122314 559655539 /nfs/dbraw/zinc/65/55/39/559655539.db2.gz JCXHGUFYVFFRDX-IEBWSBKVSA-N 0 3 367.449 2.309 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000424141936 559655924 /nfs/dbraw/zinc/65/59/24/559655924.db2.gz UMLOQNUFLZIUPU-ZDUSSCGKSA-N 0 3 359.455 2.093 20 30 FEEDHN COc1ccc([C@H](CNC(=O)[C@@H](N)CCCC#N)N2CCCCC2)cc1 ZINC000424144374 559656081 /nfs/dbraw/zinc/65/60/81/559656081.db2.gz XJRKGJSRVGYNOD-OALUTQOASA-N 0 3 358.486 2.360 20 30 FEEDHN COc1cc(N[C@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)cc(OC)c1 ZINC000424165104 559656575 /nfs/dbraw/zinc/65/65/75/559656575.db2.gz DJQVGUYJOWANPO-KBXCAEBGSA-N 0 3 360.458 2.128 20 30 FEEDHN C=CCn1cc(CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)nn1 ZINC000424420100 559663834 /nfs/dbraw/zinc/66/38/34/559663834.db2.gz UMJGBHYTQZELKT-UHFFFAOYSA-N 0 3 354.336 2.263 20 30 FEEDHN Cc1cc(CN)cc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000424448439 559665462 /nfs/dbraw/zinc/66/54/62/559665462.db2.gz XWWMSYAHASJEMT-UHFFFAOYSA-N 0 3 350.426 2.075 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000425384996 559699303 /nfs/dbraw/zinc/69/93/03/559699303.db2.gz MWOWPWGOTDZSKV-LPHOPBHVSA-N 0 3 368.481 2.164 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000425521797 559707568 /nfs/dbraw/zinc/70/75/68/559707568.db2.gz KZEQSXBXHGDXKM-ZCNNSNEGSA-N 0 3 373.497 2.168 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)c2ncc(C#N)cc2Cl)c1 ZINC000427915160 559765098 /nfs/dbraw/zinc/76/50/98/559765098.db2.gz SODSUOYIILKOSS-UHFFFAOYSA-N 0 3 358.829 2.477 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000431845385 559847243 /nfs/dbraw/zinc/84/72/43/559847243.db2.gz ODHKOBMFAHTABR-SFHVURJKSA-N 0 3 364.449 2.094 20 30 FEEDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433321258 559876831 /nfs/dbraw/zinc/87/68/31/559876831.db2.gz XFBAWYYBASVOOY-NZSAHSFTSA-N 0 3 371.481 2.149 20 30 FEEDHN N#CCCn1cc(CNCc2ccc(C(N)=O)cc2)c(-c2ccncc2)n1 ZINC000433337437 559877345 /nfs/dbraw/zinc/87/73/45/559877345.db2.gz YXXHUXJLQKMSMB-UHFFFAOYSA-N 0 3 360.421 2.247 20 30 FEEDHN N#CCCn1cc(CN2CCCC[C@@H]2CC(N)=O)c(-c2ccncc2)n1 ZINC000435132564 559916979 /nfs/dbraw/zinc/91/69/79/559916979.db2.gz KGBICHVRHOWCEX-QGZVFWFLSA-N 0 3 352.442 2.089 20 30 FEEDHN Cc1cc(F)cc2c1ncc(C#N)c2NCCN1CCN(C)C(C)(C)C1 ZINC000440668821 560015863 /nfs/dbraw/zinc/01/58/63/560015863.db2.gz RXCXIEVLBIRION-UHFFFAOYSA-N 0 3 355.461 2.414 20 30 FEEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CNC1(CCO)CCCCC1 ZINC000440904548 560019339 /nfs/dbraw/zinc/01/93/39/560019339.db2.gz NISFQYZDXGLSTE-UHFFFAOYSA-N 0 3 367.453 2.357 20 30 FEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446386978 560145343 /nfs/dbraw/zinc/14/53/43/560145343.db2.gz UPRMPQSUJSFQJT-GQIGUUNPSA-N 0 3 372.469 2.465 20 30 FEEDHN CN1C2(CCC2)COC[C@@]1(CO)CNCc1cccc(OCCCC#N)c1 ZINC000527754976 562302623 /nfs/dbraw/zinc/30/26/23/562302623.db2.gz QXJKLODVALHLEY-NRFANRHFSA-N 0 3 373.497 2.075 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000448687165 560194333 /nfs/dbraw/zinc/19/43/33/560194333.db2.gz QASUHJSVIHQKJZ-UHFFFAOYSA-N 0 3 365.481 2.133 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)c3cc(C#N)[nH]c3C)cc2)CC1 ZINC000448709037 560195508 /nfs/dbraw/zinc/19/55/08/560195508.db2.gz POGRRQDJIJQWKM-UHFFFAOYSA-N 0 3 365.481 2.262 20 30 FEEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn2c1OCCC2 ZINC000448725980 560196707 /nfs/dbraw/zinc/19/67/07/560196707.db2.gz OONAWXWTHKGBCM-UHFFFAOYSA-N 0 3 367.453 2.050 20 30 FEEDHN CCn1ccnc(N2CCC(NCc3ccc(C#N)c(F)c3)CC2)c1=O ZINC000449737601 560238524 /nfs/dbraw/zinc/23/85/24/560238524.db2.gz STKLQHHDKOAJIR-UHFFFAOYSA-N 0 3 355.417 2.033 20 30 FEEDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000450133942 560251719 /nfs/dbraw/zinc/25/17/19/560251719.db2.gz NGWWTHAVGGMOJQ-AWEZNQCLSA-N 0 3 374.828 2.160 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000450772317 560272890 /nfs/dbraw/zinc/27/28/90/560272890.db2.gz KWKDGJPNQIZGGQ-GOSISDBHSA-N 0 3 355.486 2.032 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000451703135 560323359 /nfs/dbraw/zinc/32/33/59/560323359.db2.gz DOCRMHOTMOEOHG-RTBURBONSA-N 0 3 356.514 2.448 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000452120550 560352442 /nfs/dbraw/zinc/35/24/42/560352442.db2.gz RRDIUZCOXDIVAO-INIZCTEOSA-N 0 3 362.440 2.389 20 30 FEEDHN C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453433048 560386582 /nfs/dbraw/zinc/38/65/82/560386582.db2.gz FWDGZEIIOXSTKE-HNNXBMFYSA-N 0 3 369.473 2.030 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)N(C)C ZINC000453572078 560389194 /nfs/dbraw/zinc/38/91/94/560389194.db2.gz NKBLLXCKIDIKAK-CQSZACIVSA-N 0 3 364.877 2.437 20 30 FEEDHN CCN1CCC(NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000453584111 560389729 /nfs/dbraw/zinc/38/97/29/560389729.db2.gz OOEQVDOHSVNTDA-UHFFFAOYSA-N 0 3 372.469 2.275 20 30 FEEDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453622023 560391687 /nfs/dbraw/zinc/39/16/87/560391687.db2.gz APDQJUYBXPQJGT-GFCCVEGCSA-N 0 3 350.850 2.191 20 30 FEEDHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@@H]1N(C)C ZINC000453672762 560395457 /nfs/dbraw/zinc/39/54/57/560395457.db2.gz LMYKFYILRXWNTO-BBRMVZONSA-N 0 3 372.469 2.083 20 30 FEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000453804557 560405156 /nfs/dbraw/zinc/40/51/56/560405156.db2.gz IIRYAXXVPPHASI-SFHVURJKSA-N 0 3 368.481 2.074 20 30 FEEDHN CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCN2CCCC2(C)C)cc1 ZINC000454065696 560426118 /nfs/dbraw/zinc/42/61/18/560426118.db2.gz GFRXBRNANOYFHH-UHFFFAOYSA-N 0 3 356.470 2.417 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455550396 560486638 /nfs/dbraw/zinc/48/66/38/560486638.db2.gz VZCAOTSFMZRORK-CQSZACIVSA-N 0 3 360.433 2.092 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2ncnn2c1 ZINC000455877710 560498844 /nfs/dbraw/zinc/49/88/44/560498844.db2.gz OUYQJNJSYKBMRP-UHFFFAOYSA-N 0 3 363.425 2.197 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455973033 560502852 /nfs/dbraw/zinc/50/28/52/560502852.db2.gz PCKOCMIUVANERK-LJQANCHMSA-N 0 3 357.498 2.336 20 30 FEEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000456698999 560529568 /nfs/dbraw/zinc/52/95/68/560529568.db2.gz SBUBHTBOXQABBB-UHFFFAOYSA-N 0 3 357.502 2.724 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000456746504 560531740 /nfs/dbraw/zinc/53/17/40/560531740.db2.gz DNAROKJWSRKDOG-UXHICEINSA-N 0 3 361.445 2.329 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@@H]3CCN(C(C)C)C3)C2)n1 ZINC000457142191 560552646 /nfs/dbraw/zinc/55/26/46/560552646.db2.gz ZVUBFVAGNWEAEQ-RTBURBONSA-N 0 3 369.513 2.419 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CCN(C(C)C)C3)C2)n1 ZINC000457142189 560552802 /nfs/dbraw/zinc/55/28/02/560552802.db2.gz ZVUBFVAGNWEAEQ-RBUKOAKNSA-N 0 3 369.513 2.419 20 30 FEEDHN C=CCC[C@@H](CO)NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000457488160 560570150 /nfs/dbraw/zinc/57/01/50/560570150.db2.gz QGFGAUPIEUREGJ-PKOBYXMFSA-N 0 3 361.486 2.458 20 30 FEEDHN C=CCC[C@H](CO)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000458363091 560617145 /nfs/dbraw/zinc/61/71/45/560617145.db2.gz KFKKPADQYYQSPQ-QGZVFWFLSA-N 0 3 367.534 2.426 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000459038707 560663072 /nfs/dbraw/zinc/66/30/72/560663072.db2.gz WKTHGXJDNXGDMP-NMLBUPMWSA-N 0 3 355.482 2.493 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000460055352 560731983 /nfs/dbraw/zinc/73/19/83/560731983.db2.gz HXEDTQBEWMEVQI-UHFFFAOYSA-N 0 3 367.440 2.280 20 30 FEEDHN C=C(C)Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000460369478 560742522 /nfs/dbraw/zinc/74/25/22/560742522.db2.gz JGVFGRDRAUVECV-INIZCTEOSA-N 0 3 363.506 2.080 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N(C)CCN(C(C)C)C(C)C ZINC000464219188 560836530 /nfs/dbraw/zinc/83/65/30/560836530.db2.gz VTRDBIDJQGIUCL-UHFFFAOYSA-N 0 3 353.488 2.306 20 30 FEEDHN N#Cc1ccc([C@@H](NCCCc2ccc3c(c2)OCCO3)C(N)=O)cc1 ZINC000467414976 560909804 /nfs/dbraw/zinc/90/98/04/560909804.db2.gz XLOGEWKRBILPBQ-LJQANCHMSA-N 0 3 351.406 2.078 20 30 FEEDHN N#Cc1cccc(CCNC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000467779045 560917151 /nfs/dbraw/zinc/91/71/51/560917151.db2.gz ZXZNEOZCLUOKBH-UHFFFAOYSA-N 0 3 362.477 2.429 20 30 FEEDHN CCN1CCN(CCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CC1 ZINC000468765926 560938130 /nfs/dbraw/zinc/93/81/30/560938130.db2.gz AYNLDFGJURUWCS-INIZCTEOSA-N 0 3 368.403 2.414 20 30 FEEDHN CN(CCOc1cccc(C#N)c1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470823337 560990813 /nfs/dbraw/zinc/99/08/13/560990813.db2.gz WSEIIPQXOSUSTI-ROUUACIJSA-N 0 3 369.444 2.271 20 30 FEEDHN CC(=O)NC1CCC(N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471103955 560998311 /nfs/dbraw/zinc/99/83/11/560998311.db2.gz LUPDGNPWDYQRKD-LMDPOFIKSA-N 0 3 352.438 2.146 20 30 FEEDHN CN(C)CCOCCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000471653984 561009759 /nfs/dbraw/zinc/00/97/59/561009759.db2.gz CCBTXPJTPONIOJ-UHFFFAOYSA-N 0 3 374.485 2.126 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCCC2(CCOCC2)C1 ZINC000528388124 562326404 /nfs/dbraw/zinc/32/64/04/562326404.db2.gz IYSDJHQWDWTSJG-UHFFFAOYSA-N 0 3 352.434 2.179 20 30 FEEDHN Cn1cc([C@@H]2CN(C[C@H](O)COc3ccccc3C#N)CC2(C)C)cn1 ZINC000528513685 562333381 /nfs/dbraw/zinc/33/33/81/562333381.db2.gz FJMBTOLGZPESMH-ROUUACIJSA-N 0 3 354.454 2.157 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1)C(C)C ZINC000534376533 562532926 /nfs/dbraw/zinc/53/29/26/562532926.db2.gz GPSWTCMXGPHFSM-OALUTQOASA-N 0 3 364.534 2.195 20 30 FEEDHN C[C@H]1CCN(C)CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000535079288 562550615 /nfs/dbraw/zinc/55/06/15/562550615.db2.gz LMWSFZPRUMCDLE-ZLPCBKJTSA-N 0 3 371.485 2.379 20 30 FEEDHN COc1ccc2c(c1)CCN(C[C@@H](O)COc1ccc(C#N)cc1)CC2 ZINC000535549843 562560945 /nfs/dbraw/zinc/56/09/45/562560945.db2.gz MUNPHWLTPGXJLG-LJQANCHMSA-N 0 3 352.434 2.407 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000602538662 567992616 /nfs/dbraw/zinc/99/26/16/567992616.db2.gz HCTNQJIWNLIOAT-HNNXBMFYSA-N 0 3 365.499 2.271 20 30 FEEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000603842987 568155440 /nfs/dbraw/zinc/15/54/40/568155440.db2.gz VWYHPYQKLQWPHT-ZWKOTPCHSA-N 0 3 352.438 2.162 20 30 FEEDHN C=CCc1cc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc(OC)c1OC ZINC000604185439 568222558 /nfs/dbraw/zinc/22/25/58/568222558.db2.gz NGCFTEKQZMXZJJ-INIZCTEOSA-N 0 3 359.470 2.468 20 30 FEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCNS(=O)(=O)Cc1ccon1 ZINC000569301572 568346319 /nfs/dbraw/zinc/34/63/19/568346319.db2.gz LOFRRADWQIWPJT-GOSISDBHSA-N 0 3 374.466 2.023 20 30 FEEDHN CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821181705 607322514 /nfs/dbraw/zinc/32/25/14/607322514.db2.gz OTITWSINUCPLKU-OAHLLOKOSA-N 0 3 355.442 2.076 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cc(Br)cc(OC)c2)CC1 ZINC000830426063 677038785 /nfs/dbraw/zinc/03/87/85/677038785.db2.gz FFYTUIDFWAUYGB-UHFFFAOYSA-N 0 3 365.271 2.419 20 30 FEEDHN CC(C)N1CCN(C2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)CC1 ZINC000833499350 604938906 /nfs/dbraw/zinc/93/89/06/604938906.db2.gz NUTFPCBEFBSGAO-HXUWFJFHSA-N 0 3 370.497 2.174 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)cc1 ZINC000810534549 674549228 /nfs/dbraw/zinc/54/92/28/674549228.db2.gz WAOSVPNUDXOULP-ZFWWWQNUSA-N 0 3 359.451 2.179 20 30 FEEDHN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000826176449 608468942 /nfs/dbraw/zinc/46/89/42/608468942.db2.gz QBCCIMOABVTQRM-ZDUSSCGKSA-N 0 3 364.409 2.477 20 30 FEEDHN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000826176546 608492816 /nfs/dbraw/zinc/49/28/16/608492816.db2.gz UFDLTGWTLNDWOK-CYBMUJFWSA-N 0 3 364.409 2.477 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000573528610 671133439 /nfs/dbraw/zinc/13/34/39/671133439.db2.gz DEJIWLMTXPVVDH-APHBMKBZSA-N 0 3 364.877 2.075 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CSc3ccccc32)nc1 ZINC000566120958 675183611 /nfs/dbraw/zinc/18/36/11/675183611.db2.gz ZZMGDFYSFQYBDU-AWEZNQCLSA-N 0 3 359.476 2.206 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000818101849 675196274 /nfs/dbraw/zinc/19/62/74/675196274.db2.gz XGPALQNEYBNTGJ-CABCVRRESA-N 0 3 366.259 2.370 20 30 FEEDHN CC(C)c1noc(CCCNCCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000576816272 671396737 /nfs/dbraw/zinc/39/67/37/671396737.db2.gz UALAZNOMTIQSBA-UHFFFAOYSA-N 0 3 362.455 2.061 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N(CCN2CCCCCC2)C2CCC2)cn1 ZINC000578152772 671644985 /nfs/dbraw/zinc/64/49/85/671644985.db2.gz CHZFYQVQQHXWCH-UHFFFAOYSA-N 0 3 362.499 2.372 20 30 FEEDHN N#CCCC[C@H](N)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000578502065 671669870 /nfs/dbraw/zinc/66/98/70/671669870.db2.gz FWOPUDLSGNWMKA-NSHDSACASA-N 0 3 363.771 2.303 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(Cc3ccccc3)CC2)nc1 ZINC000579701506 671754267 /nfs/dbraw/zinc/75/42/67/671754267.db2.gz ICQAKYSEBKQDRI-UHFFFAOYSA-N 0 3 355.463 2.339 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](CO)CC2CCCCC2)cc1 ZINC000582725974 672029004 /nfs/dbraw/zinc/02/90/04/672029004.db2.gz IKHOQZZKXSOREV-QGZVFWFLSA-N 0 3 350.484 2.253 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000582804194 672035489 /nfs/dbraw/zinc/03/54/89/672035489.db2.gz LSFHTZYOBSGCML-UHFFFAOYSA-N 0 3 367.559 2.279 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000131404059 672087709 /nfs/dbraw/zinc/08/77/09/672087709.db2.gz RSSTXRVOLDPSGO-OAHLLOKOSA-N 0 3 352.479 2.128 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@H](O)COCC1CC1 ZINC000131576813 672089643 /nfs/dbraw/zinc/08/96/43/672089643.db2.gz MAJLNBYVEURBES-INIZCTEOSA-N 0 3 368.271 2.338 20 30 FEEDHN CCCN(CC)CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000583398603 672091079 /nfs/dbraw/zinc/09/10/79/672091079.db2.gz BNSJCVDNMYDPDD-UHFFFAOYSA-N 0 3 374.304 2.331 20 30 FEEDHN N#Cc1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c(OC(F)F)c1 ZINC000610613781 675984309 /nfs/dbraw/zinc/98/43/09/675984309.db2.gz MAEQDXZZSGGVKR-HOTGVXAUSA-N 0 3 351.397 2.191 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000171714748 672335101 /nfs/dbraw/zinc/33/51/01/672335101.db2.gz RPHLNKGKIHAEBO-UHFFFAOYSA-N 0 3 354.495 2.193 20 30 FEEDHN CC(C)CS(=O)(=O)N1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000589821371 672542489 /nfs/dbraw/zinc/54/24/89/672542489.db2.gz RABVHAMTDILJFW-UHFFFAOYSA-N 0 3 353.463 2.237 20 30 FEEDHN CN1C[C@H]2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)[C@@H]2C1 ZINC000590012740 672554636 /nfs/dbraw/zinc/55/46/36/672554636.db2.gz XDOBZISKBHEFMJ-CZUORRHYSA-N 0 3 358.511 2.463 20 30 FEEDHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)C[C@@H]21 ZINC000590791602 672618641 /nfs/dbraw/zinc/61/86/41/672618641.db2.gz ILOMJVQZWGIKDA-RISCZKNCSA-N 0 3 360.483 2.018 20 30 FEEDHN CC(C)(CO)N1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000611500640 676041066 /nfs/dbraw/zinc/04/10/66/676041066.db2.gz DYCXJSHJWGXJKR-UHFFFAOYSA-N 0 3 352.276 2.209 20 30 FEEDHN C[S@@](=O)c1ccc(CNC[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000591750281 672708181 /nfs/dbraw/zinc/70/81/81/672708181.db2.gz YKKYNOREBJCVLS-SSOJOUAXSA-N 0 3 358.463 2.020 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000594432234 673071497 /nfs/dbraw/zinc/07/14/97/673071497.db2.gz ZYRRBDABCQJPLW-MRXNPFEDSA-N 0 3 360.483 2.225 20 30 FEEDHN CN1CC[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594445837 673073315 /nfs/dbraw/zinc/07/33/15/673073315.db2.gz KYFZGEBVBMWIPH-YESZJQIVSA-N 0 3 350.413 2.237 20 30 FEEDHN COC(=O)NCCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000730919508 673295454 /nfs/dbraw/zinc/29/54/54/673295454.db2.gz DRWLPKFNQPGPAL-SNVBAGLBSA-N 0 3 355.753 2.263 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCOCO1 ZINC000732738604 673380361 /nfs/dbraw/zinc/38/03/61/673380361.db2.gz SDNVWKMEGRAPSK-HNNXBMFYSA-N 0 3 352.504 2.348 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C#N)c2ccccc2Br)CC1 ZINC000733266852 673406072 /nfs/dbraw/zinc/40/60/72/673406072.db2.gz OGMQRDSMIMOGKV-INIZCTEOSA-N 0 3 360.255 2.475 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)O1 ZINC000597361981 673471685 /nfs/dbraw/zinc/47/16/85/673471685.db2.gz VYJGZYKUPDYRSX-BETUJISGSA-N 0 3 351.397 2.456 20 30 FEEDHN N#CC(C(=O)COC1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000735400718 673493017 /nfs/dbraw/zinc/49/30/17/673493017.db2.gz ZPCWABNQGWLIEG-GFCCVEGCSA-N 0 3 354.765 2.322 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1N(C)C ZINC000540589133 673548527 /nfs/dbraw/zinc/54/85/27/673548527.db2.gz OETCJKZQXPFYKU-RWBIUQBRSA-N 0 3 366.575 2.283 20 30 FEEDHN CN(C[C@H](O)CC(C)(C)C#N)C[C@@H](c1cccs1)N1CCOCC1 ZINC000598588410 673587266 /nfs/dbraw/zinc/58/72/66/673587266.db2.gz LKXAPGGHIALHLB-CVEARBPZSA-N 0 3 351.516 2.354 20 30 FEEDHN CCN(CC)C(=O)CCC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000542981289 673619023 /nfs/dbraw/zinc/61/90/23/673619023.db2.gz ROAIQCDVHSGHMG-MRXNPFEDSA-N 0 3 350.507 2.108 20 30 FEEDHN N#Cc1cnc2c(Br)cccc2c1NCCN1CC[C@@H](O)C1 ZINC000599175950 673638651 /nfs/dbraw/zinc/63/86/51/673638651.db2.gz KSZPPBDVJKFLFR-GFCCVEGCSA-N 0 3 361.243 2.347 20 30 FEEDHN Cc1ccc(Br)cc1NC(=O)CNC[C@H](O)CC1(C#N)CC1 ZINC000600723402 673794846 /nfs/dbraw/zinc/79/48/46/673794846.db2.gz NNVCAUGPEBCUKQ-CYBMUJFWSA-N 0 3 366.259 2.340 20 30 FEEDHN N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000601376656 673851495 /nfs/dbraw/zinc/85/14/95/673851495.db2.gz NMOQYQPZJIVRAJ-FUHWJXTLSA-N 0 3 359.495 2.390 20 30 FEEDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000601421618 673859750 /nfs/dbraw/zinc/85/97/50/673859750.db2.gz IILROSIEZQAXFF-MFKMUULPSA-N 0 3 361.389 2.290 20 30 FEEDHN C#CCN(C)CCCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000818608957 675228523 /nfs/dbraw/zinc/22/85/23/675228523.db2.gz AYNOQPFKFJIVPR-UHFFFAOYSA-N 0 3 363.255 2.296 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)nc1N ZINC000822475474 675487062 /nfs/dbraw/zinc/48/70/62/675487062.db2.gz GHHWFWBWGUIKHI-UHFFFAOYSA-N 0 3 357.845 2.393 20 30 FEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619828602 676396634 /nfs/dbraw/zinc/39/66/34/676396634.db2.gz WDZMTUHCOORLCL-INIZCTEOSA-N 0 3 364.877 2.464 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000838622602 680706576 /nfs/dbraw/zinc/70/65/76/680706576.db2.gz WLWYBTBCNQKDSN-UHFFFAOYSA-N 0 3 364.877 2.243 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000838623204 680706826 /nfs/dbraw/zinc/70/68/26/680706826.db2.gz UYODEWNIHQPTCR-LRDDRELGSA-N 0 3 355.841 2.155 20 30 FEEDHN CCOCCCN1CCC(=NNS(=O)(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000764721690 680819567 /nfs/dbraw/zinc/81/95/67/680819567.db2.gz QXTDQPXCDDSMGM-CQSZACIVSA-N 0 3 371.478 2.228 20 30 FEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)s1 ZINC001019136660 680088926 /nfs/dbraw/zinc/08/89/26/680088926.db2.gz SEZOKZHAJUIJCK-JCGIZDLHSA-N 0 3 359.495 2.373 20 30 FEEDHN C[C@H]1CN(C)CC1=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000752157886 680225879 /nfs/dbraw/zinc/22/58/79/680225879.db2.gz FGNZOLGOWWUQSX-HNNXBMFYSA-N 0 3 359.543 2.053 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNCc2csnc2OC)C1 ZINC001024165899 680282935 /nfs/dbraw/zinc/28/29/35/680282935.db2.gz XRUVHFYKNPNGAL-IMJJTQAJSA-N 0 3 365.499 2.071 20 30 FEEDHN N#Cc1ccc(CN2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1 ZINC001028606136 680379246 /nfs/dbraw/zinc/37/92/46/680379246.db2.gz MIFXKAIOGPXKGY-APHBMKBZSA-N 0 3 355.467 2.085 20 30 FEEDHN N#Cc1ccc(CN2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1 ZINC001028606136 680379253 /nfs/dbraw/zinc/37/92/53/680379253.db2.gz MIFXKAIOGPXKGY-APHBMKBZSA-N 0 3 355.467 2.085 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001029847932 680393678 /nfs/dbraw/zinc/39/36/78/680393678.db2.gz YKKYRUUNZVBOHT-QGTPRVQTSA-N 0 3 359.495 2.491 20 30 FEEDHN C=CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)nn2)C1 ZINC000999998503 680416376 /nfs/dbraw/zinc/41/63/76/680416376.db2.gz TVABIJHHLSAVQY-YESZJQIVSA-N 0 3 357.483 2.192 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000836223916 680437514 /nfs/dbraw/zinc/43/75/14/680437514.db2.gz ZDGCXTQVRKXNAP-UHFFFAOYSA-N 0 3 357.376 2.382 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000836490041 680476521 /nfs/dbraw/zinc/47/65/21/680476521.db2.gz DBIWURGSICVZAI-QGZVFWFLSA-N 0 3 351.397 2.003 20 30 FEEDHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2nc(C#N)c(Cl)s2)C1)N(C)C ZINC001043261607 680569941 /nfs/dbraw/zinc/56/99/41/680569941.db2.gz KPYZWXOJAVFZGV-YUSALJHKSA-N 0 3 355.895 2.267 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043517064 680585456 /nfs/dbraw/zinc/58/54/56/680585456.db2.gz JZAMVIMTSPVKQA-DMDPSCGWSA-N 0 3 367.906 2.269 20 30 FEEDHN COCC(=O)N(C)CC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000759213143 680635228 /nfs/dbraw/zinc/63/52/28/680635228.db2.gz GUYTVDKZPBQUGA-CQSZACIVSA-N 0 3 357.435 2.400 20 30 FEEDHN Cc1nsc(NC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c1C#N ZINC001054426329 681108541 /nfs/dbraw/zinc/10/85/41/681108541.db2.gz UBFQTWCBTBHQMB-XPKDYRNWSA-N 0 3 363.531 2.416 20 30 FEEDHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 ZINC000932903135 681325697 /nfs/dbraw/zinc/32/56/97/681325697.db2.gz OXFVQSNDBZQSRR-KBPBESRZSA-N 0 3 358.364 2.442 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)Cc1cccc(Br)c1C ZINC000848456539 681549354 /nfs/dbraw/zinc/54/93/54/681549354.db2.gz IASWSKCXWCXAHS-UHFFFAOYSA-N 0 3 373.316 2.132 20 30 FEEDHN N#Cc1cc(CS(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)cs1 ZINC000914055450 685492653 /nfs/dbraw/zinc/49/26/53/685492653.db2.gz AOPCLFHBEOXGHS-OAHLLOKOSA-N 0 3 353.513 2.400 20 30 FEEDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]2C1 ZINC000916661777 685526790 /nfs/dbraw/zinc/52/67/90/685526790.db2.gz DLSSSIMTLXHVDO-YPMHNXCESA-N 0 3 373.400 2.149 20 30 FEEDHN CC(=O)NCCCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786536304 682384396 /nfs/dbraw/zinc/38/43/96/682384396.db2.gz NJPDGHYHGWYSLV-INIZCTEOSA-N 0 3 363.845 2.362 20 30 FEEDHN N#CC(C(=O)CCC1CCOCC1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786563514 682385491 /nfs/dbraw/zinc/38/54/91/682385491.db2.gz IJUNKJISKKATQF-AWEZNQCLSA-N 0 3 350.365 2.497 20 30 FEEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000790542529 682684625 /nfs/dbraw/zinc/68/46/25/682684625.db2.gz KAGJBNHEFPQBQG-HZPDHXFCSA-N 0 3 352.356 2.036 20 30 FEEDHN C=CCN1CCC(NC(=O)CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859250919 683064895 /nfs/dbraw/zinc/06/48/95/683064895.db2.gz QVVFKADPEYFXHU-UHFFFAOYSA-N 0 3 351.491 2.400 20 30 FEEDHN C#CC[C@H](CCOC)NCCS(=O)(=O)c1cccc(Br)c1 ZINC000863589637 683746792 /nfs/dbraw/zinc/74/67/92/683746792.db2.gz SWTLEMSMVVPAPE-CQSZACIVSA-N 0 3 374.300 2.241 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cc1csc(COc2ccccc2)n1 ZINC000868582228 684513779 /nfs/dbraw/zinc/51/37/79/684513779.db2.gz WOCPGRWKZNXWQB-UHFFFAOYSA-N 0 3 357.479 2.336 20 30 FEEDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000869861447 684662522 /nfs/dbraw/zinc/66/25/22/684662522.db2.gz GEAGDSZBDBIJSX-AWEZNQCLSA-N 0 3 350.394 2.091 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000870135661 684687073 /nfs/dbraw/zinc/68/70/73/684687073.db2.gz BJRIHXONLIDCRN-PJODQICGSA-N 0 3 350.802 2.429 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1cc2n(n1)CCN(C)C2 ZINC000871928652 684884438 /nfs/dbraw/zinc/88/44/38/684884438.db2.gz IHWCAHKDSSHELM-AWEZNQCLSA-N 0 3 359.499 2.405 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000876602563 686226632 /nfs/dbraw/zinc/22/66/32/686226632.db2.gz BQKAQUQMDVBASP-CQSZACIVSA-N 0 3 365.861 2.342 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)NCCOC)c(Cl)c1 ZINC000876607228 686227997 /nfs/dbraw/zinc/22/79/97/686227997.db2.gz JUCDBGISHDFAIN-ZDUSSCGKSA-N 0 3 360.241 2.125 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000876909865 686293531 /nfs/dbraw/zinc/29/35/31/686293531.db2.gz KYIMYWJAALJWNN-JQWIXIFHSA-N 0 3 357.863 2.453 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000876977895 686304014 /nfs/dbraw/zinc/30/40/14/686304014.db2.gz BXHNTLFKQPSLHO-IRXDYDNUSA-N 0 3 352.862 2.468 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883086746 687560844 /nfs/dbraw/zinc/56/08/44/687560844.db2.gz DGTTZHGDGIEZPZ-UHFFFAOYSA-N 0 3 364.247 2.488 20 30 FEEDHN CS(=O)(=O)[C@H]1C[C@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000883379384 687618978 /nfs/dbraw/zinc/61/89/78/687618978.db2.gz ZESBYSPNLCYZKW-QAQDUYKDSA-N 0 3 358.467 2.129 20 30 FEEDHN C=CC(C)(C)CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883736588 687713165 /nfs/dbraw/zinc/71/31/65/687713165.db2.gz GPZXJWIHTSUVGN-UHFFFAOYSA-N 0 3 350.507 2.104 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3cc(Br)ccc3C1)C2 ZINC000884322288 687848371 /nfs/dbraw/zinc/84/83/71/687848371.db2.gz JRHJTCSQJPQEMO-SWKXRBFHSA-N 0 3 374.282 2.473 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F)C2 ZINC000884400571 687863586 /nfs/dbraw/zinc/86/35/86/687863586.db2.gz LZVWUAJDAPPOJK-QRFPHZIJSA-N 0 3 359.392 2.132 20 30 FEEDHN C#CCN(C(=O)Cc1ccc(Br)cc1C#N)C1CCN(C)CC1 ZINC000886574654 688278371 /nfs/dbraw/zinc/27/83/71/688278371.db2.gz NUDPYXGYFRPAGF-UHFFFAOYSA-N 0 3 374.282 2.419 20 30 FEEDHN C#CCN(C(=O)C[C@H](c1nccn1C)C(F)(F)F)C1CCN(C)CC1 ZINC000886576136 688278964 /nfs/dbraw/zinc/27/89/64/688278964.db2.gz YBOBEZGDWLVCLK-CQSZACIVSA-N 0 3 356.392 2.012 20 30 FEEDHN C#CCN(C(=O)c1sc2nc(C)nc(N)c2c1C)C1CCN(C)CC1 ZINC000886579097 688279498 /nfs/dbraw/zinc/27/94/98/688279498.db2.gz XZHVNSCJDSHMKH-UHFFFAOYSA-N 0 3 357.483 2.060 20 30 FEEDHN C#CCN(C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C1CCN(C)CC1 ZINC000886587381 688280023 /nfs/dbraw/zinc/28/00/23/688280023.db2.gz UILSSHRZFFOWHB-CYBMUJFWSA-N 0 3 357.479 2.289 20 30 FEEDHN COC1CCN(CCNC(=O)NCc2ccc(SC)c(C#N)c2)CC1 ZINC000890452217 688922451 /nfs/dbraw/zinc/92/24/51/688922451.db2.gz LLIIXKJVWOXVOI-UHFFFAOYSA-N 0 3 362.499 2.190 20 30 FEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2c3c(nn2C)CCCC3)n1 ZINC000892624575 689219861 /nfs/dbraw/zinc/21/98/61/689219861.db2.gz PWDMHGOMTSZOTM-NSHDSACASA-N 0 3 358.423 2.422 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC000892857675 689254534 /nfs/dbraw/zinc/25/45/34/689254534.db2.gz GDGCPMHBDMUWJT-OKILXGFUSA-N 0 3 362.440 2.303 20 30 FEEDHN CN(C)CCN(CCc1ccccc1)C(=O)NCc1nc(C#N)cs1 ZINC000897301690 690002852 /nfs/dbraw/zinc/00/28/52/690002852.db2.gz RBBGDLHZUTVBNG-UHFFFAOYSA-N 0 3 357.483 2.331 20 30 FEEDHN CCOC(=O)C1([C@@H](C)NCc2cc(C#N)cnc2Cl)CCOCC1 ZINC000897740972 690073368 /nfs/dbraw/zinc/07/33/68/690073368.db2.gz KGTOGNLTUHDGLX-GFCCVEGCSA-N 0 3 351.834 2.445 20 30 FEEDHN CNC(=O)CN1CCCC12CCN(c1nc(C(C)C)ccc1C#N)CC2 ZINC001164682132 719702340 /nfs/dbraw/zinc/70/23/40/719702340.db2.gz BGYCGVXKWUECIN-UHFFFAOYSA-N 0 3 355.486 2.257 20 30 FEEDHN N#Cc1ccc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164741595 720676737 /nfs/dbraw/zinc/67/67/37/720676737.db2.gz UHRUFVVHCAJLGU-ROUUACIJSA-N 0 3 372.432 2.238 20 30 FEEDHN N#Cc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164870868 721053968 /nfs/dbraw/zinc/05/39/68/721053968.db2.gz WZIHLMPZWWJYTI-CVEARBPZSA-N 0 3 369.856 2.481 20 30 FEEDHN Cc1cc(C#N)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164865964 721077030 /nfs/dbraw/zinc/07/70/30/721077030.db2.gz QLFJPBSOLTZPTQ-VQTJNVASSA-N 0 3 363.465 2.445 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5c(C#N)c[nH]c5n4)C[C@@H]3C2)cn1 ZINC001164773301 721148776 /nfs/dbraw/zinc/14/87/76/721148776.db2.gz YBPNVZWBYRZPEN-WBVHZDCISA-N 0 3 361.453 2.126 20 30 FEEDHN Cc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(C#N)n1 ZINC001164903345 721538858 /nfs/dbraw/zinc/53/88/58/721538858.db2.gz CDFBZGAKXSZZTQ-NVXWUHKLSA-N 0 3 353.401 2.138 20 30 FEEDHN C[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000502072298 813810026 /nfs/dbraw/zinc/81/00/26/813810026.db2.gz UATLEGPZCSNDEN-QGZVFWFLSA-N 0 3 363.465 2.488 20 30 FEEDHN Cc1sc(NC(=O)CN[C@H](C2CC2)[C@]2(CO)CCCO2)c(C#N)c1C ZINC000550141622 674083437 /nfs/dbraw/zinc/08/34/37/674083437.db2.gz ZVPGUIHFCVUERJ-SJLPKXTDSA-N 0 3 363.483 2.085 20 30 FEEDHN COc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000045374850 540211452 /nfs/dbraw/zinc/21/14/52/540211452.db2.gz BYPYMMFXGHUVMO-UHFFFAOYSA-N 0 3 367.453 2.235 20 30 FEEDHN COc1cc(/C=C/C(=O)NCCN2CCC[C@@H](C)C2)ccc1OCC#N ZINC000046861992 540274347 /nfs/dbraw/zinc/27/43/47/540274347.db2.gz QONRVEWDVYGFKB-IQIBNGDESA-N 0 3 357.454 2.459 20 30 FEEDHN COc1cc(CNCc2ccc(C#N)cc2)ccc1OCC(=O)N(C)C ZINC000048713512 540371320 /nfs/dbraw/zinc/37/13/20/540371320.db2.gz PQZSSGCFICIURW-UHFFFAOYSA-N 0 3 353.422 2.324 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000050173933 540402545 /nfs/dbraw/zinc/40/25/45/540402545.db2.gz HWQQQWNTOMYMIR-CQSZACIVSA-N 0 3 372.469 2.132 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(NC(=O)C(C)C)CC1 ZINC000061023372 541124736 /nfs/dbraw/zinc/12/47/36/541124736.db2.gz IHMMHKQMTNOXKG-LJQANCHMSA-N 0 3 360.498 2.391 20 30 FEEDHN COC(=O)COc1cccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000064102156 541194717 /nfs/dbraw/zinc/19/47/17/541194717.db2.gz IEBXEJCLSOXTNY-HNNXBMFYSA-N 0 3 368.393 2.046 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000067345065 541447051 /nfs/dbraw/zinc/44/70/51/541447051.db2.gz UNLCNXZCOITINF-GJZGRUSLSA-N 0 3 372.469 2.275 20 30 FEEDHN CC(=O)NC[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000067414815 541459709 /nfs/dbraw/zinc/45/97/09/541459709.db2.gz GFXDVJFFPBCVFH-AWEZNQCLSA-N 0 3 374.510 2.285 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@H]2C1 ZINC000542839632 541484758 /nfs/dbraw/zinc/48/47/58/541484758.db2.gz IQTSYVBHWZPNDX-DYVFJYSZSA-N 0 3 368.416 2.441 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1CN1CCC(CO)CC1 ZINC000072079576 541783385 /nfs/dbraw/zinc/78/33/85/541783385.db2.gz XPDMGEGZQCLUGR-OAQYLSRUSA-N 0 3 372.513 2.357 20 30 FEEDHN COC(=O)[C@@H]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000073108036 541918925 /nfs/dbraw/zinc/91/89/25/541918925.db2.gz YBQSNTCOYQAGJM-RTBURBONSA-N 0 3 371.481 2.428 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)NC2CCN(CC#N)CC2)CCN1Cc1ccccc1 ZINC000080122551 542567521 /nfs/dbraw/zinc/56/75/21/542567521.db2.gz NPSUCKMPMSUIGM-PXNSSMCTSA-N 0 3 369.513 2.327 20 30 FEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000080432900 542588963 /nfs/dbraw/zinc/58/89/63/542588963.db2.gz IEBXXJUUDBBWFB-GOSISDBHSA-N 0 3 374.504 2.244 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000081171720 542637472 /nfs/dbraw/zinc/63/74/72/542637472.db2.gz PYLLWJHPMPBFQR-DLBZAZTESA-N 0 3 357.454 2.275 20 30 FEEDHN CN1CCC(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092148775 542846445 /nfs/dbraw/zinc/84/64/45/542846445.db2.gz RKEQNMKJCXFBAR-UHFFFAOYSA-N 0 3 357.458 2.037 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000104652302 543136362 /nfs/dbraw/zinc/13/63/62/543136362.db2.gz CYLSLDPPHZXRPO-UHFFFAOYSA-N 0 3 353.510 2.455 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCc2nc(-c3cccnc3)no2)CC1 ZINC000106036309 543186094 /nfs/dbraw/zinc/18/60/94/543186094.db2.gz MWDUBOMIIHAMJV-UHFFFAOYSA-N 0 3 355.442 2.221 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1 ZINC000106037047 543186115 /nfs/dbraw/zinc/18/61/15/543186115.db2.gz ZXSWUSQIXYCFFC-OAHLLOKOSA-N 0 3 369.465 2.136 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)CC1 ZINC000106036487 543186433 /nfs/dbraw/zinc/18/64/33/543186433.db2.gz RXCRZZYMUUTDMJ-UHFFFAOYSA-N 0 3 364.534 2.317 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC000106290651 543221481 /nfs/dbraw/zinc/22/14/81/543221481.db2.gz ACWNEULAFJNQDD-OAQYLSRUSA-N 0 3 371.525 2.341 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000106340790 543224086 /nfs/dbraw/zinc/22/40/86/543224086.db2.gz CBVRAAKLVYCJLI-SFHVURJKSA-N 0 3 370.497 2.411 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000108278045 543284746 /nfs/dbraw/zinc/28/47/46/543284746.db2.gz KHWSIIZXPXRKJK-AWEZNQCLSA-N 0 3 374.510 2.393 20 30 FEEDHN CC1CCN(CCNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000108606577 543297279 /nfs/dbraw/zinc/29/72/79/543297279.db2.gz AUUMDPDYUSUROT-UHFFFAOYSA-N 0 3 374.510 2.479 20 30 FEEDHN C=CC1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000111258665 543389749 /nfs/dbraw/zinc/38/97/49/543389749.db2.gz ONWJMLXBWRCWDF-UHFFFAOYSA-N 0 3 357.498 2.033 20 30 FEEDHN CN(C)CCN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000112915899 543467622 /nfs/dbraw/zinc/46/76/22/543467622.db2.gz NRAHKJKKFOIAQZ-UHFFFAOYSA-N 0 3 362.861 2.483 20 30 FEEDHN CN(CCN1CCCC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000112750133 543463037 /nfs/dbraw/zinc/46/30/37/543463037.db2.gz ZMXXCWUOOIRZFI-QGZVFWFLSA-N 0 3 373.476 2.403 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000113498122 543488933 /nfs/dbraw/zinc/48/89/33/543488933.db2.gz GMZGWVPLSIMFKK-VIFPVBQESA-N 0 3 364.236 2.194 20 30 FEEDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000114803200 543537521 /nfs/dbraw/zinc/53/75/21/543537521.db2.gz RYVSXBLDBJKIBG-RDJZCZTQSA-N 0 3 366.469 2.135 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000119347402 543666340 /nfs/dbraw/zinc/66/63/40/543666340.db2.gz JUAWFAKLDCNKKK-QAPCUYQASA-N 0 3 372.469 2.106 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000119433436 543667705 /nfs/dbraw/zinc/66/77/05/543667705.db2.gz LKIDJHDABLENML-QAPCUYQASA-N 0 3 359.470 2.379 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000119433603 543667899 /nfs/dbraw/zinc/66/78/99/543667899.db2.gz LKIDJHDABLENML-YJBOKZPZSA-N 0 3 359.470 2.379 20 30 FEEDHN C=CCCS(=O)(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000119576183 543669371 /nfs/dbraw/zinc/66/93/71/543669371.db2.gz DPIAVCGGYXOIJY-INIZCTEOSA-N 0 3 350.484 2.470 20 30 FEEDHN CC(C)N1CCN(c2cccc(N[C@@H](C)C(=O)N(C)CCC#N)c2)CC1 ZINC000125026813 543856697 /nfs/dbraw/zinc/85/66/97/543856697.db2.gz TWSKDZLRYPYEDF-KRWDZBQOSA-N 0 3 357.502 2.389 20 30 FEEDHN C=C(C)CN(CC)[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000125957259 543911004 /nfs/dbraw/zinc/91/10/04/543911004.db2.gz YKLLVTAYXQPFAX-GOSISDBHSA-N 0 3 359.514 2.422 20 30 FEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125624127 543892561 /nfs/dbraw/zinc/89/25/61/543892561.db2.gz QGVVYTFAFJJFNT-NSHDSACASA-N 0 3 357.380 2.368 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000126904771 543963073 /nfs/dbraw/zinc/96/30/73/543963073.db2.gz VVJAKWFIZCRQLC-SFTDATJTSA-N 0 3 351.450 2.255 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CN1C1CC1 ZINC000127834203 544016212 /nfs/dbraw/zinc/01/62/12/544016212.db2.gz AZBPLNZRKPIONS-HOCLYGCPSA-N 0 3 371.460 2.154 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCN(c3ccccn3)C2)CC1 ZINC000127355093 543987594 /nfs/dbraw/zinc/98/75/94/543987594.db2.gz UPLLVVODZSJRPW-GOSISDBHSA-N 0 3 357.502 2.390 20 30 FEEDHN CC(C)N(C)CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000129343042 544106795 /nfs/dbraw/zinc/10/67/95/544106795.db2.gz MKKDHQODXQNCBK-UHFFFAOYSA-N 0 3 351.454 2.095 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000133060778 544254441 /nfs/dbraw/zinc/25/44/41/544254441.db2.gz NSAWHXVIDBSDCO-HXUWFJFHSA-N 0 3 357.498 2.044 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3CCC(C)C)CC2)o1 ZINC000135315511 544341686 /nfs/dbraw/zinc/34/16/86/544341686.db2.gz RBNCFBPAGDMKGG-KRWDZBQOSA-N 0 3 373.501 2.404 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)ccc1Cl ZINC000151616288 544562666 /nfs/dbraw/zinc/56/26/66/544562666.db2.gz NPVBARWGRWJPHS-CYBMUJFWSA-N 0 3 353.875 2.318 20 30 FEEDHN N#Cc1ccc2ncc(CN[C@H]3CCN(C(=O)C4CCCCC4)C3)n2c1 ZINC000152538221 544665668 /nfs/dbraw/zinc/66/56/68/544665668.db2.gz CNFMVCRISDJTMP-KRWDZBQOSA-N 0 3 351.454 2.477 20 30 FEEDHN CCO[C@H]1C[C@@H](O)C12CCN(CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000152706480 544685698 /nfs/dbraw/zinc/68/56/98/544685698.db2.gz PSAWJNZDMXQRFU-MSOLQXFVSA-N 0 3 357.454 2.139 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1coc(-c2c(F)cccc2F)n1 ZINC000155100303 544989867 /nfs/dbraw/zinc/98/98/67/544989867.db2.gz PSLXUGBCEVOIKU-SNVBAGLBSA-N 0 3 370.377 2.225 20 30 FEEDHN C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180539575 327689953 /nfs/dbraw/zinc/68/99/53/327689953.db2.gz QRIFWCCPIQUQNR-KUHUBIRLSA-N 0 3 373.478 2.193 20 30 FEEDHN COCCO[C@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000189664305 328160783 /nfs/dbraw/zinc/16/07/83/328160783.db2.gz HQHJMCLDSPHHBJ-HNNXBMFYSA-N 0 3 351.834 2.278 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000190480396 328210243 /nfs/dbraw/zinc/21/02/43/328210243.db2.gz VKTSOPAVCGLXOV-INIZCTEOSA-N 0 3 371.412 2.375 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193225748 328363700 /nfs/dbraw/zinc/36/37/00/328363700.db2.gz STKRNQBBLJBMND-MRXNPFEDSA-N 0 3 359.474 2.062 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000193627453 328386489 /nfs/dbraw/zinc/38/64/89/328386489.db2.gz IMLXFHCKJMNRAP-UHFFFAOYSA-N 0 3 359.474 2.104 20 30 FEEDHN COc1cc(CNC(=O)c2cccc(C#N)c2)ccc1OCCN(C)C ZINC000194854774 328443607 /nfs/dbraw/zinc/44/36/07/328443607.db2.gz GWTJFWVKQRYNFV-UHFFFAOYSA-N 0 3 353.422 2.437 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc2c(c1)OCO2 ZINC000195141515 328457952 /nfs/dbraw/zinc/45/79/52/328457952.db2.gz MLLXTONSURQHIP-UHFFFAOYSA-N 0 3 365.433 2.420 20 30 FEEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000012900115 324373157 /nfs/dbraw/zinc/37/31/57/324373157.db2.gz NHDJXRCRIOPCQH-HNAYVOBHSA-N 0 3 363.421 2.229 20 30 FEEDHN N#Cc1c[nH]c(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)c1 ZINC000091631138 325389416 /nfs/dbraw/zinc/38/94/16/325389416.db2.gz WOKADAVHYDSNSB-UHFFFAOYSA-N 0 3 352.438 2.333 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCCCCC1 ZINC000097258580 325459767 /nfs/dbraw/zinc/45/97/67/325459767.db2.gz ZSLYKFKWNOMUKY-UHFFFAOYSA-N 0 3 372.469 2.276 20 30 FEEDHN N#Cc1cccc(OCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866364 326109882 /nfs/dbraw/zinc/10/98/82/326109882.db2.gz GHCPNANDIWYMSY-HNNXBMFYSA-N 0 3 353.382 2.427 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccc1F ZINC000121626920 326353268 /nfs/dbraw/zinc/35/32/68/326353268.db2.gz YIGXVGVUARGFBZ-FZKQIMNGSA-N 0 3 363.458 2.335 20 30 FEEDHN N#Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000121639696 326353873 /nfs/dbraw/zinc/35/38/73/326353873.db2.gz AINWWYAXWFPUDS-IEBWSBKVSA-N 0 3 359.495 2.337 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c(F)c1 ZINC000121715098 326360702 /nfs/dbraw/zinc/36/07/02/326360702.db2.gz FXVWCZIKYHIUQC-PBHICJAKSA-N 0 3 363.458 2.335 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000122438474 326396921 /nfs/dbraw/zinc/39/69/21/326396921.db2.gz BTOPUOIAJNHKPN-CJNGLKHVSA-N 0 3 353.875 2.316 20 30 FEEDHN CCO[C@H]1C[C@@H](O)C12CCN(CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000152945814 326720254 /nfs/dbraw/zinc/72/02/54/326720254.db2.gz FQSVXOIXNDBKKV-MSOLQXFVSA-N 0 3 357.454 2.139 20 30 FEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000158350803 326892972 /nfs/dbraw/zinc/89/29/72/326892972.db2.gz IKDBPARPQFFWAG-YLJYHZDGSA-N 0 3 371.481 2.429 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000162079616 327016364 /nfs/dbraw/zinc/01/63/64/327016364.db2.gz OUJLBQBGDHCQCG-QGZVFWFLSA-N 0 3 365.474 2.477 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000173282199 327246558 /nfs/dbraw/zinc/24/65/58/327246558.db2.gz IJMNADYLRXWDAS-SJORKVTESA-N 0 3 354.454 2.279 20 30 FEEDHN C[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000249406075 328768279 /nfs/dbraw/zinc/76/82/79/328768279.db2.gz WOKJUIIQLMDBKG-ZKYQVNSYSA-N 0 3 360.483 2.069 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N(C)C ZINC000264638982 329043457 /nfs/dbraw/zinc/04/34/57/329043457.db2.gz YYOSBXMKIHNUSA-AWEZNQCLSA-N 0 3 366.421 2.355 20 30 FEEDHN N#Cc1ccc(N2CCC(N[C@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000265118098 329092904 /nfs/dbraw/zinc/09/29/04/329092904.db2.gz CQGIVTGWVNFWNB-INIZCTEOSA-N 0 3 366.387 2.280 20 30 FEEDHN C#CCCCS(=O)(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000805004039 674311928 /nfs/dbraw/zinc/31/19/28/674311928.db2.gz XVTBXPNXSGWJQG-KRWDZBQOSA-N 0 3 364.511 2.219 20 30 FEEDHN CN1CCC(C#N)(NC(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000554564906 674324021 /nfs/dbraw/zinc/32/40/21/674324021.db2.gz BRHRKZMVWJZLBG-UHFFFAOYSA-N 0 3 362.231 2.043 20 30 FEEDHN CSC1(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCN(C)CC1 ZINC000554971279 674343893 /nfs/dbraw/zinc/34/38/93/674343893.db2.gz ZJNMXJLLHCILNQ-UHFFFAOYSA-N 0 3 373.931 2.317 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000156937354 545680714 /nfs/dbraw/zinc/68/07/14/545680714.db2.gz HSCWXMLREMIGKS-YLJYHZDGSA-N 0 3 373.522 2.281 20 30 FEEDHN N#Cc1ccc(CCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159357627 545946351 /nfs/dbraw/zinc/94/63/51/545946351.db2.gz BTEJDPZQGCMLCT-OAQYLSRUSA-N 0 3 363.461 2.026 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000478454701 561167318 /nfs/dbraw/zinc/16/73/18/561167318.db2.gz RZJDJBAANJBYRG-UHFFFAOYSA-N 0 3 362.433 2.342 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CCOC)[C@H](CCC)C2)CC1 ZINC000161762903 546134525 /nfs/dbraw/zinc/13/45/25/546134525.db2.gz TWRJRKGKRLEQAU-LJQANCHMSA-N 0 3 366.550 2.169 20 30 FEEDHN C=CCOc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000165169831 546152256 /nfs/dbraw/zinc/15/22/56/546152256.db2.gz RIFYTJGGVDMZMB-SFHVURJKSA-N 0 3 372.469 2.022 20 30 FEEDHN N=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccccn1 ZINC000170914250 546182678 /nfs/dbraw/zinc/18/26/78/546182678.db2.gz ILJBOCODRKSJRX-UHFFFAOYSA-N 0 3 373.482 2.183 20 30 FEEDHN CN(CCN1CCN(C(=O)NCCCCC#N)CC1)Cc1ccccc1 ZINC000171689724 546219973 /nfs/dbraw/zinc/21/99/73/546219973.db2.gz DBZWLMNIHMDBHH-UHFFFAOYSA-N 0 3 357.502 2.139 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000171740522 546223184 /nfs/dbraw/zinc/22/31/84/546223184.db2.gz HFKVXRSAIHSXDQ-UHFFFAOYSA-N 0 3 371.460 2.179 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000171737016 546223365 /nfs/dbraw/zinc/22/33/65/546223365.db2.gz RVWJUIWNKDWQNR-UHFFFAOYSA-N 0 3 371.460 2.179 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000173196236 546275909 /nfs/dbraw/zinc/27/59/09/546275909.db2.gz VBTATXYMXHMRFD-GOSISDBHSA-N 0 3 356.470 2.050 20 30 FEEDHN C[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)CN1CCN(C)CC1 ZINC000174903931 546305249 /nfs/dbraw/zinc/30/52/49/546305249.db2.gz YOSPALRKTMDQQD-MRXNPFEDSA-N 0 3 357.502 2.493 20 30 FEEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174954644 546305273 /nfs/dbraw/zinc/30/52/73/546305273.db2.gz ISRPDHJCCUYNEM-CTNGQTDRSA-N 0 3 354.498 2.391 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000175376850 546309776 /nfs/dbraw/zinc/30/97/76/546309776.db2.gz BVEAZXNNRYBHRO-MRXNPFEDSA-N 0 3 359.449 2.013 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000176311009 546429908 /nfs/dbraw/zinc/42/99/08/546429908.db2.gz ZHNRBPAKFITJDS-AEFFLSMTSA-N 0 3 364.453 2.025 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(O[C@H]2CCOC2)CC1 ZINC000480306671 561206843 /nfs/dbraw/zinc/20/68/43/561206843.db2.gz KSZMHZBIMMZXMN-ICSRJNTNSA-N 0 3 361.482 2.425 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2cccnc2)cc1 ZINC000481003127 561222605 /nfs/dbraw/zinc/22/26/05/561222605.db2.gz UCSXXXIEHVGVHA-CYBMUJFWSA-N 0 3 358.423 2.431 20 30 FEEDHN N#CC1(F)CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000481117803 561225627 /nfs/dbraw/zinc/22/56/27/561225627.db2.gz OOTKDAWLYCEZIH-UHFFFAOYSA-N 0 3 354.495 2.385 20 30 FEEDHN C=CCOC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)OC ZINC000481779716 561241966 /nfs/dbraw/zinc/24/19/66/561241966.db2.gz NDIAPVNPXKJNAP-SFHVURJKSA-N 0 3 360.454 2.147 20 30 FEEDHN O=C(CNC1(CO)CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000179061065 546893876 /nfs/dbraw/zinc/89/38/76/546893876.db2.gz JHTSPYQGYQKQFQ-UHFFFAOYSA-N 0 3 354.372 2.068 20 30 FEEDHN C[C@](C#N)(NC(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 ZINC000179744978 547006725 /nfs/dbraw/zinc/00/67/25/547006725.db2.gz ILKVFLDHSWJMRE-WOJBJXKFSA-N 0 3 355.438 2.307 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H]2COC3(CCC(C)CC3)O2)CC1 ZINC000180690224 547159281 /nfs/dbraw/zinc/15/92/81/547159281.db2.gz YROZLDRUDVNAIC-RMXPPQQLSA-N 0 3 351.491 2.258 20 30 FEEDHN CC[C@H](CO)N1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181122852 547253403 /nfs/dbraw/zinc/25/34/03/547253403.db2.gz NXQYRLKIPWNPQF-OAHLLOKOSA-N 0 3 352.276 2.209 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)C[C@H]1N1CCCC1 ZINC000483390721 561275601 /nfs/dbraw/zinc/27/56/01/561275601.db2.gz CTYBZYGDWZQPKM-ZIAGYGMSSA-N 0 3 350.875 2.258 20 30 FEEDHN CNS(=O)(=O)c1cccc([C@H](C)NCCOc2ccccc2C#N)c1 ZINC000181944359 547410547 /nfs/dbraw/zinc/41/05/47/547410547.db2.gz ZWLVJPIJJDXVOW-AWEZNQCLSA-N 0 3 359.451 2.196 20 30 FEEDHN C[C@H](C1CC1)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182620600 547523573 /nfs/dbraw/zinc/52/35/73/547523573.db2.gz DEEPZBNWZHCSCZ-BEFAXECRSA-N 0 3 358.461 2.265 20 30 FEEDHN N#Cc1ccccc1/C=C/C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183435399 547658635 /nfs/dbraw/zinc/65/86/35/547658635.db2.gz VETYOSKRKYMBPR-GLCJEOIMSA-N 0 3 361.445 2.454 20 30 FEEDHN C=CCN(CCOC)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000484553662 561299970 /nfs/dbraw/zinc/29/99/70/561299970.db2.gz FAQOREYDHHBENS-AWEZNQCLSA-N 0 3 362.239 2.462 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184278409 547799452 /nfs/dbraw/zinc/79/94/52/547799452.db2.gz SABYLHAFRNCJBO-UHFFFAOYSA-N 0 3 367.409 2.253 20 30 FEEDHN C=CCc1cc(CN[C@@H]2CCOC[C@H]2OCCOC)cc(OC)c1O ZINC000485724321 561326637 /nfs/dbraw/zinc/32/66/37/561326637.db2.gz JPLLNVOAWKBBBX-SJLPKXTDSA-N 0 3 351.443 2.039 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ncc(CCC)s2)CC1 ZINC000190456007 548325720 /nfs/dbraw/zinc/32/57/20/548325720.db2.gz YLIFDSSLSXOLDG-UHFFFAOYSA-N 0 3 350.488 2.191 20 30 FEEDHN C[C@@H](O)CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000192829777 548373825 /nfs/dbraw/zinc/37/38/25/548373825.db2.gz GUDHYZXJZMXRBQ-HUUCEWRRSA-N 0 3 356.388 2.324 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)CC1 ZINC000194608463 548504737 /nfs/dbraw/zinc/50/47/37/548504737.db2.gz KFCVCGSJGAQWHO-HZPDHXFCSA-N 0 3 358.486 2.075 20 30 FEEDHN CCN(C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000228669216 548754318 /nfs/dbraw/zinc/75/43/18/548754318.db2.gz LKJZTZQOSHSQIQ-IEBWSBKVSA-N 0 3 368.433 2.460 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000245728358 548983524 /nfs/dbraw/zinc/98/35/24/548983524.db2.gz JBPCNYVDLRBOIT-SJORKVTESA-N 0 3 367.453 2.173 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1C ZINC000245848176 549002355 /nfs/dbraw/zinc/00/23/55/549002355.db2.gz LTOBDCYZXBJNGG-GPMSIDNRSA-N 0 3 358.461 2.265 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000248796541 549503822 /nfs/dbraw/zinc/50/38/22/549503822.db2.gz JFRITXXWOXUQRN-NVXWUHKLSA-N 0 3 352.442 2.439 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261814154 549757777 /nfs/dbraw/zinc/75/77/77/549757777.db2.gz XDTFJCVPJKGRAJ-UHFFFAOYSA-N 0 3 366.465 2.238 20 30 FEEDHN CN1CCN(c2cc(CNC(=N)Nc3cc(F)ccc3F)ccn2)CC1 ZINC000262250493 549802121 /nfs/dbraw/zinc/80/21/21/549802121.db2.gz DGAKFKILGVWEQA-UHFFFAOYSA-N 0 3 360.412 2.038 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000263642501 549911783 /nfs/dbraw/zinc/91/17/83/549911783.db2.gz ADZYLMDLOXLFQC-IBGZPJMESA-N 0 3 372.513 2.327 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000264399013 549995081 /nfs/dbraw/zinc/99/50/81/549995081.db2.gz OQLDYSGUJDBXNG-UHFFFAOYSA-N 0 3 362.499 2.426 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 ZINC000264492317 549996497 /nfs/dbraw/zinc/99/64/97/549996497.db2.gz OFKAVOHDFRBCED-GOSISDBHSA-N 0 3 355.482 2.110 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(CCOC)C2)cc1OC ZINC000264562812 549997704 /nfs/dbraw/zinc/99/77/04/549997704.db2.gz RCVPARGBJIHIFF-JKNJVXJCSA-N 0 3 360.454 2.110 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000265317751 550008754 /nfs/dbraw/zinc/00/87/54/550008754.db2.gz PYFKMHDLKSJVGU-UHFFFAOYSA-N 0 3 358.829 2.351 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000265395309 550009284 /nfs/dbraw/zinc/00/92/84/550009284.db2.gz QFONYDMAJPFMNI-CYBMUJFWSA-N 0 3 360.483 2.087 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(C(=O)NCCCCC#N)CC1 ZINC000265719327 550013779 /nfs/dbraw/zinc/01/37/79/550013779.db2.gz ZXTHTHRBBCPPGU-UHFFFAOYSA-N 0 3 373.501 2.152 20 30 FEEDHN COc1ccc(CNCC2(CS(C)(=O)=O)CC2)cc1OCCCC#N ZINC000267102271 550027596 /nfs/dbraw/zinc/02/75/96/550027596.db2.gz PGLIRWRBQILQTF-UHFFFAOYSA-N 0 3 366.483 2.292 20 30 FEEDHN COCCN1CC[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267655873 550034330 /nfs/dbraw/zinc/03/43/30/550034330.db2.gz COUJHGGHOSWYAJ-MRXNPFEDSA-N 0 3 369.387 2.077 20 30 FEEDHN C=CCOc1ccc(CN(C)C[C@@H](O)COCCOC(C)C)cc1OC ZINC000271131079 550343592 /nfs/dbraw/zinc/34/35/92/550343592.db2.gz KBVMRIXCMHYZNJ-GOSISDBHSA-N 0 3 367.486 2.494 20 30 FEEDHN CN(CCC#N)C(=O)CCN(CCO)Cc1cc(Br)cs1 ZINC000494253308 561465713 /nfs/dbraw/zinc/46/57/13/561465713.db2.gz GVYZXNGTUOKKFE-UHFFFAOYSA-N 0 3 374.304 2.067 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000494315976 561466973 /nfs/dbraw/zinc/46/69/73/561466973.db2.gz SVWNBJSNQLGNKG-NJDAHSKKSA-N 0 3 371.525 2.463 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1 ZINC000272455891 550449828 /nfs/dbraw/zinc/44/98/28/550449828.db2.gz JYMAXLAEAXAMSJ-IEBWSBKVSA-N 0 3 368.481 2.266 20 30 FEEDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1=CCN(C)CC1 ZINC000272958265 550478438 /nfs/dbraw/zinc/47/84/38/550478438.db2.gz NGWHLHRQGUPDSU-YLJYHZDGSA-N 0 3 367.497 2.056 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CCN(C)C1CC1 ZINC000274451277 550538337 /nfs/dbraw/zinc/53/83/37/550538337.db2.gz FGRYTNABDJNKGA-INIZCTEOSA-N 0 3 358.486 2.356 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1=CCN(C)CC1 ZINC000276158501 550577385 /nfs/dbraw/zinc/57/73/85/550577385.db2.gz ROGLNSFJRAYNJQ-OAHLLOKOSA-N 0 3 370.453 2.074 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000278350147 550775859 /nfs/dbraw/zinc/77/58/59/550775859.db2.gz MZMWUIUFZPGXNH-UHFFFAOYSA-N 0 3 358.486 2.215 20 30 FEEDHN N#Cc1ccc(CN2CCCN(C(=O)C34CCCN3CCC4)CC2)cc1 ZINC000278606591 550803611 /nfs/dbraw/zinc/80/36/11/550803611.db2.gz LNWJPTZRNYOYKU-UHFFFAOYSA-N 0 3 352.482 2.221 20 30 FEEDHN C#CCC(CC#C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000278770313 550820153 /nfs/dbraw/zinc/82/01/53/550820153.db2.gz WYRQUJWKRWFTBH-OAQYLSRUSA-N 0 3 351.494 2.144 20 30 FEEDHN C[C@@H](N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000280238449 550973814 /nfs/dbraw/zinc/97/38/14/550973814.db2.gz BIKYSMUPCDBDRC-CJNGLKHVSA-N 0 3 364.371 2.336 20 30 FEEDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(C#N)oc1C ZINC000280753144 551028617 /nfs/dbraw/zinc/02/86/17/551028617.db2.gz MOAXMKLPHOPSQZ-HNNXBMFYSA-N 0 3 361.442 2.339 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000281012783 551055036 /nfs/dbraw/zinc/05/50/36/551055036.db2.gz HKXPFKYUGIEORK-QFBILLFUSA-N 0 3 353.422 2.073 20 30 FEEDHN C[C@](O)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000281763699 551140347 /nfs/dbraw/zinc/14/03/47/551140347.db2.gz YZLYKMGFERJPLR-UZLBHIALSA-N 0 3 351.381 2.404 20 30 FEEDHN CN1CCN(CCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1(C)C ZINC000281960120 551162983 /nfs/dbraw/zinc/16/29/83/551162983.db2.gz MVPYQNBPWDREKB-UHFFFAOYSA-N 0 3 369.513 2.258 20 30 FEEDHN COc1nnc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000282931180 551286675 /nfs/dbraw/zinc/28/66/75/551286675.db2.gz WPCIFNFTOMBHLA-UHFFFAOYSA-N 0 3 360.443 2.014 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CC(c3ccc(OC)cc3)=NO2)CC1 ZINC000283681031 551408701 /nfs/dbraw/zinc/40/87/01/551408701.db2.gz NGEQEFGWAJIIGC-GOSISDBHSA-N 0 3 372.469 2.138 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccnc1)C(C)C ZINC000284062448 551477128 /nfs/dbraw/zinc/47/71/28/551477128.db2.gz NLKUCCUFEAULST-HKUYNNGSSA-N 0 3 372.513 2.416 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(CC)Cc1ccncc1)C(C)C ZINC000284080073 551480098 /nfs/dbraw/zinc/48/00/98/551480098.db2.gz OIKHLTLCUOOWTI-LJQANCHMSA-N 0 3 372.513 2.245 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](CC)c2ccc(OC)cc2)CC1 ZINC000284153880 551493758 /nfs/dbraw/zinc/49/37/58/551493758.db2.gz NCSHXMNNDMCVCR-IBGZPJMESA-N 0 3 373.497 2.419 20 30 FEEDHN C=C(C)C[N-]C(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(CCC)cc1 ZINC000284404279 551541990 /nfs/dbraw/zinc/54/19/90/551541990.db2.gz NERKDWMKOOURGI-UHFFFAOYSA-O 0 3 358.491 2.160 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000284619841 551592042 /nfs/dbraw/zinc/59/20/42/551592042.db2.gz XYRLYKGKJZVGRY-UHFFFAOYSA-N 0 3 357.498 2.234 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000498489226 561525687 /nfs/dbraw/zinc/52/56/87/561525687.db2.gz WUQCJGAEZFPKGI-BHIYHBOVSA-N 0 3 370.497 2.443 20 30 FEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000284827193 551644436 /nfs/dbraw/zinc/64/44/36/551644436.db2.gz OQTNBZVSGNXJPH-CAUGKJMWSA-N 0 3 357.454 2.137 20 30 FEEDHN CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CCN(C)CC1 ZINC000285113310 551706514 /nfs/dbraw/zinc/70/65/14/551706514.db2.gz MTKOXHAEBJSPTL-UHFFFAOYSA-N 0 3 358.461 2.466 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000285285787 551732057 /nfs/dbraw/zinc/73/20/57/551732057.db2.gz ZOQWYRCNFRXOTJ-YLJYHZDGSA-N 0 3 370.493 2.401 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285576419 551777357 /nfs/dbraw/zinc/77/73/57/551777357.db2.gz OCIPZLCIQLUAGH-GDBMZVCRSA-N 0 3 358.360 2.077 20 30 FEEDHN CC[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(OC)c(OC)c1 ZINC000285602321 551781177 /nfs/dbraw/zinc/78/11/77/551781177.db2.gz YGTWSBIHJPVDPL-INIZCTEOSA-N 0 3 358.442 2.400 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(OCC)c2)CC1 ZINC000285619224 551784061 /nfs/dbraw/zinc/78/40/61/551784061.db2.gz ULGIPJSCTRMPOC-OAHLLOKOSA-N 0 3 359.470 2.029 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286294248 551870828 /nfs/dbraw/zinc/87/08/28/551870828.db2.gz CEHZIFIRUSXSQQ-UONOGXRCSA-N 0 3 355.360 2.380 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)CC1 ZINC000286754246 551922572 /nfs/dbraw/zinc/92/25/72/551922572.db2.gz SVPYGRURMCVSCQ-ZWKOTPCHSA-N 0 3 369.509 2.466 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(CC(C)(C)O)C2CC2)cc1 ZINC000286947826 551943628 /nfs/dbraw/zinc/94/36/28/551943628.db2.gz ADABGWXZFVZPMU-LBPRGKRZSA-N 0 3 365.455 2.140 20 30 FEEDHN C=CCN1CC[C@@H](NC(C)(C)COc2ncccc2Br)C1=O ZINC000499600034 561554416 /nfs/dbraw/zinc/55/44/16/561554416.db2.gz MUHNLDMYYTUUSW-CYBMUJFWSA-N 0 3 368.275 2.378 20 30 FEEDHN C=CCN1CC[C@H](N[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)C1=O ZINC000499601822 561554421 /nfs/dbraw/zinc/55/44/21/561554421.db2.gz FSCOHBUYDIVTFH-APWZRJJASA-N 0 3 374.504 2.405 20 30 FEEDHN C[C@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000289462186 552325251 /nfs/dbraw/zinc/32/52/51/552325251.db2.gz MDDMAVSRTSLTHZ-YJBOKZPZSA-N 0 3 370.478 2.142 20 30 FEEDHN C#CCOc1ccccc1CNC[C@@H](CO)Cc1ccc(OC)c(O)c1 ZINC000289469054 552326891 /nfs/dbraw/zinc/32/68/91/552326891.db2.gz PGXHDOKZXMRAIH-KRWDZBQOSA-N 0 3 355.434 2.354 20 30 FEEDHN C[C@](C#N)(NC(=O)CN[C@@H]1c2ccccc2CC12CCOCC2)C1CC1 ZINC000290051073 552420113 /nfs/dbraw/zinc/42/01/13/552420113.db2.gz DLEIFKUGQIVJLX-WOJBJXKFSA-N 0 3 353.466 2.479 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000500934569 561586039 /nfs/dbraw/zinc/58/60/39/561586039.db2.gz JKSAUIKOKHFJDL-CJNGLKHVSA-N 0 3 353.463 2.332 20 30 FEEDHN C#C[C@@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)C(C)(C)C ZINC000290957617 552568456 /nfs/dbraw/zinc/56/84/56/552568456.db2.gz HJPFXLWMDPBNKY-LJQANCHMSA-N 0 3 357.498 2.490 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1F ZINC000291272589 552609208 /nfs/dbraw/zinc/60/92/08/552609208.db2.gz LGTSSNIIZLLLEE-MRXNPFEDSA-N 0 3 358.417 2.113 20 30 FEEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000292947222 552773895 /nfs/dbraw/zinc/77/38/95/552773895.db2.gz AEXZYCNDKVDYMO-UHFFFAOYSA-N 0 3 365.437 2.002 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000293520657 552831935 /nfs/dbraw/zinc/83/19/35/552831935.db2.gz YWBWCULDPSIFOA-UHFFFAOYSA-N 0 3 372.494 2.430 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295115686 552960381 /nfs/dbraw/zinc/96/03/81/552960381.db2.gz JBMGDGXAHMEZQO-HKUYNNGSSA-N 0 3 374.529 2.429 20 30 FEEDHN CN(CCC(=O)N(C)CCC#N)C[C@H](O)c1ccccc1Br ZINC000295256323 552976683 /nfs/dbraw/zinc/97/66/83/552976683.db2.gz GKHWWDCBKAABBQ-HNNXBMFYSA-N 0 3 368.275 2.176 20 30 FEEDHN CC[C@@H](C)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000296143203 553111377 /nfs/dbraw/zinc/11/13/77/553111377.db2.gz RYPFMAXNUJVJNU-MRXNPFEDSA-N 0 3 366.469 2.099 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296791838 553212106 /nfs/dbraw/zinc/21/21/06/553212106.db2.gz GNUAVZGSZAJOSC-UHFFFAOYSA-N 0 3 362.499 2.408 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000502834264 561626970 /nfs/dbraw/zinc/62/69/70/561626970.db2.gz RFLZGEXKQSIRBM-RBSFLKMASA-N 0 3 374.510 2.381 20 30 FEEDHN CN(CCNC(=O)OC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000297061948 553248559 /nfs/dbraw/zinc/24/85/59/553248559.db2.gz WFSKRCRXQQDGFS-INIZCTEOSA-N 0 3 356.426 2.224 20 30 FEEDHN Cc1cc(NCCNC[C@@H](O)COc2ccc(C#N)cc2)nc(C(C)C)n1 ZINC000600764058 553312592 /nfs/dbraw/zinc/31/25/92/553312592.db2.gz WJKWYEARDZDISC-QGZVFWFLSA-N 0 3 369.469 2.222 20 30 FEEDHN CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000297977128 553365398 /nfs/dbraw/zinc/36/53/98/553365398.db2.gz YRGXRXHJDQONHD-OAHLLOKOSA-N 0 3 364.515 2.037 20 30 FEEDHN CC(C#N)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000503283528 561638857 /nfs/dbraw/zinc/63/88/57/561638857.db2.gz MZNKIVLLPHASFL-SWLSCSKDSA-N 0 3 361.243 2.318 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000298177788 553394535 /nfs/dbraw/zinc/39/45/35/553394535.db2.gz DAMIYWSXFFMGIX-UHFFFAOYSA-N 0 3 370.497 2.097 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(-n2cnnn2)cc1)C(C)C ZINC000503411405 561640685 /nfs/dbraw/zinc/64/06/85/561640685.db2.gz PJCJPEZZYFZHOI-SFHVURJKSA-N 0 3 369.473 2.482 20 30 FEEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@H]1CCNC1=O ZINC000298419107 553423040 /nfs/dbraw/zinc/42/30/40/553423040.db2.gz FUMPNMLYFFAJSL-WFASDCNBSA-N 0 3 374.510 2.284 20 30 FEEDHN N#Cc1ccc(CNC(=O)CN2CCCN(Cc3ccccc3)CC2)cc1 ZINC000298464509 553427997 /nfs/dbraw/zinc/42/79/97/553427997.db2.gz MZJFRQHEZGPORO-UHFFFAOYSA-N 0 3 362.477 2.382 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1cc(Cl)cn1 ZINC000299351828 553551664 /nfs/dbraw/zinc/55/16/64/553551664.db2.gz PKJXZEQENFALSB-UHFFFAOYSA-N 0 3 359.861 2.389 20 30 FEEDHN N#CCC[C@H](C#N)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000299590637 553585696 /nfs/dbraw/zinc/58/56/96/553585696.db2.gz SWDSYULCLIJVPQ-UXHICEINSA-N 0 3 366.513 2.359 20 30 FEEDHN CCN1CCN(CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302664304 553724536 /nfs/dbraw/zinc/72/45/36/553724536.db2.gz MFVNGNBBLYDZGR-UHFFFAOYSA-N 0 3 354.414 2.064 20 30 FEEDHN N#Cc1ccc2nc(N[C@@H]3CCCN(CCN4CCOCC4)C3)ccc2c1 ZINC000603423142 553784864 /nfs/dbraw/zinc/78/48/64/553784864.db2.gz MKSRWWRXASRWJT-LJQANCHMSA-N 0 3 365.481 2.315 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000327064717 553785766 /nfs/dbraw/zinc/78/57/66/553785766.db2.gz YJKIXSRDZUNPPR-UHFFFAOYSA-N 0 3 359.407 2.072 20 30 FEEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000328660753 553803778 /nfs/dbraw/zinc/80/37/78/553803778.db2.gz VXFOPFGLUFCTEC-RBUKOAKNSA-N 0 3 368.485 2.179 20 30 FEEDHN CN1CCN(CCNC(=O)c2cnc([C@@H]3CCCO3)s2)CC1(C)C ZINC000328717819 553811829 /nfs/dbraw/zinc/81/18/29/553811829.db2.gz PMJQVNDOWZZBBQ-ZDUSSCGKSA-N 0 3 352.504 2.325 20 30 FEEDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N1CC[C@@](F)(CO)C1 ZINC000328718254 553811845 /nfs/dbraw/zinc/81/18/45/553811845.db2.gz UYPMQAOZMJAQHJ-PBHICJAKSA-N 0 3 355.479 2.280 20 30 FEEDHN O=C(NCC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1)c1ccccn1 ZINC000328749890 553816615 /nfs/dbraw/zinc/81/66/15/553816615.db2.gz MNINWFCVTDFKPA-UHFFFAOYSA-N 0 3 370.497 2.499 20 30 FEEDHN C[C@H](C(=O)NCCc1cccs1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328846689 553831713 /nfs/dbraw/zinc/83/17/13/553831713.db2.gz VPCQYOYLVOHKIG-XLNGHYISSA-N 0 3 352.500 2.497 20 30 FEEDHN CC(=O)N1CC[C@H](CN(C)C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000329137565 553887486 /nfs/dbraw/zinc/88/74/86/553887486.db2.gz HRGPKQZZYUBOQC-GOSISDBHSA-N 0 3 373.501 2.012 20 30 FEEDHN CC(C(=O)NC1(C)Cc2ccccc2C1)S(=O)(=O)C1CCOCC1 ZINC000329186188 553897618 /nfs/dbraw/zinc/89/76/18/553897618.db2.gz PTEQWTNLISOUFY-ZDUSSCGKSA-N 0 3 351.468 2.483 20 30 FEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329204455 553901705 /nfs/dbraw/zinc/90/17/05/553901705.db2.gz YWFQSSUIXITEMU-HOTGVXAUSA-N 0 3 350.507 2.108 20 30 FEEDHN CN1CC[C@H](NC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000329297906 553920290 /nfs/dbraw/zinc/92/02/90/553920290.db2.gz UBJDRUUUQAYPKR-ZSYWTGECSA-N 0 3 359.470 2.226 20 30 FEEDHN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000329369245 553933572 /nfs/dbraw/zinc/93/35/72/553933572.db2.gz JKXNKILWBUCVFC-MLHJIOFPSA-N 0 3 364.534 2.496 20 30 FEEDHN Cc1cc(C(=O)NC[C@@]2(N(C)C)CCSC2)nn1-c1cccc(C#N)c1 ZINC000506727407 561706965 /nfs/dbraw/zinc/70/69/65/561706965.db2.gz YOYPQFQBOPQEBJ-IBGZPJMESA-N 0 3 369.494 2.220 20 30 FEEDHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000329709111 553993011 /nfs/dbraw/zinc/99/30/11/553993011.db2.gz LKUKFRWGAMXPTE-UKRRQHHQSA-N 0 3 365.499 2.223 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CCN1C ZINC000329720822 553994662 /nfs/dbraw/zinc/99/46/62/553994662.db2.gz MWJDSGPOKQINTH-RBSFLKMASA-N 0 3 373.453 2.250 20 30 FEEDHN C[C@H](NC(=O)NCCc1csc(N2CCCC2)n1)C1=CCN(C)CC1 ZINC000329718507 553995014 /nfs/dbraw/zinc/99/50/14/553995014.db2.gz YWRAJAUJUHBAPA-AWEZNQCLSA-N 0 3 363.531 2.440 20 30 FEEDHN CN(C(=O)CNC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCCC1 ZINC000329828579 554013665 /nfs/dbraw/zinc/01/36/65/554013665.db2.gz RWUFHMNJWLZHDZ-QGZVFWFLSA-N 0 3 350.507 2.252 20 30 FEEDHN CN1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CCC1=O ZINC000329823148 554013064 /nfs/dbraw/zinc/01/30/64/554013064.db2.gz ZJCZFDCECIUOLU-JJRVBVJISA-N 0 3 364.515 2.255 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)C1 ZINC000329829642 554014109 /nfs/dbraw/zinc/01/41/09/554014109.db2.gz SDXWBKFSOYJPGK-HLLBOEOZSA-N 0 3 374.460 2.261 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CSc1nnnn1C1CCCC1 ZINC000329846345 554017724 /nfs/dbraw/zinc/01/77/24/554017724.db2.gz QRBWFCBXTMHCMJ-RISCZKNCSA-N 0 3 350.492 2.320 20 30 FEEDHN O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCC[C@@H](CN2CCCCCC2)C1 ZINC000329864490 554021217 /nfs/dbraw/zinc/02/12/17/554021217.db2.gz ZRZHEFUEJIZRKJ-IRXDYDNUSA-N 0 3 371.547 2.066 20 30 FEEDHN CCO[C@@H]1C[C@@H](NC(=O)N2CCCN(C(C)C)CC2)C12CCOCC2 ZINC000329915941 554030993 /nfs/dbraw/zinc/03/09/93/554030993.db2.gz DKUGEVNMJYJLGS-IAGOWNOFSA-N 0 3 353.507 2.291 20 30 FEEDHN O=C(NC1CCN(C2CC2)CC1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330006765 554048440 /nfs/dbraw/zinc/04/84/40/554048440.db2.gz DBEBQGSYOZPVIW-UHFFFAOYSA-N 0 3 372.517 2.335 20 30 FEEDHN CCN(C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000330007666 554048448 /nfs/dbraw/zinc/04/84/48/554048448.db2.gz DTSXMVSZPBIOOH-RTBURBONSA-N 0 3 358.486 2.118 20 30 FEEDHN O=C(Cn1cc(NC(=O)N2CCN3CCC[C@H]3C2)cn1)NC1CCCC1 ZINC000330008452 554048455 /nfs/dbraw/zinc/04/84/55/554048455.db2.gz FLMPHEBFLYOXAF-INIZCTEOSA-N 0 3 360.462 2.108 20 30 FEEDHN CCN1CCC(N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000330031271 554052047 /nfs/dbraw/zinc/05/20/47/554052047.db2.gz SXRDIQMXRPCBEO-UHFFFAOYSA-N 0 3 359.474 2.014 20 30 FEEDHN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000330058412 554056633 /nfs/dbraw/zinc/05/66/33/554056633.db2.gz YXMSTQVGUWOICT-KRWDZBQOSA-N 0 3 362.503 2.068 20 30 FEEDHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330128410 554069873 /nfs/dbraw/zinc/06/98/73/554069873.db2.gz NOQTVOFYRDCWLB-ATZDWAIDSA-N 0 3 370.497 2.072 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CCn2ccnc2C1 ZINC000330168685 554077523 /nfs/dbraw/zinc/07/75/23/554077523.db2.gz AYYJVWKJSCYGED-OAHLLOKOSA-N 0 3 363.531 2.063 20 30 FEEDHN CS(=O)(=O)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2C2CCCCC2)C1 ZINC000330170500 554077703 /nfs/dbraw/zinc/07/77/03/554077703.db2.gz BTDOQOUEKIXRAR-WBVHZDCISA-N 0 3 371.547 2.064 20 30 FEEDHN CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@@H](N4CCCCC4)C3)c2C1 ZINC000330177984 554078930 /nfs/dbraw/zinc/07/89/30/554078930.db2.gz LFXBVYCIDIPCFC-IAGOWNOFSA-N 0 3 373.501 2.122 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000330238509 554091006 /nfs/dbraw/zinc/09/10/06/554091006.db2.gz HXLWXRVPWFUIHZ-BASYENTBSA-N 0 3 361.490 2.016 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)CCN1C ZINC000330257979 554094705 /nfs/dbraw/zinc/09/47/05/554094705.db2.gz RAMBWVLPFHNGLD-NUJGCVRESA-N 0 3 353.507 2.433 20 30 FEEDHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)C1 ZINC000330261556 554095507 /nfs/dbraw/zinc/09/55/07/554095507.db2.gz PELKIBCEVJBKAY-LSDHHAIUSA-N 0 3 350.438 2.462 20 30 FEEDHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000330416546 554118732 /nfs/dbraw/zinc/11/87/32/554118732.db2.gz BAVKENBSVFKKGF-SJORKVTESA-N 0 3 352.523 2.117 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000330489375 554128287 /nfs/dbraw/zinc/12/82/87/554128287.db2.gz KKKKSUAAVROHPU-KFWWJZLASA-N 0 3 367.490 2.483 20 30 FEEDHN COc1c(NC(=O)N2CC[C@H](N(C)C)C2)cc(Cl)cc1C(=O)N(C)C ZINC000330578391 554140982 /nfs/dbraw/zinc/14/09/82/554140982.db2.gz RZCHRRGVXYIYKF-LBPRGKRZSA-N 0 3 368.865 2.232 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000330663114 554153531 /nfs/dbraw/zinc/15/35/31/554153531.db2.gz UUWOTYVHAXGNOI-JKSUJKDBSA-N 0 3 350.507 2.320 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)CN3CCC[C@@H](C)C3)cc2C1=O ZINC000508312287 561758555 /nfs/dbraw/zinc/75/85/55/561758555.db2.gz DEIKHNQZDSXXNY-CABCVRRESA-N 0 3 369.465 2.319 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000508319833 561758771 /nfs/dbraw/zinc/75/87/71/561758771.db2.gz QYDSOHANXFHYHL-IBGZPJMESA-N 0 3 372.513 2.104 20 30 FEEDHN CCNC(=O)[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000330936749 554191157 /nfs/dbraw/zinc/19/11/57/554191157.db2.gz SYUYGCOUGWSTMF-YDHLFZDLSA-N 0 3 352.504 2.159 20 30 FEEDHN C=CCn1c(C)nnc1N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000508706885 561770348 /nfs/dbraw/zinc/77/03/48/561770348.db2.gz RIOUDJYJCSKFRF-FUHWJXTLSA-N 0 3 357.506 2.415 20 30 FEEDHN Cc1cc(NC(=O)NCCN2CCN(C)C(C)(C)C2)c(C#N)cc1N(C)C ZINC000331250722 554236473 /nfs/dbraw/zinc/23/64/73/554236473.db2.gz ZWAGTXDHXFAOCK-UHFFFAOYSA-N 0 3 372.517 2.285 20 30 FEEDHN Cc1cc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)ncc1C#N ZINC000332100296 554380441 /nfs/dbraw/zinc/38/04/41/554380441.db2.gz DWSWPABYGYBWAH-HZPDHXFCSA-N 0 3 356.470 2.223 20 30 FEEDHN CN1CCN(CC2(C)CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000332116460 554383730 /nfs/dbraw/zinc/38/37/30/554383730.db2.gz KEDUKKSAJKIDPS-LJQANCHMSA-N 0 3 369.513 2.484 20 30 FEEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000510097290 561824770 /nfs/dbraw/zinc/82/47/70/561824770.db2.gz ATPPGNBAQWZATN-KRWDZBQOSA-N 0 3 366.531 2.309 20 30 FEEDHN C[C@@H]1COCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000510616492 561840931 /nfs/dbraw/zinc/84/09/31/561840931.db2.gz OPCPXEAWRZQOFY-APWZRJJASA-N 0 3 358.486 2.304 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000333357290 554605695 /nfs/dbraw/zinc/60/56/95/554605695.db2.gz STXDJDUNYDQGSQ-OAHLLOKOSA-N 0 3 361.877 2.137 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)Cc2c(F)cccc2C#N)c1 ZINC000511496139 561870955 /nfs/dbraw/zinc/87/09/55/561870955.db2.gz PMUSJXQIKILQOQ-UHFFFAOYSA-N 0 3 355.413 2.497 20 30 FEEDHN CS(=O)(=O)N1CCC[C@H](CN2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000362107619 554950803 /nfs/dbraw/zinc/95/08/03/554950803.db2.gz XBZJQPRQKKONIF-QGZVFWFLSA-N 0 3 359.495 2.319 20 30 FEEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)CC1 ZINC000362880990 554995493 /nfs/dbraw/zinc/99/54/93/554995493.db2.gz QWLXTIQPCRTPLK-UHFFFAOYSA-N 0 3 369.509 2.333 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(NC(=O)c3ccc[nH]3)CC2)cc1 ZINC000363121218 555034940 /nfs/dbraw/zinc/03/49/40/555034940.db2.gz XRRDFEHQKJVUIK-UHFFFAOYSA-N 0 3 365.437 2.109 20 30 FEEDHN C[C@@H](NC(C)(C)CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000363129236 555036928 /nfs/dbraw/zinc/03/69/28/555036928.db2.gz DEZVTDFJVBOFOH-APWZRJJASA-N 0 3 369.513 2.498 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000512160597 561894623 /nfs/dbraw/zinc/89/46/23/561894623.db2.gz YETAEYMHAZCPJB-UHFFFAOYSA-N 0 3 361.461 2.366 20 30 FEEDHN Cc1cc(CN2CCC(N(C)CC(=O)Nc3ccc(C#N)cc3)CC2)on1 ZINC000364193991 555267182 /nfs/dbraw/zinc/26/71/82/555267182.db2.gz ZTOACSIFHGMZJQ-UHFFFAOYSA-N 0 3 367.453 2.390 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000365222019 555515076 /nfs/dbraw/zinc/51/50/76/555515076.db2.gz JQICTYHTJAYSKC-CVEARBPZSA-N 0 3 364.490 2.080 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CCCN(C)C3)C2)n1 ZINC000365768520 555663088 /nfs/dbraw/zinc/66/30/88/555663088.db2.gz HAMFLEXAHIAGHJ-ZWKOTPCHSA-N 0 3 355.486 2.031 20 30 FEEDHN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000365944424 555707709 /nfs/dbraw/zinc/70/77/09/555707709.db2.gz ZALINRBBLHFXPS-MRXNPFEDSA-N 0 3 358.417 2.113 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2CCS(C)(=O)=O)CC1 ZINC000366177764 555773394 /nfs/dbraw/zinc/77/33/94/555773394.db2.gz LASURTBANQQSLO-KRWDZBQOSA-N 0 3 371.547 2.026 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCN(c3ncccn3)CC2)cc1 ZINC000366227067 555786972 /nfs/dbraw/zinc/78/69/72/555786972.db2.gz GAUOLAPLHRIVAL-LJQANCHMSA-N 0 3 374.448 2.063 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](CC)O[C@]3(CCCOC3)C2)CC1 ZINC000366303422 555806846 /nfs/dbraw/zinc/80/68/46/555806846.db2.gz GGRZDYWGLHEVEN-IEBWSBKVSA-N 0 3 351.491 2.006 20 30 FEEDHN CCCC(=O)N1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000366328101 555812892 /nfs/dbraw/zinc/81/28/92/555812892.db2.gz QALLTSOTJHJANJ-SFHVURJKSA-N 0 3 352.438 2.102 20 30 FEEDHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)c2ccccc2O1 ZINC000366625230 555894009 /nfs/dbraw/zinc/89/40/09/555894009.db2.gz TUOOERJIWNEHRK-LBPRGKRZSA-N 0 3 363.464 2.138 20 30 FEEDHN N#Cc1ccc(S(N)(=O)=O)cc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000366818169 555942475 /nfs/dbraw/zinc/94/24/75/555942475.db2.gz JUDARKSXZAVEOF-QGZVFWFLSA-N 0 3 370.478 2.282 20 30 FEEDHN C=CCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000367199127 556003540 /nfs/dbraw/zinc/00/35/40/556003540.db2.gz AZADMSWONBZXED-SFHVURJKSA-N 0 3 366.465 2.289 20 30 FEEDHN C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000367436885 556048595 /nfs/dbraw/zinc/04/85/95/556048595.db2.gz TVVGIJAWFBRXHI-GDBMZVCRSA-N 0 3 372.904 2.322 20 30 FEEDHN Cc1cc(S(=O)(=O)N2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000367686062 556114301 /nfs/dbraw/zinc/11/43/01/556114301.db2.gz IMWNVFJPHYQQTD-MSOLQXFVSA-N 0 3 359.426 2.121 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC3CCC2CC3)CC1 ZINC000367763316 556132595 /nfs/dbraw/zinc/13/25/95/556132595.db2.gz KUHHFVHYUYVFMO-OFLPRAFFSA-N 0 3 358.511 2.331 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000368086386 556214795 /nfs/dbraw/zinc/21/47/95/556214795.db2.gz XBMCINGQQMCYQV-IAGOWNOFSA-N 0 3 371.462 2.294 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000368925304 556449705 /nfs/dbraw/zinc/44/97/05/556449705.db2.gz QZXZJIOLVQXVMN-RTWAWAEBSA-N 0 3 360.498 2.311 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCNc2cc(C)nc(C(C)C)n2)CC1 ZINC000623635116 556459924 /nfs/dbraw/zinc/45/99/24/556459924.db2.gz VLAHOIPYHKXPCP-UHFFFAOYSA-N 0 3 360.506 2.270 20 30 FEEDHN N#Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)sc2c1CCC2 ZINC000368967204 556461843 /nfs/dbraw/zinc/46/18/43/556461843.db2.gz VSWNDAPZHKTZLW-PRXAMGSTSA-N 0 3 372.494 2.023 20 30 FEEDHN COc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1C#N ZINC000515834015 562023128 /nfs/dbraw/zinc/02/31/28/562023128.db2.gz KHOPARARQCJFNR-INIZCTEOSA-N 0 3 357.366 2.005 20 30 FEEDHN N#C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCN1C1CC1 ZINC000369219257 556539278 /nfs/dbraw/zinc/53/92/78/556539278.db2.gz NHSPHUHZUXTWPY-IAGOWNOFSA-N 0 3 373.526 2.267 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCN(c3ncccn3)CC2)CC1 ZINC000369309655 556571118 /nfs/dbraw/zinc/57/11/18/556571118.db2.gz ZMPJBIUJUMORKI-UHFFFAOYSA-N 0 3 372.517 2.127 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2c3ccccc3CC[C@H]2CO)cc1 ZINC000369557989 556630873 /nfs/dbraw/zinc/63/08/73/556630873.db2.gz BQGVTYXEBQNBGT-UEXGIBASSA-N 0 3 352.434 2.184 20 30 FEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000369803740 556699778 /nfs/dbraw/zinc/69/97/78/556699778.db2.gz OBAYJNIHCXZWIS-LJQANCHMSA-N 0 3 362.433 2.230 20 30 FEEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCN(c2cccnn2)CC1 ZINC000370434431 556872036 /nfs/dbraw/zinc/87/20/36/556872036.db2.gz RFSKRQHIRIWHHF-UHFFFAOYSA-N 0 3 370.501 2.062 20 30 FEEDHN Cc1nnc([C@H]2CC23CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC3)o1 ZINC000370812450 556975963 /nfs/dbraw/zinc/97/59/63/556975963.db2.gz VVMOWCGRRCSRMQ-SJLPKXTDSA-N 0 3 368.437 2.259 20 30 FEEDHN N#Cc1cccc(F)c1CC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000517252207 562082872 /nfs/dbraw/zinc/08/28/72/562082872.db2.gz MMECWUJSKYPKSB-GOSISDBHSA-N 0 3 367.424 2.123 20 30 FEEDHN Cc1cc(=NC(=O)NC2CCN(Cc3ccccc3)CC2)[nH]n1CCC#N ZINC000371318147 557143725 /nfs/dbraw/zinc/14/37/25/557143725.db2.gz VCKGRQVDXGFMCS-UHFFFAOYSA-N 0 3 366.469 2.891 20 30 FEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000517375345 562087656 /nfs/dbraw/zinc/08/76/56/562087656.db2.gz UZMKTAIERDQZLT-YOEHRIQHSA-N 0 3 371.462 2.284 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000518103646 562104616 /nfs/dbraw/zinc/10/46/16/562104616.db2.gz QFJHPZQQRRAYQN-UXHICEINSA-N 0 3 373.497 2.176 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000371609051 557238880 /nfs/dbraw/zinc/23/88/80/557238880.db2.gz UGQVQQDIRFXXFH-IXDOHACOSA-N 0 3 372.469 2.430 20 30 FEEDHN COCC[C@H](Cc1ccco1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000518966520 562121968 /nfs/dbraw/zinc/12/19/68/562121968.db2.gz QKPTVFZBTQCOQK-MRXNPFEDSA-N 0 3 362.451 2.162 20 30 FEEDHN CC(C)c1ccccc1OC[C@H](O)CN1CCC(n2cnc(C#N)n2)CC1 ZINC000373407265 557688230 /nfs/dbraw/zinc/68/82/30/557688230.db2.gz UBBSCPYXLAGWIY-QGZVFWFLSA-N 0 3 369.469 2.350 20 30 FEEDHN CC(C)c1ccccc1OC[C@@H](O)CN1CCC(n2cnc(C#N)n2)CC1 ZINC000373407262 557688328 /nfs/dbraw/zinc/68/83/28/557688328.db2.gz UBBSCPYXLAGWIY-KRWDZBQOSA-N 0 3 369.469 2.350 20 30 FEEDHN C=CCN(C(=O)NCc1noc(C)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373503466 557706247 /nfs/dbraw/zinc/70/62/47/557706247.db2.gz DRSZRLJHSTWBAY-QGZVFWFLSA-N 0 3 355.442 2.350 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000373848541 557772545 /nfs/dbraw/zinc/77/25/45/557772545.db2.gz CRSSETJEPBTZFD-SJORKVTESA-N 0 3 358.401 2.483 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000520693850 562161857 /nfs/dbraw/zinc/16/18/57/562161857.db2.gz YPEPHHFMJNHOHJ-UHFFFAOYSA-N 0 3 362.430 2.443 20 30 FEEDHN C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C[C@H](C)O2 ZINC000374016769 557808208 /nfs/dbraw/zinc/80/82/08/557808208.db2.gz GGTSOJXLWPZEDH-NNNWTRQLSA-N 0 3 367.449 2.426 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000374307719 557862907 /nfs/dbraw/zinc/86/29/07/557862907.db2.gz IGHOHYZXQNQWOH-MSOLQXFVSA-N 0 3 365.433 2.160 20 30 FEEDHN Cc1nnc([C@@H]2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574537 562179010 /nfs/dbraw/zinc/17/90/10/562179010.db2.gz NBQWXYJUZWOQPG-GDBMZVCRSA-N 0 3 352.442 2.238 20 30 FEEDHN C[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000376107511 558127909 /nfs/dbraw/zinc/12/79/09/558127909.db2.gz UKRXJLFUSLSOPF-KSSFIOAISA-N 0 3 360.889 2.310 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CN1C1CC1 ZINC000376220075 558143450 /nfs/dbraw/zinc/14/34/50/558143450.db2.gz HTHWBDYVSYYHTN-VNQPRFMTSA-N 0 3 356.445 2.265 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000376578927 558193151 /nfs/dbraw/zinc/19/31/51/558193151.db2.gz DOESJULNPRESID-CVEARBPZSA-N 0 3 357.502 2.265 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000376631948 558200284 /nfs/dbraw/zinc/20/02/84/558200284.db2.gz YEZXJUYIMCFACL-RLCCDNCMSA-N 0 3 363.439 2.061 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000377211335 558289663 /nfs/dbraw/zinc/28/96/63/558289663.db2.gz CSRXJRUBEBMTBU-HKBOAZHASA-N 0 3 369.509 2.252 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000377239773 558296324 /nfs/dbraw/zinc/29/63/24/558296324.db2.gz RJXOZAWZLVHPFM-RTWAWAEBSA-N 0 3 368.525 2.042 20 30 FEEDHN C#CCC(CC#C)C(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000377278888 558305094 /nfs/dbraw/zinc/30/50/94/558305094.db2.gz DXXSPGCGQRJSBN-AZUAARDMSA-N 0 3 354.498 2.314 20 30 FEEDHN Cc1noc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000522440952 562198580 /nfs/dbraw/zinc/19/85/80/562198580.db2.gz HTOONGYTUGILFO-ZDUSSCGKSA-N 0 3 356.430 2.084 20 30 FEEDHN N#C[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCN1C1CC1 ZINC000377666186 558390920 /nfs/dbraw/zinc/39/09/20/558390920.db2.gz CZMHXQXLTHALBP-HXUWFJFHSA-N 0 3 352.482 2.097 20 30 FEEDHN C#CCOc1ccc(CN2C[C@@H]3CN(Cc4noc(CC)n4)C[C@@H]3C2)cc1 ZINC000378354143 558537357 /nfs/dbraw/zinc/53/73/57/558537357.db2.gz YYRQJSJYXMRJSH-HDICACEKSA-N 0 3 366.465 2.208 20 30 FEEDHN CCN1CCCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000408287610 558664276 /nfs/dbraw/zinc/66/42/76/558664276.db2.gz SNSIFEFOPMPAKO-GOSISDBHSA-N 0 3 355.486 2.032 20 30 FEEDHN N#Cc1cccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000524976941 562238861 /nfs/dbraw/zinc/23/88/61/562238861.db2.gz IVZIFSBEOOCBEC-HXUWFJFHSA-N 0 3 350.422 2.317 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000411637136 558933282 /nfs/dbraw/zinc/93/32/82/558933282.db2.gz FNJQKGPQPYWEOR-UHFFFAOYSA-N 0 3 358.486 2.192 20 30 FEEDHN CN1CCC(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000525846372 562257227 /nfs/dbraw/zinc/25/72/27/562257227.db2.gz HAXOZYJYLKCOBJ-UHFFFAOYSA-N 0 3 357.458 2.037 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC2(CO)C3CC4CC(C3)CC2C4)c1 ZINC000412001565 559001199 /nfs/dbraw/zinc/00/11/99/559001199.db2.gz HCVZCTKFLBGACH-UHFFFAOYSA-N 0 3 374.506 2.109 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](c3n[nH]c(C)n3)C2)c(OC)c1 ZINC000412028062 559004058 /nfs/dbraw/zinc/00/40/58/559004058.db2.gz MPGOSUWKLRUISX-SJORKVTESA-N 0 3 372.469 2.079 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](c3nc(C)n[nH]3)C2)c(OC)c1 ZINC000412028062 559004060 /nfs/dbraw/zinc/00/40/60/559004060.db2.gz MPGOSUWKLRUISX-SJORKVTESA-N 0 3 372.469 2.079 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](c3nnc(C)[nH]3)C2)c(OC)c1 ZINC000412028062 559004061 /nfs/dbraw/zinc/00/40/61/559004061.db2.gz MPGOSUWKLRUISX-SJORKVTESA-N 0 3 372.469 2.079 20 30 FEEDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000414465138 559166145 /nfs/dbraw/zinc/16/61/45/559166145.db2.gz PMGDNMLMTCOLOE-KBPBESRZSA-N 0 3 372.288 2.082 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527103191 562276620 /nfs/dbraw/zinc/27/66/20/562276620.db2.gz QXUCXJDFZVSEHN-LXPRWKDFSA-N 0 3 371.485 2.427 20 30 FEEDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415426017 559235109 /nfs/dbraw/zinc/23/51/09/559235109.db2.gz LAOGADBSXWZWII-LLVKDONJSA-N 0 3 350.488 2.345 20 30 FEEDHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NCCC(C)(C)C#N)C1=O ZINC000527193837 562279573 /nfs/dbraw/zinc/27/95/73/562279573.db2.gz YJUJSMKJJCSMFF-LSDHHAIUSA-N 0 3 351.491 2.483 20 30 FEEDHN C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CNCCO1 ZINC000415808056 559273325 /nfs/dbraw/zinc/27/33/25/559273325.db2.gz RRWATWDEDLBEND-LBPRGKRZSA-N 0 3 370.247 2.124 20 30 FEEDHN CN1CCC[C@@H](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000416563685 559322124 /nfs/dbraw/zinc/32/21/24/559322124.db2.gz YLFSZNGLYGKRAE-AWEZNQCLSA-N 0 3 355.891 2.416 20 30 FEEDHN C=CC[C@@H]1N(C(=O)C(=O)NCc2ccc3c(c2)CNC3)CCCC1(C)C ZINC000420106809 559473042 /nfs/dbraw/zinc/47/30/42/559473042.db2.gz VDVVALMXVSBMBO-SFHVURJKSA-N 0 3 355.482 2.499 20 30 FEEDHN COC1([C@@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOCC1 ZINC000421036555 559521262 /nfs/dbraw/zinc/52/12/62/559521262.db2.gz QKNLSUKCBBMDTD-GFCCVEGCSA-N 0 3 351.834 2.324 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCCC3)CC1 ZINC000421202341 559530729 /nfs/dbraw/zinc/53/07/29/559530729.db2.gz QJSVJBLRXLSBTN-UHFFFAOYSA-N 0 3 369.465 2.301 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000421528554 559544564 /nfs/dbraw/zinc/54/45/64/559544564.db2.gz ZTNIOYZGNXQPOT-IBGZPJMESA-N 0 3 357.498 2.138 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000422533403 559593409 /nfs/dbraw/zinc/59/34/09/559593409.db2.gz XCIKRXXOLZZZRS-RBUKOAKNSA-N 0 3 357.498 2.090 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423130715 559620234 /nfs/dbraw/zinc/62/02/34/559620234.db2.gz YRWMCUJPYKVTSB-VQTJNVASSA-N 0 3 363.461 2.155 20 30 FEEDHN N#CCCC[C@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424066423 559653386 /nfs/dbraw/zinc/65/33/86/559653386.db2.gz NGUCDCHAXCSIBC-NSHDSACASA-N 0 3 373.335 2.163 20 30 FEEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccc(Br)cc1 ZINC000424124168 559655541 /nfs/dbraw/zinc/65/55/41/559655541.db2.gz LZOSPLQEKJJWJS-BXUZGUMPSA-N 0 3 354.248 2.354 20 30 FEEDHN C=CCn1c([C@H]2CCCS2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000424131155 559655568 /nfs/dbraw/zinc/65/55/68/559655568.db2.gz VYEHZHXTCCXQFK-MRXNPFEDSA-N 0 3 363.531 2.333 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000424181347 559656998 /nfs/dbraw/zinc/65/69/98/559656998.db2.gz CAASGDHHPSJSHH-VXGBXAGGSA-N 0 3 356.195 2.159 20 30 FEEDHN CC(C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)S(C)(=O)=O ZINC000425090682 559686862 /nfs/dbraw/zinc/68/68/62/559686862.db2.gz VINJAKCZDVPZIW-WDEREUQCSA-N 0 3 362.373 2.379 20 30 FEEDHN C=CCn1cc(CNC(=O)NCC2CCN(Cc3cccs3)CC2)nn1 ZINC000425436028 559702385 /nfs/dbraw/zinc/70/23/85/559702385.db2.gz VMPSZZNGNKHFAM-UHFFFAOYSA-N 0 3 374.514 2.237 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)nn1 ZINC000425514745 559707236 /nfs/dbraw/zinc/70/72/36/559707236.db2.gz VHGKTHKDAISVFC-HXUWFJFHSA-N 0 3 368.485 2.318 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425562781 559709958 /nfs/dbraw/zinc/70/99/58/559709958.db2.gz HICNQQUAIKQXFC-HAGHYFMRSA-N 0 3 355.482 2.493 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2sc(CC)nc2C)CC1 ZINC000426703856 559740532 /nfs/dbraw/zinc/74/05/32/559740532.db2.gz OCFJIHFJZPPYDT-UHFFFAOYSA-N 0 3 350.488 2.109 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000428999106 559787908 /nfs/dbraw/zinc/78/79/08/559787908.db2.gz LKCVUXXTSSLBAE-ZHALLVOQSA-N 0 3 367.511 2.100 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)NCC2(CC#N)CC2)CC1 ZINC000430171206 559814719 /nfs/dbraw/zinc/81/47/19/559814719.db2.gz NVYWDGUNOMGWGW-UHFFFAOYSA-N 0 3 369.513 2.317 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)NCC3(CC#N)CC3)cc2)CC1 ZINC000430175380 559814870 /nfs/dbraw/zinc/81/48/70/559814870.db2.gz ZJKYPCAUZDJZQZ-UHFFFAOYSA-N 0 3 369.513 2.317 20 30 FEEDHN N#CCC1(CNC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)CC1 ZINC000430911182 559830073 /nfs/dbraw/zinc/83/00/73/559830073.db2.gz GKPBVILAIYACJV-GOSISDBHSA-N 0 3 356.470 2.136 20 30 FEEDHN COCCN(C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCSC1 ZINC000433193388 559873263 /nfs/dbraw/zinc/87/32/63/559873263.db2.gz QCOYCDGUIQMXPC-IAGOWNOFSA-N 0 3 350.484 2.142 20 30 FEEDHN N#Cc1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000437648094 559967268 /nfs/dbraw/zinc/96/72/68/559967268.db2.gz FUNMMPKZSOVEBZ-HNNXBMFYSA-N 0 3 351.397 2.314 20 30 FEEDHN CCC(CC)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)N(C)C ZINC000440076115 560004335 /nfs/dbraw/zinc/00/43/35/560004335.db2.gz JQRVKSKQVOSFBG-HNNXBMFYSA-N 0 3 368.459 2.111 20 30 FEEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(NC(=O)CCN3CCOCC3)c2)C1 ZINC000442717992 560055123 /nfs/dbraw/zinc/05/51/23/560055123.db2.gz PMPRJTGVCITJKM-SJLPKXTDSA-N 0 3 356.470 2.129 20 30 FEEDHN Cc1cc(CNCc2cccc(C(=O)NCCN(C)C)c2)ccc1C#N ZINC000443976917 560098097 /nfs/dbraw/zinc/09/80/97/560098097.db2.gz BSMXXPSOKABOFW-UHFFFAOYSA-N 0 3 350.466 2.448 20 30 FEEDHN COc1ccc([C@H](CNC(=O)Cc2ccc(C#N)nc2)N2CCCC2)cc1 ZINC000527669694 562299555 /nfs/dbraw/zinc/29/95/55/562299555.db2.gz KGIWISPDDYGPLC-FQEVSTJZSA-N 0 3 364.449 2.458 20 30 FEEDHN Cn1cc(CN2CCC3(CCN(C)C3=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000447059748 560155601 /nfs/dbraw/zinc/15/56/01/560155601.db2.gz YMEYUYMHXVCPJY-UHFFFAOYSA-N 0 3 363.465 2.403 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448601767 560192238 /nfs/dbraw/zinc/19/22/38/560192238.db2.gz XESFSEONGHBVGX-GOEBONIOSA-N 0 3 374.872 2.165 20 30 FEEDHN CN(C(=O)COc1ccc(C#N)c(Br)c1)C1CCN(C)CC1 ZINC000449039864 560213936 /nfs/dbraw/zinc/21/39/36/560213936.db2.gz DVWWYCICVJDFHE-UHFFFAOYSA-N 0 3 366.259 2.252 20 30 FEEDHN C=CCOc1ccc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)cc1OC ZINC000449696975 560237265 /nfs/dbraw/zinc/23/72/65/560237265.db2.gz KVKLPSQJRCWVSS-GOSISDBHSA-N 0 3 373.497 2.046 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000449833937 560241760 /nfs/dbraw/zinc/24/17/60/560241760.db2.gz JDJPXFFMZDGWSA-GFCCVEGCSA-N 0 3 366.259 2.252 20 30 FEEDHN CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCCN(C)C1 ZINC000449943885 560246042 /nfs/dbraw/zinc/24/60/42/560246042.db2.gz DFXURPOPIXAWSU-CYBMUJFWSA-N 0 3 366.259 2.252 20 30 FEEDHN C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCN1C ZINC000450559067 560266157 /nfs/dbraw/zinc/26/61/57/560266157.db2.gz XJUKLYHBRHYKMI-IFIJOSMWSA-N 0 3 374.872 2.163 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451903653 560336159 /nfs/dbraw/zinc/33/61/59/560336159.db2.gz JNULCSXGTASVIP-INMHGKMJSA-N 0 3 359.388 2.400 20 30 FEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000453422773 560386403 /nfs/dbraw/zinc/38/64/03/560386403.db2.gz BCPBJXRZEVUKJX-INIZCTEOSA-N 0 3 370.457 2.046 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453430565 560386462 /nfs/dbraw/zinc/38/64/62/560386462.db2.gz DKDUXLVAHGYILU-CVEARBPZSA-N 0 3 351.495 2.109 20 30 FEEDHN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(C)C)CC1 ZINC000453452376 560387133 /nfs/dbraw/zinc/38/71/33/560387133.db2.gz SYHRQFRKROTLRB-MRXNPFEDSA-N 0 3 351.495 2.109 20 30 FEEDHN CCN(CCNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 ZINC000453648953 560393393 /nfs/dbraw/zinc/39/33/93/560393393.db2.gz UGVCUEPLDUCMIP-UHFFFAOYSA-N 0 3 372.469 2.275 20 30 FEEDHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453691154 560397114 /nfs/dbraw/zinc/39/71/14/560397114.db2.gz JEBDYFCVMHAALZ-AWEZNQCLSA-N 0 3 362.861 2.287 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C1=CCN(C)CC1 ZINC000453753873 560401757 /nfs/dbraw/zinc/40/17/57/560401757.db2.gz KVTDLONBUNQOCZ-GFCCVEGCSA-N 0 3 360.845 2.111 20 30 FEEDHN C=C(C)CCNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000453894427 560411306 /nfs/dbraw/zinc/41/13/06/560411306.db2.gz RTMGSPRCYXREFF-UHFFFAOYSA-N 0 3 353.850 2.301 20 30 FEEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000454032503 560423574 /nfs/dbraw/zinc/42/35/74/560423574.db2.gz HALCUJBJJFDRQP-UHFFFAOYSA-N 0 3 368.412 2.322 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCN1CCCC1(C)C ZINC000454070959 560426750 /nfs/dbraw/zinc/42/67/50/560426750.db2.gz QOXSPVJPUOQANL-UHFFFAOYSA-N 0 3 359.474 2.044 20 30 FEEDHN CN(C)CCn1nccc1NC(=O)NCCSCc1ccccc1C#N ZINC000455668696 560491287 /nfs/dbraw/zinc/49/12/87/560491287.db2.gz MGEWNXLHFFHIFM-UHFFFAOYSA-N 0 3 372.498 2.371 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000459863862 560714609 /nfs/dbraw/zinc/71/46/09/560714609.db2.gz PEZUMCUQRWGOJX-CYBMUJFWSA-N 0 3 369.918 2.469 20 30 FEEDHN COC(=O)[C@H](Nc1cccc(CN2CC[C@H](O)C2)c1)c1cccc(C#N)c1 ZINC000461098378 560761318 /nfs/dbraw/zinc/76/13/18/560761318.db2.gz OVFJCVBGLZARGZ-VQTJNVASSA-N 0 3 365.433 2.451 20 30 FEEDHN CN(CCOc1ccc(C#N)cc1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470818450 560990623 /nfs/dbraw/zinc/99/06/23/560990623.db2.gz YIPLDFHWHUAAOC-ROUUACIJSA-N 0 3 369.444 2.271 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc(-c3ccncc3)no2)cc1 ZINC000470967764 560995448 /nfs/dbraw/zinc/99/54/48/560995448.db2.gz MTIXORMJEOCNTB-MRXNPFEDSA-N 0 3 358.361 2.002 20 30 FEEDHN CN(Cc1nc(-c2cccnc2)no1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472090026 561017623 /nfs/dbraw/zinc/01/76/23/561017623.db2.gz JQVSUDVSKSXGRI-QGZVFWFLSA-N 0 3 372.388 2.344 20 30 FEEDHN COC(=O)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000472207680 561021081 /nfs/dbraw/zinc/02/10/81/561021081.db2.gz LCEAIEDJCZSSDT-OALUTQOASA-N 0 3 361.401 2.314 20 30 FEEDHN C=CCN(C(=O)CN1CCC(C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000474701209 561080823 /nfs/dbraw/zinc/08/08/23/561080823.db2.gz DFUXCWXKKMVMOI-QGZVFWFLSA-N 0 3 368.485 2.470 20 30 FEEDHN Cn1ncc(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)c1C#N ZINC000474959543 561086251 /nfs/dbraw/zinc/08/62/51/561086251.db2.gz HJNCKARHPDHPTC-LJQANCHMSA-N 0 3 365.481 2.495 20 30 FEEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cnn(C)c1C#N ZINC000476210797 561113326 /nfs/dbraw/zinc/11/33/26/561113326.db2.gz ZENWOIAZBQMUMF-KRWDZBQOSA-N 0 3 351.454 2.276 20 30 FEEDHN COc1cc(OC)cc(N2CCCN(C[C@H](O)CC3(C#N)CC3)CC2)c1 ZINC000528406033 562327413 /nfs/dbraw/zinc/32/74/13/562327413.db2.gz SANXPBRPLFIKOM-QGZVFWFLSA-N 0 3 359.470 2.271 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(CN2CCCCC2=O)CC1 ZINC000528417471 562328203 /nfs/dbraw/zinc/32/82/03/562328203.db2.gz QGGFSNFEFVKVDH-IBGZPJMESA-N 0 3 371.481 2.022 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000528504692 562332751 /nfs/dbraw/zinc/33/27/51/562332751.db2.gz NCUILZPTGQOMJW-WOJBJXKFSA-N 0 3 363.461 2.435 20 30 FEEDHN CC(C)OCCOC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528522003 562333777 /nfs/dbraw/zinc/33/37/77/562333777.db2.gz UIQAMJMUWBSGKM-SFHVURJKSA-N 0 3 362.470 2.204 20 30 FEEDHN CC1(N2CCOCC2)CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000529910107 562390908 /nfs/dbraw/zinc/39/09/08/562390908.db2.gz REMZAVNWULKAQA-IBGZPJMESA-N 0 3 355.482 2.472 20 30 FEEDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)Cc1cccc(C#N)c1 ZINC000530668573 562419868 /nfs/dbraw/zinc/41/98/68/562419868.db2.gz CHLBLRPCGAUFEL-IBGZPJMESA-N 0 3 371.481 2.367 20 30 FEEDHN N#Cc1cccc(CC(=O)NCc2ccccc2CN2CCC(O)CC2)c1 ZINC000531390985 562444463 /nfs/dbraw/zinc/44/44/63/562444463.db2.gz XFHOJUNDMQHMCJ-UHFFFAOYSA-N 0 3 363.461 2.374 20 30 FEEDHN CC(C)(O)CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1 ZINC000533022871 562495985 /nfs/dbraw/zinc/49/59/85/562495985.db2.gz QEDBXWQSTDETAG-UHFFFAOYSA-N 0 3 365.861 2.402 20 30 FEEDHN N#Cc1cccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000536432779 562575429 /nfs/dbraw/zinc/57/54/29/562575429.db2.gz VFGFLAUAZDDEJX-SFTDATJTSA-N 0 3 363.461 2.100 20 30 FEEDHN N#CC[C@@]1(O)CCN(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC000602392509 567974957 /nfs/dbraw/zinc/97/49/57/567974957.db2.gz RHHJVGXQEUKPET-PZJWPPBQSA-N 0 3 370.497 2.491 20 30 FEEDHN CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602573920 567996405 /nfs/dbraw/zinc/99/64/05/567996405.db2.gz OAEKKPXEYGREDF-NRFANRHFSA-N 0 3 362.477 2.097 20 30 FEEDHN COc1ccccc1CCNC(=O)CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602645481 568003815 /nfs/dbraw/zinc/00/38/15/568003815.db2.gz JCKRITZUADIHMS-MRXNPFEDSA-N 0 3 359.470 2.042 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(C(F)(F)F)C2)cc1 ZINC000602990494 568038789 /nfs/dbraw/zinc/03/87/89/568038789.db2.gz WUDICPYMRWZVPR-VIFPVBQESA-N 0 3 361.345 2.398 20 30 FEEDHN CC[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C1CCOCC1 ZINC000330271561 568065391 /nfs/dbraw/zinc/06/53/91/568065391.db2.gz WCLVECOAPFNDOM-YJBOKZPZSA-N 0 3 353.507 2.291 20 30 FEEDHN CCCCNC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000604522125 568305127 /nfs/dbraw/zinc/30/51/27/568305127.db2.gz PPCSUGZUBPJMGB-RTBURBONSA-N 0 3 373.497 2.121 20 30 FEEDHN Cc1csc(NC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1C#N ZINC000569588058 568408689 /nfs/dbraw/zinc/40/86/89/568408689.db2.gz FRTYJOVVRLYEGO-AWEZNQCLSA-N 0 3 365.503 2.142 20 30 FEEDHN C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735398672 598372406 /nfs/dbraw/zinc/37/24/06/598372406.db2.gz OCNJVCOWUHMFFB-UHFFFAOYSA-N 0 3 359.409 2.168 20 30 FEEDHN C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735398672 598372408 /nfs/dbraw/zinc/37/24/08/598372408.db2.gz OCNJVCOWUHMFFB-UHFFFAOYSA-N 0 3 359.409 2.168 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C[S@](C)=O)cc2)CC1 ZINC000557838029 674469926 /nfs/dbraw/zinc/46/99/26/674469926.db2.gz BTTGNECVYJRBKW-VWLOTQADSA-N 0 3 363.527 2.405 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000810526744 674549052 /nfs/dbraw/zinc/54/90/52/674549052.db2.gz FMWWEPIOQBUMGL-OAHLLOKOSA-N 0 3 364.467 2.038 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2nnn(C3CC3)c2C(F)(F)F)CC1 ZINC000608586734 675895481 /nfs/dbraw/zinc/89/54/81/675895481.db2.gz OOLLHHSRENOREI-UHFFFAOYSA-N 0 3 357.380 2.402 20 30 FEEDHN C=C(Br)CNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000074248805 670516325 /nfs/dbraw/zinc/51/63/25/670516325.db2.gz BAOULNGJGTYBEO-UHFFFAOYSA-N 0 3 352.276 2.467 20 30 FEEDHN CN(C)Cc1cccc(CNCCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000570794261 670770128 /nfs/dbraw/zinc/77/01/28/670770128.db2.gz GLFQDABFGBTXJO-UHFFFAOYSA-N 0 3 357.479 2.183 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)CCc1cc(Br)cs1 ZINC000107408386 670819851 /nfs/dbraw/zinc/81/98/51/670819851.db2.gz DBGXHUKQOYNAIH-GFCCVEGCSA-N 0 3 373.272 2.305 20 30 FEEDHN C[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)N(C)c1ccccc1 ZINC000571195985 670833052 /nfs/dbraw/zinc/83/30/52/670833052.db2.gz AJJJULZHUSAKKV-INIZCTEOSA-N 0 3 357.479 2.446 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000113651773 670886859 /nfs/dbraw/zinc/88/68/59/670886859.db2.gz BWPOTCFIPIFENU-CMPLNLGQSA-N 0 3 356.781 2.108 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000573419429 671120065 /nfs/dbraw/zinc/12/00/65/671120065.db2.gz NSEALUWMIJNQPG-LBPRGKRZSA-N 0 3 363.849 2.324 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000578502064 671669775 /nfs/dbraw/zinc/66/97/75/671669775.db2.gz FWOPUDLSGNWMKA-LLVKDONJSA-N 0 3 363.771 2.303 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000582117610 671969848 /nfs/dbraw/zinc/96/98/48/671969848.db2.gz XUQXSTWYHGDCMH-MRXNPFEDSA-N 0 3 363.527 2.432 20 30 FEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)Sc2nncn2C)cc1 ZINC000128531159 672050127 /nfs/dbraw/zinc/05/01/27/672050127.db2.gz WBKGCRZVHMKHFV-FZMZJTMJSA-N 0 3 357.439 2.206 20 30 FEEDHN N#CC(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC1CC1 ZINC000129269531 672060218 /nfs/dbraw/zinc/06/02/18/672060218.db2.gz VGWHEXAQTITEGJ-CYBMUJFWSA-N 0 3 358.785 2.310 20 30 FEEDHN O=C(NCCNCc1ccc(Br)c(F)c1)C1N=CC=CC1=O ZINC000158416625 672269359 /nfs/dbraw/zinc/26/93/59/672269359.db2.gz LOBFJMPXVRWEPO-CCEZHUSRSA-N 0 3 368.206 2.204 20 30 FEEDHN C=CCc1cc(OC)cc(CN2CCC(NS(=O)(=O)CC)CC2)c1O ZINC000164029144 672311593 /nfs/dbraw/zinc/31/15/93/672311593.db2.gz KIOSVKMHZITTES-UHFFFAOYSA-N 0 3 368.499 2.033 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Br)s1 ZINC000173938466 672355893 /nfs/dbraw/zinc/35/58/93/672355893.db2.gz XIMWCCXZLSRBMX-VHSXEESVSA-N 0 3 373.272 2.476 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)CCC(F)(F)F)cc1 ZINC000173992521 672356979 /nfs/dbraw/zinc/35/69/79/672356979.db2.gz VFTBAEMZVVVYHA-LBPRGKRZSA-N 0 3 355.316 2.378 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000591241518 672661226 /nfs/dbraw/zinc/66/12/26/672661226.db2.gz XNLKJFUFMFSYLN-KRWDZBQOSA-N 0 3 355.404 2.386 20 30 FEEDHN N#CC[C@]1(O)CCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000592152553 672764694 /nfs/dbraw/zinc/76/46/94/672764694.db2.gz ZTEMPVLWUSLMSK-HNNXBMFYSA-N 0 3 352.232 2.128 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000592963306 672859637 /nfs/dbraw/zinc/85/96/37/672859637.db2.gz LCFYRAQOQZJORV-QWHCGFSZSA-N 0 3 356.348 2.101 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000594433193 673071506 /nfs/dbraw/zinc/07/15/06/673071506.db2.gz MCXRBNOKGVCTKV-HUUCEWRRSA-N 0 3 362.861 2.363 20 30 FEEDHN COC(=O)[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)c(F)c1 ZINC000594443187 673072231 /nfs/dbraw/zinc/07/22/31/673072231.db2.gz NOULRQZQKDBRFJ-UONOGXRCSA-N 0 3 355.797 2.221 20 30 FEEDHN CC(C)C[C@@H](NC(=O)[C@H](N)CCCCC#N)C(=O)Nc1nccs1 ZINC000594447158 673073647 /nfs/dbraw/zinc/07/36/47/673073647.db2.gz UKSPXSDZZHEAIT-CHWSQXEVSA-N 0 3 351.476 2.024 20 30 FEEDHN CC(=O)Nc1nnc(SCC(=O)C(C#N)c2nc(C)cs2)s1 ZINC000729643390 673242073 /nfs/dbraw/zinc/24/20/73/673242073.db2.gz VCDYJSMPBJAENJ-QMMMGPOBSA-N 0 3 353.454 2.230 20 30 FEEDHN CCOCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000729890202 673252092 /nfs/dbraw/zinc/25/20/92/673252092.db2.gz YZLMLTSMNBEFJI-WCQYABFASA-N 0 3 368.817 2.438 20 30 FEEDHN COC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C1CCOCC1 ZINC000595613639 673273330 /nfs/dbraw/zinc/27/33/30/673273330.db2.gz CGLSYKBLNWXMEO-OAHLLOKOSA-N 0 3 351.472 2.206 20 30 FEEDHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538218477 673427489 /nfs/dbraw/zinc/42/74/89/673427489.db2.gz ZKGFXUDUMIDICE-DZGCQCFKSA-N 0 3 353.463 2.079 20 30 FEEDHN C=CCNC(=O)NC(=O)CN[C@H](COc1ccccc1F)C(C)(C)C ZINC000538393115 673438103 /nfs/dbraw/zinc/43/81/03/673438103.db2.gz UZEVADICTKIQJL-OAHLLOKOSA-N 0 3 351.422 2.221 20 30 FEEDHN CCOCCCN1CCC(=NNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000735224202 673486549 /nfs/dbraw/zinc/48/65/49/673486549.db2.gz PJUKTVIJJAUCBG-OAHLLOKOSA-N 0 3 353.488 2.089 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](c2cccs2)C2CC2)CC1 ZINC000542510082 673587555 /nfs/dbraw/zinc/58/75/55/673587555.db2.gz ISCPASKAVFGEGS-QFBILLFUSA-N 0 3 360.527 2.481 20 30 FEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000740528970 673648277 /nfs/dbraw/zinc/64/82/77/673648277.db2.gz DNQSKWUGLLHDJF-UKAJUAJCSA-N 0 3 360.797 2.229 20 30 FEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000600732578 673795199 /nfs/dbraw/zinc/79/51/99/673795199.db2.gz SILCODDYMZSZEH-IUODEOHRSA-N 0 3 351.809 2.229 20 30 FEEDHN N#Cc1cc(N2CCCN(C[C@H]3CCCO3)CC2)ncc1Br ZINC000603270125 673920523 /nfs/dbraw/zinc/92/05/23/673920523.db2.gz CNDFMKUJCRCWOR-CQSZACIVSA-N 0 3 365.275 2.407 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(OC)c(Br)c1 ZINC000818593124 675226733 /nfs/dbraw/zinc/22/67/33/675226733.db2.gz NAVPSECRIQHENB-UHFFFAOYSA-N 0 3 367.287 2.462 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC000818609393 675228494 /nfs/dbraw/zinc/22/84/94/675228494.db2.gz SQPXIBDHHABHDC-HZPDHXFCSA-N 0 3 351.491 2.093 20 30 FEEDHN O=C(NCCNC[C@H](O)c1ccc(Cl)cc1Cl)C1N=CC=CC1=O ZINC000819049621 675255555 /nfs/dbraw/zinc/25/55/55/675255555.db2.gz MFOBWPLDLUPBTG-DQHOPXMZSA-N 0 3 370.236 2.143 20 30 FEEDHN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCN1CCCCC1 ZINC000819106832 675260884 /nfs/dbraw/zinc/26/08/84/675260884.db2.gz BHJXYBCOHKWTAE-OAHLLOKOSA-N 0 3 352.479 2.176 20 30 FEEDHN C=CC[C@@H](CO)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000567298664 675282342 /nfs/dbraw/zinc/28/23/42/675282342.db2.gz KUFQYHZKGNQIIR-SJORKVTESA-N 0 3 352.425 2.445 20 30 FEEDHN C=CCNC(=O)CN1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642224 675564778 /nfs/dbraw/zinc/56/47/78/675564778.db2.gz BRISKHSQBFHYBJ-OAHLLOKOSA-N 0 3 351.491 2.400 20 30 FEEDHN C[NH+](C)CCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619463763 676377775 /nfs/dbraw/zinc/37/77/75/676377775.db2.gz ZQNFRRRJLBYPOJ-UHFFFAOYSA-N 0 3 359.451 2.494 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000838622242 680706516 /nfs/dbraw/zinc/70/65/16/680706516.db2.gz RPCKUFNSWSSTIA-DLBZAZTESA-N 0 3 361.511 2.152 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(F)c2SC)CC1 ZINC000657681324 678025590 /nfs/dbraw/zinc/02/55/90/678025590.db2.gz POCDKVKDADMZKX-UHFFFAOYSA-N 0 3 351.447 2.253 20 30 FEEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCC[C@H]1C(=O)NC ZINC000765794105 680855430 /nfs/dbraw/zinc/85/54/30/680855430.db2.gz AILGZXIRLXFXMB-HUUCEWRRSA-N 0 3 365.271 2.465 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)[C@@H]2C1 ZINC000975212410 680022005 /nfs/dbraw/zinc/02/20/05/680022005.db2.gz OSQTYLYBGRYEFB-NUEKZKHPSA-N 0 3 367.921 2.309 20 30 FEEDHN CCC(C#N)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC000832650338 680159982 /nfs/dbraw/zinc/15/99/82/680159982.db2.gz KTPDFBDUMCBOSK-YPMHNXCESA-N 0 3 358.316 2.335 20 30 FEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001022751909 680235203 /nfs/dbraw/zinc/23/52/03/680235203.db2.gz FDFADLTUMRLIAM-LJISPDSOSA-N 0 3 350.260 2.331 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1sccc1Br ZINC000835057996 680291928 /nfs/dbraw/zinc/29/19/28/680291928.db2.gz IWZJCQNDESMULL-SNVBAGLBSA-N 0 3 373.272 2.305 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000836231120 680438621 /nfs/dbraw/zinc/43/86/21/680438621.db2.gz VLLYYDZVZNQBJX-UHFFFAOYSA-N 0 3 356.239 2.343 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(Br)cc1F ZINC000836290375 680445899 /nfs/dbraw/zinc/44/58/99/680445899.db2.gz YPZZWLMLKCDEHV-UHFFFAOYSA-N 0 3 370.266 2.385 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000836490396 680476487 /nfs/dbraw/zinc/47/64/87/680476487.db2.gz YTIXSOJGPOOUSR-UHFFFAOYSA-N 0 3 364.287 2.472 20 30 FEEDHN CC[C@@H](C(=O)N1CC[C@H]2CCN(c3snc(C)c3C#N)[C@H]2C1)N(C)C ZINC001045073736 680621061 /nfs/dbraw/zinc/62/10/61/680621061.db2.gz SDRKQJGZPFDRDE-BPUTZDHNSA-N 0 3 361.515 2.091 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@H]1N(C)C ZINC000841713505 680908843 /nfs/dbraw/zinc/90/88/43/680908843.db2.gz OZFKEPKVTBICIG-IAGOWNOFSA-N 0 3 361.515 2.442 20 30 FEEDHN N#Cc1ccc(CNC[C@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)CCO2)s1 ZINC001051723038 681068851 /nfs/dbraw/zinc/06/88/51/681068851.db2.gz BHFZWEJRJVXIGW-MPGHIAIKSA-N 0 3 359.495 2.373 20 30 FEEDHN CN(C(=O)Nc1ccc(Br)c(C#N)n1)[C@@H]1CCCN(C)C1 ZINC000932159210 681185133 /nfs/dbraw/zinc/18/51/33/681185133.db2.gz WHBHOULBCZJSRT-SNVBAGLBSA-N 0 3 352.236 2.274 20 30 FEEDHN C[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000775337248 681298765 /nfs/dbraw/zinc/29/87/65/681298765.db2.gz YDIRPFZBPIKNLE-HNNXBMFYSA-N 0 3 359.451 2.218 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCOC[C@H]2OCCOC)c([O-])c1 ZINC000776721626 681430019 /nfs/dbraw/zinc/43/00/19/681430019.db2.gz INRBYJNQJSCKMR-FLWYYKORSA-N 0 3 350.459 2.478 20 30 FEEDHN Nc1nc(Cl)c(C=NNc2cc(Cl)ccn2)c(N2CCOCC2)n1 ZINC000777906028 681541637 /nfs/dbraw/zinc/54/16/37/681541637.db2.gz PMVYCXNCNBOGFX-UHFFFAOYSA-N 0 3 368.228 2.043 20 30 FEEDHN CN(C)[S@](C)(=O)=NCC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000934750118 681620953 /nfs/dbraw/zinc/62/09/53/681620953.db2.gz LUUPAVROWORDSX-RUZDIDTESA-N 0 3 364.515 2.223 20 30 FEEDHN N#Cc1ccc(CNC(=O)NCC2(N3CCSCC3)CCCC2)nc1 ZINC000780299609 681812726 /nfs/dbraw/zinc/81/27/26/681812726.db2.gz SAOJEAPBUUDFGH-UHFFFAOYSA-N 0 3 359.499 2.114 20 30 FEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cncc(Br)c1 ZINC000850444842 681902664 /nfs/dbraw/zinc/90/26/64/681902664.db2.gz ZWHGNBRTQGWHAH-KDGRRTAISA-N 0 3 365.231 2.021 20 30 FEEDHN C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC000961376951 682090994 /nfs/dbraw/zinc/09/09/94/682090994.db2.gz UKSCXYYZPYLVFL-JQHSSLGASA-N 0 3 370.921 2.493 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(CC(NCc3cnns3)C2)C1 ZINC000963815124 682147314 /nfs/dbraw/zinc/14/73/14/682147314.db2.gz DEBOBXKPBGACKA-WKGBCYBTSA-N 0 3 362.499 2.036 20 30 FEEDHN CC(=O)N[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917135540 685529931 /nfs/dbraw/zinc/52/99/31/685529931.db2.gz FOOCCKXIYDXJAH-UONOGXRCSA-N 0 3 356.451 2.073 20 30 FEEDHN N#Cc1ncc(Br)cc1N1CCN(CC2CCOCC2)CC1 ZINC000853353728 682408024 /nfs/dbraw/zinc/40/80/24/682408024.db2.gz KGUWSAIJAYQGBD-UHFFFAOYSA-N 0 3 365.275 2.264 20 30 FEEDHN N#Cc1ncc(Br)cc1NC1CCN([C@H]2CCOC2)CC1 ZINC000853451305 682415237 /nfs/dbraw/zinc/41/52/37/682415237.db2.gz GGDPPZNFKWOMSL-ZDUSSCGKSA-N 0 3 351.248 2.381 20 30 FEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000855336234 682658955 /nfs/dbraw/zinc/65/89/55/682658955.db2.gz LDAPIBOBCUCIKE-SFHVURJKSA-N 0 3 364.490 2.481 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC1OCCCO1 ZINC000793124346 682865919 /nfs/dbraw/zinc/86/59/19/682865919.db2.gz LCQJLGOFQRMRPB-NSHDSACASA-N 0 3 366.801 2.458 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796514425 683167426 /nfs/dbraw/zinc/16/74/26/683167426.db2.gz LDUQAKMMPWMBLW-BBRMVZONSA-N 0 3 357.376 2.330 20 30 FEEDHN Cc1nnc(COCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000796778160 683195001 /nfs/dbraw/zinc/19/50/01/683195001.db2.gz FXQVTCMIXRRNKC-GFCCVEGCSA-N 0 3 364.814 2.364 20 30 FEEDHN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796790206 683195838 /nfs/dbraw/zinc/19/58/38/683195838.db2.gz QGCCSXBGAOKGRG-JSGCOSHPSA-N 0 3 351.447 2.305 20 30 FEEDHN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000865007110 683922128 /nfs/dbraw/zinc/92/21/28/683922128.db2.gz NACYAZOKESTFCR-TZMCWYRMSA-N 0 3 357.882 2.375 20 30 FEEDHN C[C@H](Nc1cc2n(n1)CCN(C)C2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000871929265 684884465 /nfs/dbraw/zinc/88/44/65/684884465.db2.gz VZWHAHIBVLJHJA-NSHDSACASA-N 0 3 358.833 2.293 20 30 FEEDHN C#C[C@H]1CC[C@H](NCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000873198620 685094123 /nfs/dbraw/zinc/09/41/23/685094123.db2.gz SCRWZFLPIMNPQD-KKUMJFAQSA-N 0 3 369.918 2.486 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000875249171 685765551 /nfs/dbraw/zinc/76/55/51/685765551.db2.gz XSXIYWINHVXMHK-KRWDZBQOSA-N 0 3 351.878 2.193 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000876558454 686220243 /nfs/dbraw/zinc/22/02/43/686220243.db2.gz RFUGTXWRONAGEK-NSHDSACASA-N 0 3 374.666 2.282 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000876583613 686224396 /nfs/dbraw/zinc/22/43/96/686224396.db2.gz NOJFCDMMSOWIMX-AWEZNQCLSA-N 0 3 372.252 2.221 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)NCCOC)c(Cl)c1 ZINC000876607226 686227698 /nfs/dbraw/zinc/22/76/98/686227698.db2.gz JUCDBGISHDFAIN-CYBMUJFWSA-N 0 3 360.241 2.125 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000876619972 686229687 /nfs/dbraw/zinc/22/96/87/686229687.db2.gz HOOLNSRLVTZLFZ-HNNXBMFYSA-N 0 3 350.850 2.269 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1 ZINC000876638004 686234983 /nfs/dbraw/zinc/23/49/83/686234983.db2.gz ZAEKQBUFGLDUOH-ZIAGYGMSSA-N 0 3 369.918 2.388 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000876642880 686235368 /nfs/dbraw/zinc/23/53/68/686235368.db2.gz OKGQZQFQPDARHY-OAHLLOKOSA-N 0 3 353.850 2.087 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000876727682 686254405 /nfs/dbraw/zinc/25/44/05/686254405.db2.gz QSMDEVZGWVFAPP-ZIAGYGMSSA-N 0 3 350.850 2.037 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000876759710 686262133 /nfs/dbraw/zinc/26/21/33/686262133.db2.gz QVPVEXNWEUSZDP-HNNXBMFYSA-N 0 3 354.882 2.090 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000876759711 686262371 /nfs/dbraw/zinc/26/23/71/686262371.db2.gz QVPVEXNWEUSZDP-OAHLLOKOSA-N 0 3 354.882 2.090 20 30 FEEDHN C#CC[C@@H](CO)NCc1cc(Br)c(OCC=C)c(OC)c1 ZINC000883122998 687571933 /nfs/dbraw/zinc/57/19/33/687571933.db2.gz ICXGVWCLQAUWKK-ZDUSSCGKSA-N 0 3 354.244 2.496 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3c(Br)cccc3C1)C2 ZINC000884116925 687793894 /nfs/dbraw/zinc/79/38/94/687793894.db2.gz JTGINFPKZYSISS-TXKKKEFDSA-N 0 3 374.282 2.473 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000884175952 687808638 /nfs/dbraw/zinc/80/86/38/687808638.db2.gz OQTJYFPVGONDGP-HVEKOLDVSA-N 0 3 358.873 2.128 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CC[C@@H](Oc3ccccc3Cl)C1)C2 ZINC000884323796 687848112 /nfs/dbraw/zinc/84/81/12/687848112.db2.gz YSIYSPASQKOGPW-UARSRXHTSA-N 0 3 359.857 2.459 20 30 FEEDHN C#CCN(C(=O)c1nc(C)ccc1Br)C1CCN(C)CC1 ZINC000886571526 688277732 /nfs/dbraw/zinc/27/77/32/688277732.db2.gz ZGWOKGAZXVJFQS-UHFFFAOYSA-N 0 3 350.260 2.322 20 30 FEEDHN C#CCN(C(=O)c1ccc(OCC(F)(F)F)cn1)C1CCN(C)CC1 ZINC000886577801 688279027 /nfs/dbraw/zinc/27/90/27/688279027.db2.gz XVUWKBOAKSUVIV-UHFFFAOYSA-N 0 3 355.360 2.192 20 30 FEEDHN COC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCOC1 ZINC000886910901 688339493 /nfs/dbraw/zinc/33/94/93/688339493.db2.gz XNDVJNPEIRXLHG-CJNGLKHVSA-N 0 3 351.834 2.181 20 30 FEEDHN C#CCC1(NCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CCOCC1 ZINC000887125579 688370309 /nfs/dbraw/zinc/37/03/09/688370309.db2.gz BEUUXSNXFJBCGF-UHFFFAOYSA-N 0 3 352.337 2.109 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)NCc2nc(C#N)cs2)CN1Cc1ccccc1 ZINC000893621238 689376550 /nfs/dbraw/zinc/37/65/50/689376550.db2.gz LCGRGXJYQIRYCM-ZFWWWQNUSA-N 0 3 355.467 2.477 20 30 FEEDHN COCCN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000906502377 691277911 /nfs/dbraw/zinc/27/79/11/691277911.db2.gz QWRBHDOSMYHXJR-KRWDZBQOSA-N 0 3 365.499 2.070 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCCN(CC3CCCCC3)CC2)nc1 ZINC000906855038 691329190 /nfs/dbraw/zinc/32/91/90/691329190.db2.gz WRBYBLVMXDGHBG-UHFFFAOYSA-N 0 3 362.499 2.230 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1OS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000908389178 691671115 /nfs/dbraw/zinc/67/11/15/691671115.db2.gz DNOMURJJEWTOED-UHFFFAOYSA-N 0 3 362.455 2.243 20 30 FEEDHN COc1cc(C#N)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906324 721537254 /nfs/dbraw/zinc/53/72/54/721537254.db2.gz JSBLUBUGUMJVBG-VQIMIIECSA-N 0 3 368.412 2.443 20 30 FEEDHN COc1cc(C#N)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906322 721537576 /nfs/dbraw/zinc/53/75/76/721537576.db2.gz JSBLUBUGUMJVBG-LPHOPBHVSA-N 0 3 368.412 2.443 20 30 FEEDHN N#Cc1cnn2cc(CNCCNc3ccc(-c4ccccc4)nn3)cnc12 ZINC000515077566 816093367 /nfs/dbraw/zinc/09/33/67/816093367.db2.gz NQXITFWFOOHRGT-UHFFFAOYSA-N 0 3 370.420 2.260 20 30 FEEDHN COC(=O)c1ccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000026320738 539783150 /nfs/dbraw/zinc/78/31/50/539783150.db2.gz ZRLMPQVNDLMANS-SFHVURJKSA-N 0 3 354.406 2.217 20 30 FEEDHN CN(C)S(=O)(=O)c1ccc(OCCN(C)Cc2cccc(C#N)c2)cc1 ZINC000026328511 539783711 /nfs/dbraw/zinc/78/37/11/539783711.db2.gz AVHUAKTZULHUGR-UHFFFAOYSA-N 0 3 373.478 2.319 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCC[C@H](C)C3)CC2)o1 ZINC000029820689 539865382 /nfs/dbraw/zinc/86/53/82/539865382.db2.gz YROXLTRLTOTOCT-GOEBONIOSA-N 0 3 359.474 2.014 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(c2ccncc2)CC1 ZINC000037170327 539995670 /nfs/dbraw/zinc/99/56/70/539995670.db2.gz QCTJTYIJSJPIMX-UHFFFAOYSA-N 0 3 366.469 2.090 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000043520814 540102389 /nfs/dbraw/zinc/10/23/89/540102389.db2.gz MEVKSBJGJRWOCZ-UHFFFAOYSA-N 0 3 352.438 2.496 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc2sccn2c1=O)C(C)C ZINC000046049139 540239399 /nfs/dbraw/zinc/23/93/99/540239399.db2.gz RPUGIDUDZWKZFL-HNNXBMFYSA-N 0 3 360.483 2.184 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1C#N ZINC000047010964 540284811 /nfs/dbraw/zinc/28/48/11/540284811.db2.gz HSEZPCXFSVKJGP-UHFFFAOYSA-N 0 3 362.433 2.399 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCN(CC(C)C)CC2)c(OC)c1 ZINC000053420186 540533523 /nfs/dbraw/zinc/53/35/23/540533523.db2.gz NPIHCJCDGCDNGH-LJQANCHMSA-N 0 3 362.514 2.437 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000053667204 540547681 /nfs/dbraw/zinc/54/76/81/540547681.db2.gz FTIUXXIOKHXWIE-ZIAGYGMSSA-N 0 3 373.400 2.482 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1nncs1 ZINC000055388372 540649905 /nfs/dbraw/zinc/64/99/05/540649905.db2.gz ZFVPDPLITHXXCL-UHFFFAOYSA-N 0 3 361.496 2.092 20 30 FEEDHN CN1CCC[C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541097778 541150109 /nfs/dbraw/zinc/15/01/09/541150109.db2.gz DXYNFKWJZGQOBM-CQSZACIVSA-N 0 3 356.405 2.346 20 30 FEEDHN C=CCN(CC(=O)NC1CCN(C2CC2)CC1)Cc1ccc(OC)cc1 ZINC000064508802 541209509 /nfs/dbraw/zinc/20/95/09/541209509.db2.gz SWHMFCGUMPKYKS-UHFFFAOYSA-N 0 3 357.498 2.426 20 30 FEEDHN COCc1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1 ZINC000065930166 541272586 /nfs/dbraw/zinc/27/25/86/541272586.db2.gz SZPCATJYIWYTSG-UHFFFAOYSA-N 0 3 358.467 2.365 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069473484 541688672 /nfs/dbraw/zinc/68/86/72/541688672.db2.gz WMFYKDANSNCCQG-SJORKVTESA-N 0 3 373.476 2.402 20 30 FEEDHN C=CC[C@H]1N(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCCC1(C)C ZINC000550838871 674113992 /nfs/dbraw/zinc/11/39/92/674113992.db2.gz MDLZQBZBQQCGST-DNVCBOLYSA-N 0 3 367.559 2.133 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@]3(CNC(=O)C3)C1)CCC2 ZINC000072831276 541875577 /nfs/dbraw/zinc/87/55/77/541875577.db2.gz HUSYIFXENODGEK-IBGZPJMESA-N 0 3 372.494 2.039 20 30 FEEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1N1CCNC1=O ZINC000076764219 542321259 /nfs/dbraw/zinc/32/12/59/542321259.db2.gz RBDVFRWYOHQLKA-LBPRGKRZSA-N 0 3 356.407 2.480 20 30 FEEDHN N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000076981834 542338190 /nfs/dbraw/zinc/33/81/90/542338190.db2.gz UYJMHZPOAGXRFU-INIZCTEOSA-N 0 3 371.460 2.013 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000078451668 542462185 /nfs/dbraw/zinc/46/21/85/542462185.db2.gz WIIIVDCEZCLQRL-UXHICEINSA-N 0 3 354.498 2.343 20 30 FEEDHN C#CCNC(=O)CN[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801951218 674156351 /nfs/dbraw/zinc/15/63/51/674156351.db2.gz SMGYKSBZRVLPRD-AEFFLSMTSA-N 0 3 351.853 2.342 20 30 FEEDHN CN(C(=O)c1cc(C#N)cn1C)C1CCN(CCc2ccncc2)CC1 ZINC000081728530 542673778 /nfs/dbraw/zinc/67/37/78/542673778.db2.gz YWRQYXOYPIEYJQ-UHFFFAOYSA-N 0 3 351.454 2.071 20 30 FEEDHN Cc1nn(-c2ccccc2)c(CN2CCN(C[C@@H]3CCOC3)CC2)c1C#N ZINC000091071928 542793043 /nfs/dbraw/zinc/79/30/43/542793043.db2.gz MRIUDMDCQHRAHV-SFHVURJKSA-N 0 3 365.481 2.207 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](c3ccccc3)C2)CC1 ZINC000092618201 542875812 /nfs/dbraw/zinc/87/58/12/542875812.db2.gz MWUQDBPQAXSSFI-PMACEKPBSA-N 0 3 354.498 2.168 20 30 FEEDHN CC1CCN(CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000101607831 543036987 /nfs/dbraw/zinc/03/69/87/543036987.db2.gz YQVQVOZSMZIFRQ-UHFFFAOYSA-N 0 3 373.476 2.261 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc2ccccn2c1=O)C(C)C ZINC000101684533 543041115 /nfs/dbraw/zinc/04/11/15/543041115.db2.gz VRLIEHJFXFDEGJ-KRWDZBQOSA-N 0 3 354.454 2.123 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000101788661 543045004 /nfs/dbraw/zinc/04/50/04/543045004.db2.gz REBQQIDBEJGEMY-QGZVFWFLSA-N 0 3 355.486 2.264 20 30 FEEDHN COc1cc(/C=C/C(=O)N(C)CC2CCN(C)CC2)ccc1OCC#N ZINC000103453624 543107886 /nfs/dbraw/zinc/10/78/86/543107886.db2.gz AVMQYQBAAOUFCU-FNORWQNLSA-N 0 3 357.454 2.411 20 30 FEEDHN CCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)N(C)C ZINC000103469452 543109060 /nfs/dbraw/zinc/10/90/60/543109060.db2.gz YHHSGWNJANSWTR-UHFFFAOYSA-N 0 3 350.850 2.340 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(C#N)cn2)CC1 ZINC000107449855 543270879 /nfs/dbraw/zinc/27/08/79/543270879.db2.gz VGMVBTPBYGGOSA-UHFFFAOYSA-N 0 3 363.465 2.021 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)CC1 ZINC000109174659 543316755 /nfs/dbraw/zinc/31/67/55/543316755.db2.gz XILWVIJUUOEOSP-IBGZPJMESA-N 0 3 372.513 2.026 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1cccc(C=O)c1 ZINC000113158401 543475579 /nfs/dbraw/zinc/47/55/79/543475579.db2.gz WMQZGNRZKWQYLX-UHFFFAOYSA-N 0 3 365.433 2.340 20 30 FEEDHN C#CCOc1ccc(CNCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000113322917 543484094 /nfs/dbraw/zinc/48/40/94/543484094.db2.gz CKNTXIPNBCQNFA-UHFFFAOYSA-N 0 3 350.466 2.135 20 30 FEEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000113327215 543484338 /nfs/dbraw/zinc/48/43/38/543484338.db2.gz ZBAYZIKCZGEMFN-HNNXBMFYSA-N 0 3 358.463 2.458 20 30 FEEDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000114558161 543523989 /nfs/dbraw/zinc/52/39/89/543523989.db2.gz KGLXURQAETYACP-HLNWXESRSA-N 0 3 354.498 2.484 20 30 FEEDHN CC(C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000114685803 543529623 /nfs/dbraw/zinc/52/96/23/543529623.db2.gz BKUQOVCJPKBNPP-RDTXWAMCSA-N 0 3 372.446 2.380 20 30 FEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000119289413 543665644 /nfs/dbraw/zinc/66/56/44/543665644.db2.gz UXAMDFZNEGMZDQ-YOEHRIQHSA-N 0 3 356.470 2.225 20 30 FEEDHN C=CCc1cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc(OC)c1O ZINC000124450760 543822632 /nfs/dbraw/zinc/82/26/32/543822632.db2.gz MRIHDEWGIFDDFP-SFHVURJKSA-N 0 3 374.481 2.200 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NCCCN1CCN(CC)CC1 ZINC000125053451 543858048 /nfs/dbraw/zinc/85/80/48/543858048.db2.gz ZSPNXRKTKQZLTK-UHFFFAOYSA-N 0 3 361.486 2.017 20 30 FEEDHN C=C[C@H](CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000125913586 543908388 /nfs/dbraw/zinc/90/83/88/543908388.db2.gz SRKZHUSGPNOIST-VQIMIIECSA-N 0 3 355.482 2.287 20 30 FEEDHN C=CC[C@H](C)[C@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127777645 544013418 /nfs/dbraw/zinc/01/34/18/544013418.db2.gz UEFLGKSSYRJJKX-IRXDYDNUSA-N 0 3 365.543 2.313 20 30 FEEDHN C=C[C@@H](CC(=O)N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 ZINC000129652659 544121759 /nfs/dbraw/zinc/12/17/59/544121759.db2.gz ZGQWBCNUDIBDGI-SFHVURJKSA-N 0 3 357.498 2.359 20 30 FEEDHN C=C[C@H](CC(=O)N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 ZINC000129652416 544121835 /nfs/dbraw/zinc/12/18/35/544121835.db2.gz ZGQWBCNUDIBDGI-GOSISDBHSA-N 0 3 357.498 2.359 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000130209132 544143228 /nfs/dbraw/zinc/14/32/28/544143228.db2.gz AWRXGUFGTIOVLT-SFHVURJKSA-N 0 3 355.442 2.358 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000139914560 544405809 /nfs/dbraw/zinc/40/58/09/544405809.db2.gz GDQONEHQXMLSNV-KRWDZBQOSA-N 0 3 359.539 2.422 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000139914560 544405812 /nfs/dbraw/zinc/40/58/12/544405812.db2.gz GDQONEHQXMLSNV-KRWDZBQOSA-N 0 3 359.539 2.422 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000150929277 544487933 /nfs/dbraw/zinc/48/79/33/544487933.db2.gz VLSIBPCAMXRJJF-WMZOPIPTSA-N 0 3 353.532 2.381 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CC[C@H](O)C2)c1C#N ZINC000152671196 544681248 /nfs/dbraw/zinc/68/12/48/544681248.db2.gz GGOCFFARWXUFMJ-HNNXBMFYSA-N 0 3 356.426 2.013 20 30 FEEDHN C[C@H](C(=O)NCc1ccc(Cl)cc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153320042 544760481 /nfs/dbraw/zinc/76/04/81/544760481.db2.gz SAUWTGWQDNDROA-GFCCVEGCSA-N 0 3 374.876 2.086 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000154035033 544856632 /nfs/dbraw/zinc/85/66/32/544856632.db2.gz BDMKDTFYGWXJEX-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000054848273 324766406 /nfs/dbraw/zinc/76/64/06/324766406.db2.gz XDOZYJRZQDHSGN-UHFFFAOYSA-N 0 3 370.453 2.027 20 30 FEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000083025535 325210414 /nfs/dbraw/zinc/21/04/14/325210414.db2.gz UGYCCMUCAQFKNL-BRWVUGGUSA-N 0 3 359.470 2.331 20 30 FEEDHN Cc1cc(C)cc(NC(=O)[C@@H](C)N(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000089943025 325343773 /nfs/dbraw/zinc/34/37/73/325343773.db2.gz LJEBJCWFQLDCJN-CQSZACIVSA-N 0 3 354.458 2.372 20 30 FEEDHN CC(C)n1cnnc1[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000118861062 326109128 /nfs/dbraw/zinc/10/91/28/326109128.db2.gz LXSGVRCYYFXZCG-ROUUACIJSA-N 0 3 369.469 2.350 20 30 FEEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000120893610 326297001 /nfs/dbraw/zinc/29/70/01/326297001.db2.gz OZGBTHPUPOZPDW-SJLPKXTDSA-N 0 3 373.501 2.404 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000131871188 326583314 /nfs/dbraw/zinc/58/33/14/326583314.db2.gz MXVZFQTVVFWEOR-KRWDZBQOSA-N 0 3 357.454 2.404 20 30 FEEDHN CN(CC1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000165946767 327080076 /nfs/dbraw/zinc/08/00/76/327080076.db2.gz UOVPTCSNJAAGSH-UHFFFAOYSA-N 0 3 370.478 2.490 20 30 FEEDHN CCN(CCNC(=O)N1CCCN(c2ccccc2C#N)CC1)C1CC1 ZINC000171251119 327127581 /nfs/dbraw/zinc/12/75/81/327127581.db2.gz MBTAOBHEFYRHFO-UHFFFAOYSA-N 0 3 355.486 2.264 20 30 FEEDHN N#Cc1ccc(CNCCCC(=O)N2CCN(c3ccccc3)CC2)o1 ZINC000174413334 327325894 /nfs/dbraw/zinc/32/58/94/327325894.db2.gz BQTDVCXBKXTSME-UHFFFAOYSA-N 0 3 352.438 2.370 20 30 FEEDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000276176174 330126421 /nfs/dbraw/zinc/12/64/21/330126421.db2.gz LOYFBUNPEURHOX-KBPBESRZSA-N 0 3 360.845 2.235 20 30 FEEDHN C[C@H](CO)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCC1 ZINC000276260452 330134388 /nfs/dbraw/zinc/13/43/88/330134388.db2.gz AZBMDZMGADHFCU-OAHLLOKOSA-N 0 3 367.453 2.308 20 30 FEEDHN C[C@@H](CO)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCC1 ZINC000276260448 330134457 /nfs/dbraw/zinc/13/44/57/330134457.db2.gz AZBMDZMGADHFCU-HNNXBMFYSA-N 0 3 367.453 2.308 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)CC1 ZINC000156742146 545654820 /nfs/dbraw/zinc/65/48/20/545654820.db2.gz NIZZZGQHOKHINC-LJQANCHMSA-N 0 3 356.466 2.124 20 30 FEEDHN C#CCCCCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000159135653 545924764 /nfs/dbraw/zinc/92/47/64/545924764.db2.gz DBSIHBIUWOLMFX-UHFFFAOYSA-N 0 3 373.522 2.136 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC(=O)N2CCCc3ccccc32)CC1 ZINC000171556950 546214015 /nfs/dbraw/zinc/21/40/15/546214015.db2.gz WVQRXXKAIDKEGK-UHFFFAOYSA-N 0 3 370.497 2.306 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](C2OCCO2)C1)C(C)C ZINC000171628330 546216070 /nfs/dbraw/zinc/21/60/70/546216070.db2.gz VNWNXUNJEVEZIF-ZWKOTPCHSA-N 0 3 365.518 2.480 20 30 FEEDHN C=CCN1CCC(NC(=O)NC2CCN(C(=O)C(CC)CC)CC2)CC1 ZINC000171719483 546220190 /nfs/dbraw/zinc/22/01/90/546220190.db2.gz QYURLCVQWRMBSH-UHFFFAOYSA-N 0 3 364.534 2.363 20 30 FEEDHN C=CCN1CCC(NC(=O)CCC(=O)N2CCc3sccc3C2)CC1 ZINC000171715939 546221058 /nfs/dbraw/zinc/22/10/58/546221058.db2.gz OKUJCOPGXPBCFZ-UHFFFAOYSA-N 0 3 361.511 2.180 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)CC1 ZINC000171726516 546221787 /nfs/dbraw/zinc/22/17/87/546221787.db2.gz MTSSXTDKRCIKIZ-QGZVFWFLSA-N 0 3 355.482 2.369 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)CC1 ZINC000171726904 546222290 /nfs/dbraw/zinc/22/22/90/546222290.db2.gz QWDCIHMXROLBPT-INIZCTEOSA-N 0 3 371.481 2.205 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000172185610 546240078 /nfs/dbraw/zinc/24/00/78/546240078.db2.gz BQHRZZPTDXAIGO-XLIONFOSSA-N 0 3 371.529 2.242 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 ZINC000173270895 546277073 /nfs/dbraw/zinc/27/70/73/546277073.db2.gz YEQJDCNQSLYEMB-UHFFFAOYSA-N 0 3 368.437 2.410 20 30 FEEDHN C#CCN1CCC(C(=O)N(CC)CC2CCN(c3ccccn3)CC2)CC1 ZINC000174897796 546304593 /nfs/dbraw/zinc/30/45/93/546304593.db2.gz AOMDBSJTVAMQHZ-UHFFFAOYSA-N 0 3 368.525 2.492 20 30 FEEDHN CN1CCN(CCCNC(=O)NCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000479820268 561197566 /nfs/dbraw/zinc/19/75/66/561197566.db2.gz XIIVBKCWSXWQEO-GOSISDBHSA-N 0 3 357.502 2.214 20 30 FEEDHN CSc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1C ZINC000479907156 561199242 /nfs/dbraw/zinc/19/92/42/561199242.db2.gz AYNVVJSDTYJEEN-UHFFFAOYSA-N 0 3 357.483 2.218 20 30 FEEDHN CCCN(CC)CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000176219469 546420885 /nfs/dbraw/zinc/42/08/85/546420885.db2.gz XXHJOQFVYDJXGZ-UHFFFAOYSA-N 0 3 362.499 2.479 20 30 FEEDHN C=CC[C@H](CO)CN[C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481678199 561238484 /nfs/dbraw/zinc/23/84/84/561238484.db2.gz PHERRGJVFIZVTQ-WFASDCNBSA-N 0 3 360.907 2.473 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](c2ccccc2)C2CC2)CC1 ZINC000179692707 547000102 /nfs/dbraw/zinc/00/01/02/547000102.db2.gz NBIHQRJAXBXWSF-PZJWPPBQSA-N 0 3 354.498 2.420 20 30 FEEDHN Cn1cc(CN2CCC(NC(=O)C3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179906753 547026955 /nfs/dbraw/zinc/02/69/55/547026955.db2.gz AZGHYHQKSAAUPI-UHFFFAOYSA-N 0 3 363.465 2.449 20 30 FEEDHN CC(C)C(=O)N1CCC(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000179970379 547034854 /nfs/dbraw/zinc/03/48/54/547034854.db2.gz UCENKWDJXZHMRZ-LJQANCHMSA-N 0 3 368.481 2.290 20 30 FEEDHN Cc1ccc(NC(=O)C[C@@H](C)NCCNC(=O)C2N=CC=CC2=O)c(C)c1 ZINC000180879829 547200883 /nfs/dbraw/zinc/20/08/83/547200883.db2.gz KQAPDGHYWIDQOD-MVZUJROASA-N 0 3 370.453 2.137 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@](N)(c2ccccc2OC)C(F)(F)F)CC1 ZINC000483072226 561266585 /nfs/dbraw/zinc/26/65/85/561266585.db2.gz FYZRFKVWQFMDAX-KRWDZBQOSA-N 0 3 371.403 2.178 20 30 FEEDHN COc1cnccc1N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000483209126 561270598 /nfs/dbraw/zinc/27/05/98/561270598.db2.gz JKUHITBATRTOBP-UHFFFAOYSA-N 0 3 365.437 2.113 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184220279 547789761 /nfs/dbraw/zinc/78/97/61/547789761.db2.gz HAGKPDBIBWNVKZ-OAHLLOKOSA-N 0 3 359.474 2.104 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184602395 547852600 /nfs/dbraw/zinc/85/26/00/547852600.db2.gz ATFZXXZBFSYSOJ-LSDHHAIUSA-N 0 3 367.457 2.381 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185377650 547976167 /nfs/dbraw/zinc/97/61/67/547976167.db2.gz JKSZTKWLKIONIX-UHFFFAOYSA-N 0 3 374.529 2.467 20 30 FEEDHN C=CCN(c1ccccc1)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000186601212 548156398 /nfs/dbraw/zinc/15/63/98/548156398.db2.gz SDIPWJDEUCBJIG-UHFFFAOYSA-N 0 3 362.499 2.443 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cc(COC(C)(C)C)on2)CC1 ZINC000186905747 548216651 /nfs/dbraw/zinc/21/66/51/548216651.db2.gz QXBNZXNEANIEMU-UHFFFAOYSA-N 0 3 350.463 2.439 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000188761318 548287008 /nfs/dbraw/zinc/28/70/08/548287008.db2.gz VLLCJDHLBZZNDL-CTNGQTDRSA-N 0 3 360.498 2.488 20 30 FEEDHN C=CCN(C(=O)CC1CCN(C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000486211644 561341245 /nfs/dbraw/zinc/34/12/45/561341245.db2.gz FRGIBSPFBGCKLW-INIZCTEOSA-N 0 3 368.485 2.470 20 30 FEEDHN C=C(C)CS(=O)(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000189554955 548304573 /nfs/dbraw/zinc/30/45/73/548304573.db2.gz OQIMNVMYYFVBFV-INIZCTEOSA-N 0 3 350.484 2.470 20 30 FEEDHN N#Cc1ccc(N2CCC([NH2+]Cc3cc4c(cc3[O-])OCO4)CC2)nc1 ZINC000238123707 548878492 /nfs/dbraw/zinc/87/84/92/548878492.db2.gz UDXAWIMCGDKZMN-UHFFFAOYSA-N 0 3 352.394 2.146 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000246554383 549159516 /nfs/dbraw/zinc/15/95/16/549159516.db2.gz UGYCCMUCAQFKNL-BBWFWOEESA-N 0 3 359.470 2.331 20 30 FEEDHN C=CCn1cccc1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000488973131 561400652 /nfs/dbraw/zinc/40/06/52/561400652.db2.gz BZYFZTDWOSDLNV-UHFFFAOYSA-N 0 3 354.410 2.396 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000247186069 549295753 /nfs/dbraw/zinc/29/57/53/549295753.db2.gz ZFMNROJQYFXJIR-IPMKNSEASA-N 0 3 370.497 2.445 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC[C@H](C2CCCCC2)N(C)C)cc1C#N ZINC000489111954 561403651 /nfs/dbraw/zinc/40/36/51/561403651.db2.gz BSOYXQYXUWTOHL-QGZVFWFLSA-N 0 3 350.488 2.051 20 30 FEEDHN CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000248872468 549519309 /nfs/dbraw/zinc/51/93/09/549519309.db2.gz KTTXIBYVBHUOFX-PZJWPPBQSA-N 0 3 354.498 2.391 20 30 FEEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000249112885 549554462 /nfs/dbraw/zinc/55/44/62/549554462.db2.gz AWTGBWBJXOOBJC-PBHICJAKSA-N 0 3 354.454 2.121 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000250671167 549643847 /nfs/dbraw/zinc/64/38/47/549643847.db2.gz XHJAYNZGPCFRHK-HOTGVXAUSA-N 0 3 359.470 2.427 20 30 FEEDHN C=CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000253232696 549680361 /nfs/dbraw/zinc/68/03/61/549680361.db2.gz GCDFETAMMBYGRK-RTBURBONSA-N 0 3 355.482 2.111 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1noc(C2CC2)n1 ZINC000490962377 561441027 /nfs/dbraw/zinc/44/10/27/561441027.db2.gz VFTABHFVXFATLP-UHFFFAOYSA-N 0 3 368.441 2.092 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000264332318 549994552 /nfs/dbraw/zinc/99/45/52/549994552.db2.gz FOVVODWVNJGSAH-KRWDZBQOSA-N 0 3 372.513 2.471 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccccc2Sc2nncn2C)CC1 ZINC000264709039 550000460 /nfs/dbraw/zinc/00/04/60/550000460.db2.gz GAFJNBOPIDRNSH-UHFFFAOYSA-N 0 3 355.467 2.250 20 30 FEEDHN C=CC[C@@H](C)NC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000265841650 550014899 /nfs/dbraw/zinc/01/48/99/550014899.db2.gz XELRYOMOMZZBAC-QGZVFWFLSA-N 0 3 360.502 2.423 20 30 FEEDHN COc1ccc(C)cc1NC(=O)CON=C(N)c1ccc(CN(C)C)cc1 ZINC000266997371 550026366 /nfs/dbraw/zinc/02/63/66/550026366.db2.gz FMQPGJVRWVDJHC-UHFFFAOYSA-N 0 3 370.453 2.341 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000269682371 550216461 /nfs/dbraw/zinc/21/64/61/550216461.db2.gz SYMOKQGXYPOBDQ-UHFFFAOYSA-N 0 3 351.447 2.336 20 30 FEEDHN C[C@]1(CO)CCC[C@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000493709321 561457838 /nfs/dbraw/zinc/45/78/38/561457838.db2.gz QTLHCEBZIFDIRP-SJLPKXTDSA-N 0 3 368.399 2.314 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3c(C#N)nnc4ccccc43)CC2)CC1 ZINC000270435273 550272129 /nfs/dbraw/zinc/27/21/29/550272129.db2.gz CVMDMTRLZOCRIJ-UHFFFAOYSA-N 0 3 364.497 2.496 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN[C@H](CO)c2ccccc2)c(OC)c1 ZINC000273082334 550484287 /nfs/dbraw/zinc/48/42/87/550484287.db2.gz HSEZIYALUIHQPN-RBUKOAKNSA-N 0 3 357.450 2.487 20 30 FEEDHN CN(C)C1(C#N)CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000275009366 550569987 /nfs/dbraw/zinc/56/99/87/550569987.db2.gz DWZXJZWESUEBGL-MSOLQXFVSA-N 0 3 355.486 2.061 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CC1 ZINC000278386560 550779886 /nfs/dbraw/zinc/77/98/86/550779886.db2.gz DJUPLKJGBFQANH-CQSZACIVSA-N 0 3 369.473 2.186 20 30 FEEDHN CC(C)C(=O)NC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279442714 550890856 /nfs/dbraw/zinc/89/08/56/550890856.db2.gz YSSDBYOUEHBYKQ-QGZVFWFLSA-N 0 3 352.438 2.004 20 30 FEEDHN Cn1cc(CNCC2(S(C)(=O)=O)CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000279911250 550942159 /nfs/dbraw/zinc/94/21/59/550942159.db2.gz WRJUZFHBFHMOSI-UHFFFAOYSA-N 0 3 358.467 2.016 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@]12CCCO2 ZINC000280101992 550961098 /nfs/dbraw/zinc/96/10/98/550961098.db2.gz SRUNTIFTIYVWRJ-RMJJICAUSA-N 0 3 353.422 2.083 20 30 FEEDHN C[C@H](N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000280236273 550973757 /nfs/dbraw/zinc/97/37/57/550973757.db2.gz BIKYSMUPCDBDRC-BBRMVZONSA-N 0 3 364.371 2.336 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C1=O ZINC000281351763 551087387 /nfs/dbraw/zinc/08/73/87/551087387.db2.gz MDZNTRUEQCBOAL-IBGZPJMESA-N 0 3 355.482 2.144 20 30 FEEDHN CS(=O)(=O)C[C@H](NCCCC1(C#N)CCOCC1)c1ccccc1 ZINC000282134221 551185131 /nfs/dbraw/zinc/18/51/31/551185131.db2.gz ZBVCMBZSRMEWSB-KRWDZBQOSA-N 0 3 350.484 2.462 20 30 FEEDHN CC(C)SCCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000282188309 551192303 /nfs/dbraw/zinc/19/23/03/551192303.db2.gz HANYPHXDIFJERO-UHFFFAOYSA-N 0 3 351.516 2.422 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)CC1 ZINC000497483555 561501667 /nfs/dbraw/zinc/50/16/67/561501667.db2.gz RXSUZSDHYPDRSJ-MRXNPFEDSA-N 0 3 359.367 2.309 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccnc1)C(C)C ZINC000283226162 551332519 /nfs/dbraw/zinc/33/25/19/551332519.db2.gz VEDVUJNTLIXQQU-FUHWJXTLSA-N 0 3 358.486 2.074 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2nc3ccccc3s2)CC1 ZINC000283478842 551373517 /nfs/dbraw/zinc/37/35/17/551373517.db2.gz OGQLDVYWZNQPSL-UHFFFAOYSA-N 0 3 372.494 2.069 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000283631445 551400226 /nfs/dbraw/zinc/40/02/26/551400226.db2.gz YBEXUXUPBWYCOD-ZDUSSCGKSA-N 0 3 365.424 2.299 20 30 FEEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000283705597 551412974 /nfs/dbraw/zinc/41/29/74/551412974.db2.gz VRDXPUJUSWKDKR-KRWDZBQOSA-N 0 3 368.485 2.075 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)CC1 ZINC000283838443 551435804 /nfs/dbraw/zinc/43/58/04/551435804.db2.gz GOAVXMOZXMXBDT-UHFFFAOYSA-N 0 3 360.458 2.202 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000283850844 551438190 /nfs/dbraw/zinc/43/81/90/551438190.db2.gz HNYVXNPYGUDKMD-KRWDZBQOSA-N 0 3 370.497 2.286 20 30 FEEDHN C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1)c1ccc(C#N)cc1 ZINC000284143890 551491796 /nfs/dbraw/zinc/49/17/96/551491796.db2.gz WTAUTPAXLNZGCG-QFBILLFUSA-N 0 3 368.481 2.212 20 30 FEEDHN CN(CC1CCN(C)CC1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286006429 551837431 /nfs/dbraw/zinc/83/74/31/551837431.db2.gz DUABEZIVSZUHAD-QGZVFWFLSA-N 0 3 358.461 2.324 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2C)CC1 ZINC000286372918 551879993 /nfs/dbraw/zinc/87/99/93/551879993.db2.gz CNEBYRIBQXLATK-IBGZPJMESA-N 0 3 355.482 2.425 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)CC1 ZINC000286412480 551884713 /nfs/dbraw/zinc/88/47/13/551884713.db2.gz FJJZWLITCNXEPS-HXUWFJFHSA-N 0 3 369.509 2.295 20 30 FEEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCCCC#N ZINC000286689588 551915021 /nfs/dbraw/zinc/91/50/21/551915021.db2.gz JGYQDSZRMNTHTD-UHFFFAOYSA-N 0 3 364.877 2.040 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@]2(CCCOC2)C1)C(C)C ZINC000287032445 551954131 /nfs/dbraw/zinc/95/41/31/551954131.db2.gz HAXZCXAHXODUOU-AZUAARDMSA-N 0 3 365.518 2.276 20 30 FEEDHN C#CCCCCNC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000287191553 551974672 /nfs/dbraw/zinc/97/46/72/551974672.db2.gz UGVADTFKVNKSLQ-NRFANRHFSA-N 0 3 368.525 2.392 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCOCC2)cc1 ZINC000287333302 551990952 /nfs/dbraw/zinc/99/09/52/551990952.db2.gz OXJXDVISPJQYKS-QWHCGFSZSA-N 0 3 351.428 2.063 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CSC2(C)C)cc1 ZINC000287343130 551991740 /nfs/dbraw/zinc/99/17/40/551991740.db2.gz PLVILXKSKSSPJZ-ZWNOBZJWSA-N 0 3 353.469 2.388 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCCCCO)cc1 ZINC000287816531 552050570 /nfs/dbraw/zinc/05/05/70/552050570.db2.gz YTVNTRVYHZLXPT-ZDUSSCGKSA-N 0 3 353.444 2.047 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288190066 552107394 /nfs/dbraw/zinc/10/73/94/552107394.db2.gz OVFBIKTWIXLMLO-HOCLYGCPSA-N 0 3 371.485 2.138 20 30 FEEDHN C#C[C@H](NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)C(C)(C)C ZINC000289126186 552269776 /nfs/dbraw/zinc/26/97/76/552269776.db2.gz IYUIBRRVXGSDJD-IBGZPJMESA-N 0 3 357.498 2.490 20 30 FEEDHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290270383 552451576 /nfs/dbraw/zinc/45/15/76/552451576.db2.gz PHCXOOAXMVWEND-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000290306948 552457546 /nfs/dbraw/zinc/45/75/46/552457546.db2.gz JEPRTJPAPWKNCH-LLVKDONJSA-N 0 3 370.375 2.360 20 30 FEEDHN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC)CC1 ZINC000290920038 552561554 /nfs/dbraw/zinc/56/15/54/552561554.db2.gz FEZAFKLVQQWCMA-UHFFFAOYSA-N 0 3 357.506 2.248 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](n3cccn3)C2)cc1 ZINC000291207555 552600365 /nfs/dbraw/zinc/60/03/65/552600365.db2.gz AZMCBCBRSLYOFB-ZFWWWQNUSA-N 0 3 373.438 2.048 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291338923 552616340 /nfs/dbraw/zinc/61/63/40/552616340.db2.gz WHATUOHDMRVPSN-SIKLNZKXSA-N 0 3 359.429 2.403 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cn(C)nc1C1CC1)C(C)C ZINC000291352912 552617698 /nfs/dbraw/zinc/61/76/98/552617698.db2.gz PXOMIJFWNOIIFD-QGZVFWFLSA-N 0 3 373.501 2.051 20 30 FEEDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C2)C1 ZINC000292077563 552691451 /nfs/dbraw/zinc/69/14/51/552691451.db2.gz QPKJMVZGIFQSGG-HNNXBMFYSA-N 0 3 373.400 2.293 20 30 FEEDHN CO[C@](C)(CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000292169782 552700881 /nfs/dbraw/zinc/70/08/81/552700881.db2.gz FUYDFUSAZFJXSD-HXUWFJFHSA-N 0 3 358.486 2.447 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(C[C@@H](O)COCc3cccs3)C2)nc1 ZINC000292375436 552720702 /nfs/dbraw/zinc/72/07/02/552720702.db2.gz YWBXTHOQEMDWLK-CVEARBPZSA-N 0 3 359.451 2.046 20 30 FEEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)COCC(F)(F)F)CC1 ZINC000292431937 552726296 /nfs/dbraw/zinc/72/62/96/552726296.db2.gz LWACVBXUTXKNCA-HNNXBMFYSA-N 0 3 357.376 2.010 20 30 FEEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000292857760 552765478 /nfs/dbraw/zinc/76/54/78/552765478.db2.gz GPPLLIZSSYOLEV-IAGOWNOFSA-N 0 3 374.533 2.111 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000293977149 552872338 /nfs/dbraw/zinc/87/23/38/552872338.db2.gz MONJUIXLDNTZSZ-UHFFFAOYSA-N 0 3 360.845 2.394 20 30 FEEDHN CO[C@]1(C)C[C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000295093523 552958362 /nfs/dbraw/zinc/95/83/62/552958362.db2.gz AHHNWQDMPUXIBY-OXQOHEQNSA-N 0 3 367.453 2.476 20 30 FEEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295121670 552961158 /nfs/dbraw/zinc/96/11/58/552961158.db2.gz NHRPYDBTFFNUGQ-UXHICEINSA-N 0 3 365.481 2.369 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000296841936 553218987 /nfs/dbraw/zinc/21/89/87/553218987.db2.gz JHPZQOJJPUMZHS-KRWDZBQOSA-N 0 3 357.502 2.064 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCOC2(C)C)cc1 ZINC000297852569 553347408 /nfs/dbraw/zinc/34/74/08/553347408.db2.gz OVALQFKUBURONM-BXUZGUMPSA-N 0 3 351.428 2.061 20 30 FEEDHN CC(C#N)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000503283527 561638851 /nfs/dbraw/zinc/63/88/51/561638851.db2.gz MZNKIVLLPHASFL-IUODEOHRSA-N 0 3 361.243 2.318 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)NC[C@H](c1cccs1)N1CCOCC1 ZINC000298066223 553379551 /nfs/dbraw/zinc/37/95/51/553379551.db2.gz FINFYKVSHTXBSU-DLBZAZTESA-N 0 3 363.527 2.300 20 30 FEEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN[C@H]3C(=O)NCC[C@@H]3C)sc2C1 ZINC000298374087 553418052 /nfs/dbraw/zinc/41/80/52/553418052.db2.gz DBFMSWHKILMMAI-BWACUDIHSA-N 0 3 374.510 2.187 20 30 FEEDHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000298917001 553489495 /nfs/dbraw/zinc/48/94/95/553489495.db2.gz AMBPJKFFKUHJDG-UHFFFAOYSA-N 0 3 374.485 2.354 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000299047752 553508307 /nfs/dbraw/zinc/50/83/07/553508307.db2.gz FTIUXXIOKHXWIE-KBPBESRZSA-N 0 3 373.400 2.482 20 30 FEEDHN N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000301326243 553642356 /nfs/dbraw/zinc/64/23/56/553642356.db2.gz AWUHTNRJBZJSME-IBGZPJMESA-N 0 3 370.478 2.455 20 30 FEEDHN N#Cc1cc(NC[C@H](O)CN2CCCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301335163 553643338 /nfs/dbraw/zinc/64/33/38/553643338.db2.gz CQOHXNXTJWMFLI-HNNXBMFYSA-N 0 3 355.398 2.273 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000505555182 561673956 /nfs/dbraw/zinc/67/39/56/561673956.db2.gz JFPBQHADROVZRC-HXUWFJFHSA-N 0 3 357.502 2.291 20 30 FEEDHN Cc1nc(N2CCN(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)CC2)sc1C ZINC000328701583 553809405 /nfs/dbraw/zinc/80/94/05/553809405.db2.gz WTCQNKMIOFGFAP-MLGOLLRUSA-N 0 3 363.531 2.279 20 30 FEEDHN C[C@@H]1CN(CC2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)C[C@@H](C)O1 ZINC000328737546 553814336 /nfs/dbraw/zinc/81/43/36/553814336.db2.gz HBZBFGSVEJROEK-JXXFODFXSA-N 0 3 362.518 2.456 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)C[C@@H](C)O1 ZINC000328842881 553831324 /nfs/dbraw/zinc/83/13/24/553831324.db2.gz QGCGZFYWKVPCOL-OHDICMOHSA-N 0 3 365.518 2.289 20 30 FEEDHN O=C(CN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)NC1CCN(C2CC2)CC1 ZINC000328986782 553859132 /nfs/dbraw/zinc/85/91/32/553859132.db2.gz RGMOGMJENDTTBJ-BEFAXECRSA-N 0 3 374.529 2.045 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1 ZINC000328999606 553862234 /nfs/dbraw/zinc/86/22/34/553862234.db2.gz XECZFIGDMDVARN-OHRYMORCSA-N 0 3 371.481 2.242 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000329049175 553871506 /nfs/dbraw/zinc/87/15/06/553871506.db2.gz VXZFCIQNTMSYMS-CVEARBPZSA-N 0 3 373.453 2.461 20 30 FEEDHN C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)N1CCC(C)CC1 ZINC000506108602 561690565 /nfs/dbraw/zinc/69/05/65/561690565.db2.gz JUYPKIVNIHLHOG-KXBFYZLASA-N 0 3 351.491 2.485 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329110748 553882084 /nfs/dbraw/zinc/88/20/84/553882084.db2.gz GMVXFVVJLQMXDX-ZACQAIPSSA-N 0 3 365.522 2.246 20 30 FEEDHN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 ZINC000329183693 553897195 /nfs/dbraw/zinc/89/71/95/553897195.db2.gz FQRYVCXSPLXZBV-ZIFCJYIRSA-N 0 3 362.495 2.432 20 30 FEEDHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329193565 553899492 /nfs/dbraw/zinc/89/94/92/553899492.db2.gz UFRSWMWIHXXLMF-DOTOQJQBSA-N 0 3 350.507 2.250 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000329219046 553904953 /nfs/dbraw/zinc/90/49/53/553904953.db2.gz AORSXIJVIYBXCH-HOTGVXAUSA-N 0 3 367.515 2.493 20 30 FEEDHN CC[C@@H]1CN(C(=O)NCC2(N(C)C)CCCCCC2)C[C@H](C)S1(=O)=O ZINC000329222038 553905340 /nfs/dbraw/zinc/90/53/40/553905340.db2.gz VRTHEUXYMLSPPW-JKSUJKDBSA-N 0 3 373.563 2.453 20 30 FEEDHN C[C@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CCCCCC1 ZINC000329273433 553915112 /nfs/dbraw/zinc/91/51/12/553915112.db2.gz JXIVUEOHSYKVJV-HUUCEWRRSA-N 0 3 357.520 2.164 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCCc3csc(N4CCCC4)n3)[C@@H]2C1 ZINC000329278817 553916538 /nfs/dbraw/zinc/91/65/38/553916538.db2.gz LIGVOWDWAFPCCP-GDBMZVCRSA-N 0 3 363.531 2.226 20 30 FEEDHN CN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H]1CN2CCC1CC2 ZINC000329288174 553918598 /nfs/dbraw/zinc/91/85/98/553918598.db2.gz MPRMYMIACUEYKP-VQIMIIECSA-N 0 3 356.445 2.076 20 30 FEEDHN CN(CC(=O)NC1CCOCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000329295534 553919808 /nfs/dbraw/zinc/91/98/08/553919808.db2.gz SKNBMQUQOOORME-UHFFFAOYSA-N 0 3 359.470 2.359 20 30 FEEDHN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000329485037 553956087 /nfs/dbraw/zinc/95/60/87/553956087.db2.gz QPPHUBLJOBHSCM-KRWDZBQOSA-N 0 3 358.486 2.130 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CN1C1CC1 ZINC000329529359 553962927 /nfs/dbraw/zinc/96/29/27/553962927.db2.gz TWGZXEUGMPZPMO-OPGCRTJHSA-N 0 3 357.454 2.167 20 30 FEEDHN CC(C(=O)NCc1nc2ccccc2n1C)S(=O)(=O)C1CCOCC1 ZINC000329589572 553972495 /nfs/dbraw/zinc/97/24/95/553972495.db2.gz SRGNNVNVDOYVFW-LBPRGKRZSA-N 0 3 365.455 2.012 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)CC1 ZINC000329737254 553997794 /nfs/dbraw/zinc/99/77/94/553997794.db2.gz LZUCTZHCRIOVMK-INMHGKMJSA-N 0 3 364.490 2.127 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2(C)CCCCC2)CC1 ZINC000329746893 553998922 /nfs/dbraw/zinc/99/89/22/553998922.db2.gz SBGAWQIXRJDGLI-MRXNPFEDSA-N 0 3 350.507 2.109 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000329810107 554009654 /nfs/dbraw/zinc/00/96/54/554009654.db2.gz BHRYAOMPGYDFMW-QUHUKJRKSA-N 0 3 362.474 2.131 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)C(C)S(=O)(=O)C2CCOCC2)C12CCC2 ZINC000330148401 554074284 /nfs/dbraw/zinc/07/42/84/554074284.db2.gz JJYCYUUJASTENM-VHDGCEQUSA-N 0 3 359.488 2.273 20 30 FEEDHN O=C(CN1CCN(Cc2cccc(O)c2)CC1)NC1CCN(C2CC2)CC1 ZINC000330152680 554074630 /nfs/dbraw/zinc/07/46/30/554074630.db2.gz MEMRECNBWJUSDE-UHFFFAOYSA-N 0 3 372.513 2.093 20 30 FEEDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cn1 ZINC000330189400 554081336 /nfs/dbraw/zinc/08/13/36/554081336.db2.gz VGAALCPUXARQCI-HPFXQQBRSA-N 0 3 374.489 2.146 20 30 FEEDHN CO[C@]1(C)C[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1(C)C ZINC000330205594 554085023 /nfs/dbraw/zinc/08/50/23/554085023.db2.gz CPBNUDCTXQAOOE-ZSZQSSIHSA-N 0 3 353.507 2.289 20 30 FEEDHN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000330206342 554085128 /nfs/dbraw/zinc/08/51/28/554085128.db2.gz DEMNUKRZTGSRBK-JZXOWHBKSA-N 0 3 353.507 2.147 20 30 FEEDHN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000330206344 554085156 /nfs/dbraw/zinc/08/51/56/554085156.db2.gz DEMNUKRZTGSRBK-NUJGCVRESA-N 0 3 353.507 2.147 20 30 FEEDHN C[C@H](CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1)N1CCC(C)CC1 ZINC000330223144 554087835 /nfs/dbraw/zinc/08/78/35/554087835.db2.gz MXTVXLIDBFKUFL-IAGOWNOFSA-N 0 3 353.507 2.339 20 30 FEEDHN C[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1cncc(F)c1 ZINC000330231918 554089990 /nfs/dbraw/zinc/08/99/90/554089990.db2.gz RGCNGEKFMXYRQQ-KGLIPLIRSA-N 0 3 350.438 2.381 20 30 FEEDHN O=C(CN1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1)NC1CCCCC1 ZINC000330234647 554090353 /nfs/dbraw/zinc/09/03/53/554090353.db2.gz SSAKHKJXVYEMJS-GOSISDBHSA-N 0 3 362.518 2.047 20 30 FEEDHN CC(C)c1nc([C@@H]2CCCN(C(=O)N[C@H]3CCn4ccnc4C3)C2)no1 ZINC000330243165 554091528 /nfs/dbraw/zinc/09/15/28/554091528.db2.gz CMTPQWGEDQKHIA-KGLIPLIRSA-N 0 3 358.446 2.498 20 30 FEEDHN Cc1noc(C)c1C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000330272286 554097276 /nfs/dbraw/zinc/09/72/76/554097276.db2.gz XJXXISGKXDXRHZ-KBPBESRZSA-N 0 3 364.490 2.322 20 30 FEEDHN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000330276362 554097713 /nfs/dbraw/zinc/09/77/13/554097713.db2.gz MUDRNJNEUIXDIM-MLHJIOFPSA-N 0 3 364.534 2.354 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2Cn2cncn2)cc1 ZINC000507780856 561740665 /nfs/dbraw/zinc/74/06/65/561740665.db2.gz WSOWFFWZOWYMQX-HXUWFJFHSA-N 0 3 370.416 2.197 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000330409229 554117695 /nfs/dbraw/zinc/11/76/95/554117695.db2.gz JYTRTDQFFOZWSC-WMZOPIPTSA-N 0 3 364.515 2.109 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2cccc(OCC(F)F)n2)C[C@@H]1N(C)C ZINC000330922225 554189239 /nfs/dbraw/zinc/18/92/39/554189239.db2.gz RBJITWINUYOZEN-QWRGUYRKSA-N 0 3 360.430 2.248 20 30 FEEDHN CC(C)NC(=O)NC1(C(=O)NCCN2CCC[C@H](C)C2)CCCCC1 ZINC000330969522 554195760 /nfs/dbraw/zinc/19/57/60/554195760.db2.gz JJKKJBBUSUUSFI-INIZCTEOSA-N 0 3 352.523 2.449 20 30 FEEDHN CCC1(CC)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[S@]1=O ZINC000330986939 554197340 /nfs/dbraw/zinc/19/73/40/554197340.db2.gz GHMIAKDUSDZDED-CRICUBBOSA-N 0 3 357.479 2.390 20 30 FEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000332029098 554366950 /nfs/dbraw/zinc/36/69/50/554366950.db2.gz HITSRBXPCUKXSN-CVEARBPZSA-N 0 3 356.470 2.070 20 30 FEEDHN C=C[C@@H](C)NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000332372367 554434257 /nfs/dbraw/zinc/43/42/57/554434257.db2.gz BNJDMQZWEZETTP-QZTJIDSGSA-N 0 3 357.502 2.200 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@H](CN(C)Cc2ccccc2)C(C)C)C1=O ZINC000348577021 554689266 /nfs/dbraw/zinc/68/92/66/554689266.db2.gz LKGBJUOJTBQGLZ-ZWKOTPCHSA-N 0 3 359.470 2.266 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](c2nc(C)no2)c2ccccc2)CC1 ZINC000361943887 554939697 /nfs/dbraw/zinc/93/96/97/554939697.db2.gz MHXHHVHWJOJGEA-QGZVFWFLSA-N 0 3 355.442 2.417 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCN(C(=O)c3ccoc3)CC2)CC1 ZINC000362797753 554989662 /nfs/dbraw/zinc/98/96/62/554989662.db2.gz PLHHAPNVBVWBFZ-UHFFFAOYSA-N 0 3 374.485 2.178 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)c1 ZINC000362916930 554998868 /nfs/dbraw/zinc/99/88/68/554998868.db2.gz DOKAXJLBXOTHHP-QGZVFWFLSA-N 0 3 357.454 2.277 20 30 FEEDHN N#Cc1ccc(-c2cnc(CN3CCN(C[C@H]4CCOC4)CC3)o2)cc1 ZINC000363131340 555037374 /nfs/dbraw/zinc/03/73/74/555037374.db2.gz KLABKVLTUCOZDA-QGZVFWFLSA-N 0 3 352.438 2.367 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000363397912 555095243 /nfs/dbraw/zinc/09/52/43/555095243.db2.gz YYZBTFZDIAMMBR-AWEZNQCLSA-N 0 3 366.469 2.185 20 30 FEEDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCN1C ZINC000363716434 555170519 /nfs/dbraw/zinc/17/05/19/555170519.db2.gz RPILFCVJTAAFNF-HIFRSBDPSA-N 0 3 370.432 2.829 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000363853433 555199619 /nfs/dbraw/zinc/19/96/19/555199619.db2.gz KTPGGEXENFBCIA-UHFFFAOYSA-N 0 3 354.498 2.242 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)CC1 ZINC000364005492 555231919 /nfs/dbraw/zinc/23/19/19/555231919.db2.gz SPFVQYPQOXQQJG-QGZVFWFLSA-N 0 3 362.474 2.242 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000364388297 555304355 /nfs/dbraw/zinc/30/43/55/555304355.db2.gz RWNZPZNZXNZOMD-OAHLLOKOSA-N 0 3 360.458 2.266 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc([C@H]3CCCCN3C(C)=O)n2C)CC1 ZINC000364634254 555358581 /nfs/dbraw/zinc/35/85/81/555358581.db2.gz ZZEWIPCCVGLUGV-LJQANCHMSA-N 0 3 372.513 2.479 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(CNC(C)=O)o2)CC1 ZINC000364711798 555382362 /nfs/dbraw/zinc/38/23/62/555382362.db2.gz CHCHQFVTUJGXHZ-SFHVURJKSA-N 0 3 374.485 2.413 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCCN(c3ncccc3F)CC2)CC1 ZINC000364735609 555389548 /nfs/dbraw/zinc/38/95/48/555389548.db2.gz FCTIYBJYOZNGGG-UHFFFAOYSA-N 0 3 361.465 2.093 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000512660731 561911591 /nfs/dbraw/zinc/91/15/91/561911591.db2.gz JAUGZOYTVDLFRU-UHFFFAOYSA-N 0 3 351.454 2.300 20 30 FEEDHN N#Cc1ccc(CNC(=O)NC2CCN(CCc3ccncc3)CC2)cc1 ZINC000365314050 555539439 /nfs/dbraw/zinc/53/94/39/555539439.db2.gz HGEWEOGWLUBEMU-UHFFFAOYSA-N 0 3 363.465 2.460 20 30 FEEDHN COCCN(C)CC[C@H](NC(=O)c1cnccc1C#N)c1ccccc1 ZINC000513198882 561929135 /nfs/dbraw/zinc/92/91/35/561929135.db2.gz JFNZYFLQUBJVHG-IBGZPJMESA-N 0 3 352.438 2.393 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000366003226 555724335 /nfs/dbraw/zinc/72/43/35/555724335.db2.gz XMZMIEIRUHJYJQ-GUYCJALGSA-N 0 3 363.439 2.017 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)C2)n1 ZINC000366039772 555734174 /nfs/dbraw/zinc/73/41/74/555734174.db2.gz HIXBCTRIBOWFIS-FNHZYXHNSA-N 0 3 367.497 2.077 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000366299189 555805012 /nfs/dbraw/zinc/80/50/12/555805012.db2.gz BQGQFWYAWWWYFJ-GOSISDBHSA-N 0 3 374.448 2.184 20 30 FEEDHN N#CC(CCN1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)(c1ccccc1)c1ccccc1 ZINC000366335695 555814738 /nfs/dbraw/zinc/81/47/38/555814738.db2.gz VEDLIMCRIONORT-PMACEKPBSA-N 0 3 373.456 2.481 20 30 FEEDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000514245206 561965367 /nfs/dbraw/zinc/96/53/67/561965367.db2.gz TZCURTYAASACEP-HQWNSDKXSA-N 0 3 351.491 2.483 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CN1C1CC1 ZINC000367154876 556002401 /nfs/dbraw/zinc/00/24/01/556002401.db2.gz YCOWDMCVPVHGJS-HOTGVXAUSA-N 0 3 353.470 2.274 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CN1C1CC1 ZINC000367154877 556002593 /nfs/dbraw/zinc/00/25/93/556002593.db2.gz YCOWDMCVPVHGJS-HZPDHXFCSA-N 0 3 353.470 2.274 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC2)cc1C ZINC000367460036 556056429 /nfs/dbraw/zinc/05/64/29/556056429.db2.gz XVYMPVMJASOSDG-GHTZIAJQSA-N 0 3 368.481 2.197 20 30 FEEDHN COc1cc(OC)c2ncc(C#N)c(N3CCCN([C@@H](C)CO)CC3)c2c1 ZINC000367825840 556148513 /nfs/dbraw/zinc/14/85/13/556148513.db2.gz LOBTUAKYGNUZHO-AWEZNQCLSA-N 0 3 370.453 2.017 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@H]21 ZINC000367843986 556152665 /nfs/dbraw/zinc/15/26/65/556152665.db2.gz RLQDHHXZUOPAMX-JTDSTZFVSA-N 0 3 356.445 2.076 20 30 FEEDHN N#Cc1cc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000368547145 556341837 /nfs/dbraw/zinc/34/18/37/556341837.db2.gz ZYXZAMLETIILLY-IAGOWNOFSA-N 0 3 367.409 2.096 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000369059466 556492177 /nfs/dbraw/zinc/49/21/77/556492177.db2.gz WQIIONOCLJQHAC-OAHLLOKOSA-N 0 3 370.453 2.029 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2CN2CCCC2=O)CC1 ZINC000369200076 556534139 /nfs/dbraw/zinc/53/41/39/556534139.db2.gz DMISFOGCYGHAMP-GOSISDBHSA-N 0 3 362.518 2.213 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CNCCn1c(=O)oc2ccccc21 ZINC000516049152 562028846 /nfs/dbraw/zinc/02/88/46/562028846.db2.gz YBAIUMUDKQEUNT-KRWDZBQOSA-N 0 3 368.433 2.353 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCN(c3ccccc3OC)C2)CC1 ZINC000369421804 556596645 /nfs/dbraw/zinc/59/66/45/556596645.db2.gz OUBZFZHLCKXSEW-SFHVURJKSA-N 0 3 355.482 2.125 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2COc3ccc(OCC)cc3C2)CC1 ZINC000369591245 556641096 /nfs/dbraw/zinc/64/10/96/556641096.db2.gz KBTZKIUUHAQIQC-KRWDZBQOSA-N 0 3 356.466 2.240 20 30 FEEDHN C#CCCN1CCC(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000369593643 556641793 /nfs/dbraw/zinc/64/17/93/556641793.db2.gz VIQCTXKLUXSQQE-QGZVFWFLSA-N 0 3 353.466 2.182 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)C[C@H]2[C@H]1c1ccccc1 ZINC000369677306 556665671 /nfs/dbraw/zinc/66/56/71/556665671.db2.gz DVGMLZXGUHUZMJ-MISYRCLQSA-N 0 3 367.474 2.482 20 30 FEEDHN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000369721983 556677550 /nfs/dbraw/zinc/67/75/50/556677550.db2.gz IADOOJDUVWQIMB-CEXWTWQISA-N 0 3 367.449 2.019 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3F)C2)CC1 ZINC000369756580 556686294 /nfs/dbraw/zinc/68/62/94/556686294.db2.gz GHNCAIWUUCQQQH-INIZCTEOSA-N 0 3 371.456 2.091 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1=O ZINC000369855755 556713651 /nfs/dbraw/zinc/71/36/51/556713651.db2.gz JDNDOYBWEKIBBG-RBUKOAKNSA-N 0 3 370.497 2.079 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000370295250 556832237 /nfs/dbraw/zinc/83/22/37/556832237.db2.gz VMRQRHUPBDOLJG-IIAWOOMASA-N 0 3 370.544 2.057 20 30 FEEDHN N#C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCN1C1CC1 ZINC000370970091 557031278 /nfs/dbraw/zinc/03/12/78/557031278.db2.gz VOBNQUDLEBYGOQ-UXHICEINSA-N 0 3 367.497 2.205 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNc1ccc(S(=O)(=O)NC)cn1)C(C)C ZINC000517162515 562077881 /nfs/dbraw/zinc/07/78/81/562077881.db2.gz AURYJSZDHKQHLZ-INIZCTEOSA-N 0 3 352.504 2.100 20 30 FEEDHN Cc1oc(NC(=O)CN2CCC(C)(CN3CCOCC3)CC2)c(C#N)c1C ZINC000371374153 557165314 /nfs/dbraw/zinc/16/53/14/557165314.db2.gz PRINIYMUUFZNMM-UHFFFAOYSA-N 0 3 374.485 2.141 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C)C4(CCC4)C3)CC2)o1 ZINC000371440565 557187995 /nfs/dbraw/zinc/18/79/95/557187995.db2.gz RZZXFOOZWUPDTK-OAHLLOKOSA-N 0 3 371.485 2.015 20 30 FEEDHN Cc1cc(=NC(=O)NC2CCN(Cc3cccs3)CC2)[nH]n1CCC#N ZINC000371527330 557211019 /nfs/dbraw/zinc/21/10/19/557211019.db2.gz VZMCQPNFRPXVNV-UHFFFAOYSA-N 0 3 372.498 2.953 20 30 FEEDHN Cn1cc([C@@H]2C[C@@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)cn1 ZINC000517757841 562097319 /nfs/dbraw/zinc/09/73/19/562097319.db2.gz WDCOIWYCLBMKHT-NEWSRXKRSA-N 0 3 363.421 2.011 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000371707179 557270054 /nfs/dbraw/zinc/27/00/54/557270054.db2.gz NKZCXCFOFVXATP-UHFFFAOYSA-N 0 3 368.416 2.655 20 30 FEEDHN N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H](N4CCCC4)C3)n2)c(F)c1 ZINC000371707577 557271098 /nfs/dbraw/zinc/27/10/98/557271098.db2.gz OWQOVTPWRCNXJW-HNNXBMFYSA-N 0 3 368.416 2.585 20 30 FEEDHN C=CCN(C(=O)NCCNC(=O)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372173701 557399437 /nfs/dbraw/zinc/39/94/37/557399437.db2.gz SFDWYUXWXUDWFM-LJQANCHMSA-N 0 3 372.513 2.231 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000372353633 557448615 /nfs/dbraw/zinc/44/86/15/557448615.db2.gz AYQNEBSMZQUARZ-KDOFPFPSSA-N 0 3 359.449 2.187 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000519170073 562126593 /nfs/dbraw/zinc/12/65/93/562126593.db2.gz IWRWCJAVNQCSRG-OAHLLOKOSA-N 0 3 360.477 2.117 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000373126259 557634070 /nfs/dbraw/zinc/63/40/70/557634070.db2.gz PCBGXSAKDBDYHZ-ZDUSSCGKSA-N 0 3 354.454 2.137 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000373200081 557648584 /nfs/dbraw/zinc/64/85/84/557648584.db2.gz CTRCVCYJYZXWQL-UYAOXDASSA-N 0 3 356.397 2.031 20 30 FEEDHN Cc1cc(=NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)[nH]n1CCC#N ZINC000373410790 557688608 /nfs/dbraw/zinc/68/86/08/557688608.db2.gz CKPYDVAUDPOPNV-GOSISDBHSA-N 0 3 366.469 2.749 20 30 FEEDHN N#Cc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000373430077 557691860 /nfs/dbraw/zinc/69/18/60/557691860.db2.gz JHIKZTNQOREAFO-UHFFFAOYSA-N 0 3 352.360 2.488 20 30 FEEDHN C=CCN(C(=O)NCc1ncnn1CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000373538699 557713571 /nfs/dbraw/zinc/71/35/71/557713571.db2.gz OYFGMPDWNFNTDA-SFHVURJKSA-N 0 3 368.485 2.270 20 30 FEEDHN C=CCN(C(=O)[C@H](OC)c1cnn(C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373987031 557801968 /nfs/dbraw/zinc/80/19/68/557801968.db2.gz WKAQBLPXRMZBJZ-WOJBJXKFSA-N 0 3 368.481 2.397 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1[C@@H]1CCCN1C(C)=O ZINC000374175766 557837650 /nfs/dbraw/zinc/83/76/50/557837650.db2.gz PHZQHISQGMRVHW-MSOLQXFVSA-N 0 3 357.454 2.421 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@](CO)(c3ccccc3)C2)cc1 ZINC000374559279 557899768 /nfs/dbraw/zinc/89/97/68/557899768.db2.gz FZZQKHHLCWHALI-IRLDBZIGSA-N 0 3 366.461 2.324 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CCN(CCc2ccncc2)CC1 ZINC000375011729 557963690 /nfs/dbraw/zinc/96/36/90/557963690.db2.gz HXJRGCGIVFAHAP-NRFANRHFSA-N 0 3 371.529 2.075 20 30 FEEDHN CN1CCC[C@H](N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C1 ZINC000375033578 557967512 /nfs/dbraw/zinc/96/75/12/557967512.db2.gz WXLARUFPRBGKJC-IBGZPJMESA-N 0 3 352.482 2.094 20 30 FEEDHN C[C@H]1C[C@H](CNS(=O)(=O)c2cccnc2C#N)CN1Cc1ccccc1 ZINC000375440147 558027587 /nfs/dbraw/zinc/02/75/87/558027587.db2.gz YLRPOVXZKUUUTA-DOTOQJQBSA-N 0 3 370.478 2.142 20 30 FEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)cc1 ZINC000375517606 558041992 /nfs/dbraw/zinc/04/19/92/558041992.db2.gz XBALDVFOBPFFHF-WIBUTAKZSA-N 0 3 352.438 2.103 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)cc1 ZINC000375521234 558042475 /nfs/dbraw/zinc/04/24/75/558042475.db2.gz PMSJFUNOPJSCJE-AEFFLSMTSA-N 0 3 358.401 2.483 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000375918686 558099742 /nfs/dbraw/zinc/09/97/42/558099742.db2.gz WZMWGBGKSPYRKL-FQEVSTJZSA-N 0 3 373.460 2.416 20 30 FEEDHN C#CC[C@H](NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)c1ccccc1 ZINC000376208078 558141227 /nfs/dbraw/zinc/14/12/27/558141227.db2.gz CFARIUKQPVNEKA-PMACEKPBSA-N 0 3 354.498 2.172 20 30 FEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000521691460 562182325 /nfs/dbraw/zinc/18/23/25/562182325.db2.gz VIODGMSVXAKVAM-IRXDYDNUSA-N 0 3 370.501 2.048 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccnc(-n3cccn3)c2)cc1 ZINC000376433121 558172689 /nfs/dbraw/zinc/17/26/89/558172689.db2.gz JTOKSQUAZUSFPO-GOSISDBHSA-N 0 3 356.389 2.138 20 30 FEEDHN C#CCN(Cc1ccccc1)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000376618673 558198658 /nfs/dbraw/zinc/19/86/58/558198658.db2.gz YQXANLPOPXGURQ-UHFFFAOYSA-N 0 3 351.454 2.817 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]3COC[C@H]32)cc1 ZINC000376625997 558199394 /nfs/dbraw/zinc/19/93/94/558199394.db2.gz AMFISIKBAFFAOF-DVOMOZLQSA-N 0 3 363.439 2.015 20 30 FEEDHN C=CCCCCCCNC(=O)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000377044104 558255311 /nfs/dbraw/zinc/25/53/11/558255311.db2.gz OAGDSSNEBKWDRD-QGZVFWFLSA-N 0 3 371.547 2.074 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000377256199 558299854 /nfs/dbraw/zinc/29/98/54/558299854.db2.gz RIQYUXGOBVNMLZ-LJQANCHMSA-N 0 3 357.498 2.109 20 30 FEEDHN Cn1cc([C@@H]2CN(Cc3cccc(OCCCC#N)c3)C[C@H]2CO)cn1 ZINC000377273411 558303551 /nfs/dbraw/zinc/30/35/51/558303551.db2.gz NREJLDQXDYUZMK-ICSRJNTNSA-N 0 3 354.454 2.311 20 30 FEEDHN CN1CC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000377650466 558386712 /nfs/dbraw/zinc/38/67/12/558386712.db2.gz IZAPGWKZPJDTJT-VQTJNVASSA-N 0 3 369.490 2.367 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](NC(=O)CC)C1)C(C)C ZINC000522802717 562203984 /nfs/dbraw/zinc/20/39/84/562203984.db2.gz DHAULMSDCPSZMW-ZWKOTPCHSA-N 0 3 364.534 2.385 20 30 FEEDHN CCOC(=O)c1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000378458610 558562054 /nfs/dbraw/zinc/56/20/54/558562054.db2.gz XIEJXHUSWJGCFD-UHFFFAOYSA-N 0 3 354.410 2.482 20 30 FEEDHN C[C@H](C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)n1cnc(C#N)n1 ZINC000409694721 558714009 /nfs/dbraw/zinc/71/40/09/558714009.db2.gz NHGPQHMMDKQCJE-LSDHHAIUSA-N 0 3 352.442 2.053 20 30 FEEDHN N#Cc1cccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000524976939 562238957 /nfs/dbraw/zinc/23/89/57/562238957.db2.gz IVZIFSBEOOCBEC-FQEVSTJZSA-N 0 3 350.422 2.317 20 30 FEEDHN C=CCN(C)CCN(CC)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000411646887 558935394 /nfs/dbraw/zinc/93/53/94/558935394.db2.gz WOOOYNPDGGYZNQ-IBGZPJMESA-N 0 3 361.486 2.249 20 30 FEEDHN CN(C)c1noc([C@@H]2CCCN(CCC(=O)Nc3ccccc3C#N)C2)n1 ZINC000411692635 558945345 /nfs/dbraw/zinc/94/53/45/558945345.db2.gz POPVKQOCZGIZOW-OAHLLOKOSA-N 0 3 368.441 2.215 20 30 FEEDHN N#Cc1cccc(NC(=O)CCNC2(C(N)=O)C3CC4CC(C3)CC2C4)c1 ZINC000411814071 558968482 /nfs/dbraw/zinc/96/84/82/558968482.db2.gz BWODNPUEPFXPNA-UHFFFAOYSA-N 0 3 366.465 2.157 20 30 FEEDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)NC1(C#N)CCC1 ZINC000525893723 562258819 /nfs/dbraw/zinc/25/88/19/562258819.db2.gz IMHFYTFRFPPMRA-INIZCTEOSA-N 0 3 350.850 2.435 20 30 FEEDHN COC(=O)[C@H]1CSCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000412086044 559011452 /nfs/dbraw/zinc/01/14/52/559011452.db2.gz UXRNTQIIQFNCOD-QGZVFWFLSA-N 0 3 370.478 2.297 20 30 FEEDHN CCN1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000413263698 559093307 /nfs/dbraw/zinc/09/33/07/559093307.db2.gz MSQHBGOWZWZDBG-HZPDHXFCSA-N 0 3 359.449 2.060 20 30 FEEDHN N#CCC1(CNC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC000413513214 559113233 /nfs/dbraw/zinc/11/32/33/559113233.db2.gz KYOQHMXGOJZJIM-UHFFFAOYSA-N 0 3 356.470 2.007 20 30 FEEDHN N#CC[C@@H]1CC[C@H](NC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000413590199 559118779 /nfs/dbraw/zinc/11/87/79/559118779.db2.gz QJCQQBWHCCDVNT-HKUYNNGSSA-N 0 3 370.497 2.395 20 30 FEEDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000415117910 559206195 /nfs/dbraw/zinc/20/61/95/559206195.db2.gz CPEDYBSVDYCZDZ-SKDRFNHKSA-N 0 3 354.357 2.394 20 30 FEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1ccccc1CNC ZINC000415234368 559216922 /nfs/dbraw/zinc/21/69/22/559216922.db2.gz UFYHDCQIQWDYKQ-UHFFFAOYSA-N 0 3 371.437 2.035 20 30 FEEDHN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CN)C3CC3)cc2)cc1 ZINC000415445440 559237836 /nfs/dbraw/zinc/23/78/36/559237836.db2.gz FIEJCXRSFFXKRG-SFHVURJKSA-N 0 3 364.405 2.143 20 30 FEEDHN N#Cc1cccc([C@@H]2CN(C(=O)NC[C@@H](N)c3ccccc3)CCO2)c1 ZINC000418426502 559401037 /nfs/dbraw/zinc/40/10/37/559401037.db2.gz JZOPYGUJFAEDIU-MOPGFXCFSA-N 0 3 350.422 2.341 20 30 FEEDHN C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)CN)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419208276 559432671 /nfs/dbraw/zinc/43/26/71/559432671.db2.gz NYCGNOOZOIYIOD-LSDHHAIUSA-N 0 3 364.449 2.208 20 30 FEEDHN C=CC[C@H]1N(C(=O)C(=O)NCc2ccc3c(c2)CNC3)CCCC1(C)C ZINC000420106806 559473012 /nfs/dbraw/zinc/47/30/12/559473012.db2.gz VDVVALMXVSBMBO-GOSISDBHSA-N 0 3 355.482 2.499 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420473805 559489474 /nfs/dbraw/zinc/48/94/74/559489474.db2.gz WQHHCVMAAXWMFY-DLBZAZTESA-N 0 3 359.426 2.121 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000420886038 559509364 /nfs/dbraw/zinc/50/93/64/559509364.db2.gz KCGFLSQIBLARJQ-UHFFFAOYSA-N 0 3 357.439 2.055 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCC2(O)CCC2)cc1 ZINC000421106852 559524397 /nfs/dbraw/zinc/52/43/97/559524397.db2.gz KOFOFRGROHAROR-CYBMUJFWSA-N 0 3 365.455 2.189 20 30 FEEDHN CN(C(=O)C(=O)NCC(C)(C)CC#N)C1CCN(Cc2ccccc2)CC1 ZINC000422481371 559591062 /nfs/dbraw/zinc/59/10/62/559591062.db2.gz PIIQPHAFZZUVML-UHFFFAOYSA-N 0 3 370.497 2.165 20 30 FEEDHN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H](N)CCCC#N ZINC000424072101 559653657 /nfs/dbraw/zinc/65/36/57/559653657.db2.gz CHSIMDZBFWKHFS-GFCCVEGCSA-N 0 3 357.241 2.411 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000424181344 559657016 /nfs/dbraw/zinc/65/70/16/559657016.db2.gz CAASGDHHPSJSHH-NWDGAFQWSA-N 0 3 356.195 2.159 20 30 FEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000424333485 559661496 /nfs/dbraw/zinc/66/14/96/559661496.db2.gz UIXAIXUFIXCDLY-YQQAZPJKSA-N 0 3 363.483 2.050 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425883588 559723851 /nfs/dbraw/zinc/72/38/51/559723851.db2.gz MRCMABLJPUQGRW-BRWVUGGUSA-N 0 3 370.497 2.314 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N(C)C ZINC000425953057 559725932 /nfs/dbraw/zinc/72/59/32/559725932.db2.gz JDYIAOSRTUPVRI-CQSZACIVSA-N 0 3 366.421 2.355 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000428591678 559779279 /nfs/dbraw/zinc/77/92/79/559779279.db2.gz RMRYWNFPIXNQKH-AZUAARDMSA-N 0 3 361.461 2.241 20 30 FEEDHN CN(C)[C@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000431625269 559842868 /nfs/dbraw/zinc/84/28/68/559842868.db2.gz YSLFNTVELJNTDP-LJQANCHMSA-N 0 3 363.465 2.295 20 30 FEEDHN CS(=O)(=O)Nc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433223882 559874142 /nfs/dbraw/zinc/87/41/42/559874142.db2.gz UQONPUOVLZLHTB-KRWDZBQOSA-N 0 3 371.462 2.447 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433358542 559878515 /nfs/dbraw/zinc/87/85/15/559878515.db2.gz BUTBCZNDGPFUQS-UYAOXDASSA-N 0 3 356.514 2.149 20 30 FEEDHN CN(C)CCc1ccccc1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000446048422 560138529 /nfs/dbraw/zinc/13/85/29/560138529.db2.gz UDNLLGFTNOCYBY-UHFFFAOYSA-N 0 3 368.412 2.056 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCc3nc(C(C)(C)C)ncc3C2)CC1 ZINC000527768629 562303193 /nfs/dbraw/zinc/30/31/93/562303193.db2.gz QWUSCYDCXFLJFG-UHFFFAOYSA-N 0 3 357.502 2.492 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000449520767 560232668 /nfs/dbraw/zinc/23/26/68/560232668.db2.gz QBNHJJMCXQKZGO-OIISXLGYSA-N 0 3 362.470 2.374 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449835382 560241941 /nfs/dbraw/zinc/24/19/41/560241941.db2.gz PHLSDVHEGJHMQW-ZDUSSCGKSA-N 0 3 366.259 2.252 20 30 FEEDHN CCN(CCNC(=O)COc1ccc(C#N)c(Br)c1)C1CC1 ZINC000449841417 560242127 /nfs/dbraw/zinc/24/21/27/560242127.db2.gz VKKYHIVDRUMPME-UHFFFAOYSA-N 0 3 366.259 2.300 20 30 FEEDHN C=CCC1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CCCCC1 ZINC000449937687 560245775 /nfs/dbraw/zinc/24/57/75/560245775.db2.gz CPOGTASQTXQCDO-UHFFFAOYSA-N 0 3 361.490 2.026 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000450070508 560249861 /nfs/dbraw/zinc/24/98/61/560249861.db2.gz ZRRWVMAABHETLO-DKKFBQAASA-N 0 3 350.503 2.315 20 30 FEEDHN CC(C)(CNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCCCC1 ZINC000451036892 560283865 /nfs/dbraw/zinc/28/38/65/560283865.db2.gz MWVHLNLZFPZPMR-UHFFFAOYSA-N 0 3 353.463 2.381 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3ccc(F)cc3C#N)C2)CC1 ZINC000451530161 560312411 /nfs/dbraw/zinc/31/24/11/560312411.db2.gz HMABASVGFRYASO-GOSISDBHSA-N 0 3 372.488 2.464 20 30 FEEDHN CN(C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(CC#N)c2)c1 ZINC000453607242 560390795 /nfs/dbraw/zinc/39/07/95/560390795.db2.gz YZOQPXHBQYOIOX-UHFFFAOYSA-N 0 3 350.422 2.069 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCN1C ZINC000453666043 560394887 /nfs/dbraw/zinc/39/48/87/560394887.db2.gz WBQBKQTZPVOVHB-CJNGLKHVSA-N 0 3 372.469 2.273 20 30 FEEDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCN1C ZINC000453713408 560399017 /nfs/dbraw/zinc/39/90/17/560399017.db2.gz IFBARBBEZMUTEX-GXTWGEPZSA-N 0 3 362.861 2.286 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000453960883 560417004 /nfs/dbraw/zinc/41/70/04/560417004.db2.gz ZFOUCNOGFHKMTC-MSOLQXFVSA-N 0 3 357.454 2.071 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)CC1 ZINC000454536864 560448716 /nfs/dbraw/zinc/44/87/16/560448716.db2.gz GOLFHVBUIJGQBK-RTBURBONSA-N 0 3 371.481 2.235 20 30 FEEDHN N#Cc1cccnc1-n1cc(NC(=O)C2CN(C3CCCCC3)C2)cn1 ZINC000457734605 560584761 /nfs/dbraw/zinc/58/47/61/560584761.db2.gz FRULMWFDXWCSFF-UHFFFAOYSA-N 0 3 350.426 2.342 20 30 FEEDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000459585142 560696167 /nfs/dbraw/zinc/69/61/67/560696167.db2.gz OUGWQIQOQJXVAU-JXFKEZNVSA-N 0 3 360.454 2.352 20 30 FEEDHN CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000460053999 560731837 /nfs/dbraw/zinc/73/18/37/560731837.db2.gz MXAUTOMCQABTHN-LMMKCTJWSA-N 0 3 370.497 2.288 20 30 FEEDHN C=C(C)Cn1c(CC2CC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000460387968 560743011 /nfs/dbraw/zinc/74/30/11/560743011.db2.gz NFNHYOXFYLMZIE-MRXNPFEDSA-N 0 3 359.518 2.496 20 30 FEEDHN CCOCc1nc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)no1 ZINC000461231442 560764449 /nfs/dbraw/zinc/76/44/49/560764449.db2.gz XVQPWUDGWCMNLE-IUODEOHRSA-N 0 3 353.382 2.037 20 30 FEEDHN N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000461482732 560773616 /nfs/dbraw/zinc/77/36/16/560773616.db2.gz SBFWOPNIZREIHS-RBUKOAKNSA-N 0 3 372.488 2.389 20 30 FEEDHN CC(C)N1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000462095643 560796784 /nfs/dbraw/zinc/79/67/84/560796784.db2.gz WLZDYNHZINFSSF-UHFFFAOYSA-N 0 3 353.430 2.087 20 30 FEEDHN N#CCc1ccc(CN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000466355732 560884933 /nfs/dbraw/zinc/88/49/33/560884933.db2.gz JYOYCLVFQIENSL-JOCHJYFZSA-N 0 3 374.444 2.449 20 30 FEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000468472062 560930889 /nfs/dbraw/zinc/93/08/89/560930889.db2.gz ZQAABUUNAGMECK-LIRRHRJNSA-N 0 3 351.491 2.485 20 30 FEEDHN COCCN1CC[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 ZINC000469132239 560947965 /nfs/dbraw/zinc/94/79/65/560947965.db2.gz WCIQAAKVXGCQPJ-GOSISDBHSA-N 0 3 356.470 2.402 20 30 FEEDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470832810 560991105 /nfs/dbraw/zinc/99/11/05/560991105.db2.gz TVUONCYWIZRQGG-HNNXBMFYSA-N 0 3 364.361 2.474 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000470988079 560995941 /nfs/dbraw/zinc/99/59/41/560995941.db2.gz BNEIMTWXQZLMNE-IEBWSBKVSA-N 0 3 353.422 2.037 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCN(C)C[C@@H]2C(C)C)c(OC)c1 ZINC000471211256 561000591 /nfs/dbraw/zinc/00/05/91/561000591.db2.gz ILBPLRQUQQWPMM-RTBURBONSA-N 0 3 362.514 2.435 20 30 FEEDHN CC(C)c1noc(CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000471955009 561015053 /nfs/dbraw/zinc/01/50/53/561015053.db2.gz QLTWXBJHHYSVQL-MRXNPFEDSA-N 0 3 351.410 2.496 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472090152 561017830 /nfs/dbraw/zinc/01/78/30/561017830.db2.gz ZDTYVZYMBDOBEA-GOSISDBHSA-N 0 3 368.481 2.246 20 30 FEEDHN CC(=O)N[C@H](C)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472595125 561030519 /nfs/dbraw/zinc/03/05/19/561030519.db2.gz GFOBCFHIRNUUGT-AUUYWEPGSA-N 0 3 352.438 2.004 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000475666207 561101838 /nfs/dbraw/zinc/10/18/38/561101838.db2.gz HIHFIQDYXZOBST-LJQANCHMSA-N 0 3 370.497 2.087 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(C3CC3)c2)cc1OC ZINC000528919240 562352779 /nfs/dbraw/zinc/35/27/79/562352779.db2.gz LNWDCRVLANKJQH-AWEZNQCLSA-N 0 3 354.366 2.196 20 30 FEEDHN COc1ccc(CC(=O)C(C#N)C(=O)N2CCCC2)cc1OC(F)F ZINC000528916826 562352863 /nfs/dbraw/zinc/35/28/63/562352863.db2.gz RXYPRWRONZQKRA-GFCCVEGCSA-N 0 3 352.337 2.170 20 30 FEEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cc2ccc(C#N)nc2)cc1 ZINC000528943050 562353839 /nfs/dbraw/zinc/35/38/39/562353839.db2.gz LKDUOYMAEQVKRQ-HXUWFJFHSA-N 0 3 364.449 2.458 20 30 FEEDHN COc1ccccc1N1CC[C@@H](NC[C@H](O)COc2ccccc2C#N)C1 ZINC000530232838 562403277 /nfs/dbraw/zinc/40/32/77/562403277.db2.gz TTWKAZZFGKKYMX-MSOLQXFVSA-N 0 3 367.449 2.175 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000532067625 562465796 /nfs/dbraw/zinc/46/57/96/562465796.db2.gz QMKBURSUUXXMNR-KSSFIOAISA-N 0 3 371.460 2.012 20 30 FEEDHN C=C[C@@H](CC(=O)NC1CCN(CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000535389144 562557532 /nfs/dbraw/zinc/55/75/32/562557532.db2.gz KMKFERCWFJLHTR-KRWDZBQOSA-N 0 3 357.498 2.405 20 30 FEEDHN N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CN4CCN3CCC4)n2)c1 ZINC000535728905 562565727 /nfs/dbraw/zinc/56/57/27/562565727.db2.gz CTJHIFFMJYYUNJ-INIZCTEOSA-N 0 3 353.451 2.010 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)C2(c3cccc(C#N)c3)CC2)ccn1 ZINC000536483583 562576798 /nfs/dbraw/zinc/57/67/98/562576798.db2.gz UYGHJAMYQXIIRB-UHFFFAOYSA-N 0 3 364.449 2.242 20 30 FEEDHN C=CCOc1cccnc1C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000537170751 562586878 /nfs/dbraw/zinc/58/68/78/562586878.db2.gz SUTBXWWSNAIMOF-INIZCTEOSA-N 0 3 371.437 2.200 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NC3CCN(C(=O)C4CC4)CC3)C2=O)cc1 ZINC000540906084 562596293 /nfs/dbraw/zinc/59/62/93/562596293.db2.gz VJHVSQBYYZMZTN-LJQANCHMSA-N 0 3 366.465 2.044 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC000601730898 567820190 /nfs/dbraw/zinc/82/01/90/567820190.db2.gz YOOSHVCGIIEDNF-FQEVSTJZSA-N 0 3 374.444 2.291 20 30 FEEDHN CC1CC(n2nnc3c2CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC3)C1 ZINC000601833780 567854852 /nfs/dbraw/zinc/85/48/52/567854852.db2.gz LFEZCVCZIAPJKI-GMXGEUMGSA-N 0 3 374.448 2.388 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000602509504 567989143 /nfs/dbraw/zinc/98/91/43/567989143.db2.gz YYRJBQROQWIYCY-KRWDZBQOSA-N 0 3 371.481 2.348 20 30 FEEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)N1CC#N ZINC000602864384 568007872 /nfs/dbraw/zinc/00/78/72/568007872.db2.gz QKKRCWGSQBXRFQ-OKILXGFUSA-N 0 3 359.861 2.458 20 30 FEEDHN N#CCCN(C(=O)CN[C@H]([C@H]1CCCO1)C1(CO)CCC1)c1ccccc1 ZINC000602894582 568013840 /nfs/dbraw/zinc/01/38/40/568013840.db2.gz XXQGLQXGEQSDLE-UYAOXDASSA-N 0 3 371.481 2.233 20 30 FEEDHN C=CCC[C@@H](O)CN1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 ZINC000602969013 568026298 /nfs/dbraw/zinc/02/62/98/568026298.db2.gz XBBWDCLGDPNWAX-CYBMUJFWSA-N 0 3 372.416 2.356 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2cccc(OCCN(C)C)c2)C[C@H](C)N1CC#N ZINC000602794893 568034901 /nfs/dbraw/zinc/03/49/01/568034901.db2.gz DZUPJVOLYPTYCY-HOTGVXAUSA-N 0 3 359.474 2.077 20 30 FEEDHN C[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H](C)N1CC#N ZINC000603097849 568060221 /nfs/dbraw/zinc/06/02/21/568060221.db2.gz GSFYNGFYRBNEIL-QZTJIDSGSA-N 0 3 354.498 2.343 20 30 FEEDHN Cc1cc(N(CCC#N)C(=O)Cn2cc(CCN(C)C)nn2)ccc1Cl ZINC000603192709 568072256 /nfs/dbraw/zinc/07/22/56/568072256.db2.gz YDHZCAFHJKJKQQ-UHFFFAOYSA-N 0 3 374.876 2.291 20 30 FEEDHN CN(C)C(=O)C1(NCCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000568967791 568258580 /nfs/dbraw/zinc/25/85/80/568258580.db2.gz ANSFLYUVIGNOJN-UHFFFAOYSA-N 0 3 360.483 2.038 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000556818673 674422241 /nfs/dbraw/zinc/42/22/41/674422241.db2.gz JFXZUYRKIMWCOE-CZUORRHYSA-N 0 3 351.447 2.086 20 30 FEEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000819739678 606559157 /nfs/dbraw/zinc/55/91/57/606559157.db2.gz CQQILDTUNAWQOR-ZDUSSCGKSA-N 0 3 360.487 2.357 20 30 FEEDHN N#C[C@H](c1cccc(Cl)c1)N1CCN(C[C@@H]2CCNC(=O)CC2)CC1 ZINC000562542256 674767227 /nfs/dbraw/zinc/76/72/27/674767227.db2.gz HFGOHNMIQKWDBN-MAUKXSAKSA-N 0 3 360.889 2.439 20 30 FEEDHN Cc1ccc(OCCCNCCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000562988410 674831643 /nfs/dbraw/zinc/83/16/43/674831643.db2.gz ZGTIHFYNIGRTDY-UHFFFAOYSA-N 0 3 359.451 2.094 20 30 FEEDHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000815530184 674957563 /nfs/dbraw/zinc/95/75/63/674957563.db2.gz BATDMCVPIMCNOD-LBPRGKRZSA-N 0 3 362.499 2.456 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000815860447 674978887 /nfs/dbraw/zinc/97/88/87/674978887.db2.gz LRSOQFDGXCRRFA-UHFFFAOYSA-N 0 3 355.410 2.011 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCCCNC1=O ZINC000078384308 670586126 /nfs/dbraw/zinc/58/61/26/670586126.db2.gz LJFFMXBHDRVGGG-OAHLLOKOSA-N 0 3 363.531 2.253 20 30 FEEDHN COc1ccc(C)cc1CCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000571396787 670868113 /nfs/dbraw/zinc/86/81/13/670868113.db2.gz MJIICNGIVKLSPU-UHFFFAOYSA-N 0 3 358.463 2.481 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccccc1Br ZINC000112484001 670872303 /nfs/dbraw/zinc/87/23/03/670872303.db2.gz MXKJRRIOZNYILM-GHMZBOCLSA-N 0 3 351.200 2.227 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116591784 670906618 /nfs/dbraw/zinc/90/66/18/670906618.db2.gz QJXJAERTCVTYFR-YNEHKIRRSA-N 0 3 350.365 2.320 20 30 FEEDHN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000574750043 671274304 /nfs/dbraw/zinc/27/43/04/671274304.db2.gz ISEHABIJGLCRNY-GFCCVEGCSA-N 0 3 365.405 2.398 20 30 FEEDHN Cc1csc(CCCCNCCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000579582266 671746238 /nfs/dbraw/zinc/74/62/38/671746238.db2.gz SQPNGYHUMVLUOP-UHFFFAOYSA-N 0 3 364.496 2.104 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](CO)CC2CCCCC2)cc1 ZINC000582725973 672028961 /nfs/dbraw/zinc/02/89/61/672028961.db2.gz IKHOQZZKXSOREV-KRWDZBQOSA-N 0 3 350.484 2.253 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000170709526 672323973 /nfs/dbraw/zinc/32/39/73/672323973.db2.gz RKAIPIAJAFUMOI-CYBMUJFWSA-N 0 3 361.423 2.116 20 30 FEEDHN N#Cc1cc(Br)ccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000588200423 672456936 /nfs/dbraw/zinc/45/69/36/672456936.db2.gz RTKQRNGGKFZNIP-SJORKVTESA-N 0 3 364.287 2.352 20 30 FEEDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(CCCOc2cccc(C#N)c2)C1 ZINC000592186174 672768970 /nfs/dbraw/zinc/76/89/70/672768970.db2.gz TYBRFSZWISASFT-MRXNPFEDSA-N 0 3 355.360 2.328 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(S(C)(=O)=O)ccc2C)CC1 ZINC000592524203 672810785 /nfs/dbraw/zinc/81/07/85/672810785.db2.gz YPHOMHJURIHTHT-UHFFFAOYSA-N 0 3 351.472 2.170 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000594433581 673071291 /nfs/dbraw/zinc/07/12/91/673071291.db2.gz HMJSSUVNYPMXAX-AWEZNQCLSA-N 0 3 368.279 2.220 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000595256912 673214516 /nfs/dbraw/zinc/21/45/16/673214516.db2.gz FFZQOBBNHICSQA-HUUCEWRRSA-N 0 3 366.259 2.370 20 30 FEEDHN COC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1CCOCC1 ZINC000595617044 673273842 /nfs/dbraw/zinc/27/38/42/673273842.db2.gz UUPSSJHNGSUHIL-MRXNPFEDSA-N 0 3 351.834 2.181 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000730839331 673293142 /nfs/dbraw/zinc/29/31/42/673293142.db2.gz LEPXQDLFYXCBRV-INIZCTEOSA-N 0 3 354.372 2.200 20 30 FEEDHN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000730919424 673295385 /nfs/dbraw/zinc/29/53/85/673295385.db2.gz CYJAVRUJYMWNML-JTQLQIEISA-N 0 3 372.805 2.423 20 30 FEEDHN N#C[C@H](c1cccc(Cl)c1)N1CCN(CCN2CCCOCC2)CC1 ZINC000463211479 673300790 /nfs/dbraw/zinc/30/07/90/673300790.db2.gz FSNLYZMETXUYHP-LJQANCHMSA-N 0 3 362.905 2.245 20 30 FEEDHN C=CCCSCCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000596721624 673407201 /nfs/dbraw/zinc/40/72/01/673407201.db2.gz LVDVVUQYTGYQLS-IBGZPJMESA-N 0 3 363.527 2.232 20 30 FEEDHN C#CCOc1ccc(CNCc2ccc(CS(=O)(=O)NC)cc2)cc1 ZINC000733325375 673409948 /nfs/dbraw/zinc/40/99/48/673409948.db2.gz KWNBMSJDDKMWKK-UHFFFAOYSA-N 0 3 358.463 2.038 20 30 FEEDHN CS[C@@H]1CN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H]1N(C)C ZINC000540589134 673548484 /nfs/dbraw/zinc/54/84/84/673548484.db2.gz OETCJKZQXPFYKU-XFHVWQCUSA-N 0 3 366.575 2.283 20 30 FEEDHN CC(C)[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)CCN1 ZINC000598571258 673584910 /nfs/dbraw/zinc/58/49/10/673584910.db2.gz IPTKVGCKJVAYRB-AWEZNQCLSA-N 0 3 366.259 2.156 20 30 FEEDHN N#Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000742291704 673719453 /nfs/dbraw/zinc/71/94/53/673719453.db2.gz IMKGOAHENNKVPU-AWEZNQCLSA-N 0 3 351.447 2.336 20 30 FEEDHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000743980354 673777651 /nfs/dbraw/zinc/77/76/51/673777651.db2.gz LMLBMGDPFYZITK-AWEZNQCLSA-N 0 3 360.483 2.231 20 30 FEEDHN N#Cc1cnc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c2sccc21 ZINC000601133081 673827935 /nfs/dbraw/zinc/82/79/35/673827935.db2.gz TVBVFYQFUQRALK-OAHLLOKOSA-N 0 3 355.467 2.086 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000601387200 673853230 /nfs/dbraw/zinc/85/32/30/673853230.db2.gz PVKYVSQQFPLTTE-CYBMUJFWSA-N 0 3 353.463 2.357 20 30 FEEDHN COc1cnccc1N1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603368046 673926923 /nfs/dbraw/zinc/92/69/23/673926923.db2.gz DPVLHKHEVLWZRV-UHFFFAOYSA-N 0 3 374.242 2.446 20 30 FEEDHN C=CCn1c(C2CC2)nn(CN2CCN(C(C)(C)COC)CC2)c1=S ZINC000819893117 675320722 /nfs/dbraw/zinc/32/07/22/675320722.db2.gz FCBGXXGNDNQGJD-UHFFFAOYSA-N 0 3 365.547 2.478 20 30 FEEDHN C=CCOc1c(Br)cc(CN[C@@H]2COCC[C@H]2O)cc1OC ZINC000631258353 676939600 /nfs/dbraw/zinc/93/96/00/676939600.db2.gz SDKWAYKYAQKDQG-ZIAGYGMSSA-N 0 3 372.259 2.262 20 30 FEEDHN C=CC[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000658606255 678106276 /nfs/dbraw/zinc/10/62/76/678106276.db2.gz OAIMDRHGSRYUFC-INIZCTEOSA-N 0 3 363.527 2.453 20 30 FEEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000752084837 680222912 /nfs/dbraw/zinc/22/29/12/680222912.db2.gz XUVBLHOHWRBEBY-HZPDHXFCSA-N 0 3 351.491 2.422 20 30 FEEDHN CO[C@@H]1COCC[C@H]1CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835340216 680321260 /nfs/dbraw/zinc/32/12/60/680321260.db2.gz KIAYLSCYJBKEFD-YSVLISHTSA-N 0 3 364.829 2.107 20 30 FEEDHN N#CC(C(=O)COCC1CCCC1)C(=O)NCc1ccc(F)cc1F ZINC000835341089 680321305 /nfs/dbraw/zinc/32/13/05/680321305.db2.gz QQCJVQYJDJWHLC-HNNXBMFYSA-N 0 3 350.365 2.497 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CNCc2csnc2OC)C1 ZINC001027117394 680355522 /nfs/dbraw/zinc/35/55/22/680355522.db2.gz XJQZYGPQPASOSJ-BPUTZDHNSA-N 0 3 365.499 2.071 20 30 FEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1 ZINC001028606137 680379323 /nfs/dbraw/zinc/37/93/23/680379323.db2.gz MIFXKAIOGPXKGY-DAXOMENPSA-N 0 3 355.467 2.085 20 30 FEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1 ZINC001028606137 680379327 /nfs/dbraw/zinc/37/93/27/680379327.db2.gz MIFXKAIOGPXKGY-DAXOMENPSA-N 0 3 355.467 2.085 20 30 FEEDHN C[C@@]1(C(N)=O)CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000755254150 680406929 /nfs/dbraw/zinc/40/69/29/680406929.db2.gz TXLFNTGHOHUROF-XIKOKIGWSA-N 0 3 356.451 2.202 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(OC)c(Br)c1 ZINC000836270244 680442892 /nfs/dbraw/zinc/44/28/92/680442892.db2.gz PKAKUROEIPLLRF-UHFFFAOYSA-N 0 3 368.275 2.212 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(CCc2scnc2C)CC1 ZINC001001172412 680453352 /nfs/dbraw/zinc/45/33/52/680453352.db2.gz VPLAVKABGJUPEZ-SJORKVTESA-N 0 3 361.511 2.333 20 30 FEEDHN C#CCN(C)CCCNC(=O)NOCc1ccc(F)cc1Br ZINC000836415458 680466429 /nfs/dbraw/zinc/46/64/29/680466429.db2.gz JAZUOHRJYOEEPQ-UHFFFAOYSA-N 0 3 372.238 2.274 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000836455274 680472062 /nfs/dbraw/zinc/47/20/62/680472062.db2.gz GDOFOALSSVKGHV-UHFFFAOYSA-N 0 3 374.229 2.482 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000836490046 680476513 /nfs/dbraw/zinc/47/65/13/680476513.db2.gz DKKNHZAAGVZOIX-UHFFFAOYSA-N 0 3 364.287 2.472 20 30 FEEDHN CC[C@H](C(=O)N1CC[C@H]2CN(c3nc(C#N)c(Cl)s3)C[C@H]21)N(C)C ZINC001040670474 680482572 /nfs/dbraw/zinc/48/25/72/680482572.db2.gz FWXQEIXCBDTEMC-CYZMBNFOSA-N 0 3 367.906 2.045 20 30 FEEDHN C=CCNc1ncc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)s1 ZINC000771021117 681037071 /nfs/dbraw/zinc/03/70/71/681037071.db2.gz PFUQXLHAVZSPQN-AWEZNQCLSA-N 0 3 350.488 2.114 20 30 FEEDHN CN(CCc1cnccn1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000771462865 681056320 /nfs/dbraw/zinc/05/63/20/681056320.db2.gz YIMLCEFCRGHVBG-CQSZACIVSA-N 0 3 351.435 2.437 20 30 FEEDHN C#C[C@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCCO1 ZINC000775795954 681335626 /nfs/dbraw/zinc/33/56/26/681335626.db2.gz QMDLIZWEPYKPFU-UONOGXRCSA-N 0 3 356.495 2.465 20 30 FEEDHN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCNC(C)(C)C1 ZINC000847544822 681393869 /nfs/dbraw/zinc/39/38/69/681393869.db2.gz BKNMWUVWWOQNTP-CQSZACIVSA-N 0 3 352.479 2.174 20 30 FEEDHN CO[C@@H](C(=O)C(C#N)C(=O)NC1CC1)c1ccccc1Br ZINC000847623557 681407329 /nfs/dbraw/zinc/40/73/29/681407329.db2.gz ASVNGUSIFBUDNH-SMDDNHRTSA-N 0 3 351.200 2.124 20 30 FEEDHN CO[C@@H](C(=O)C(C#N)C(=O)NC(C)C)c1ccccc1Br ZINC000847624411 681407390 /nfs/dbraw/zinc/40/73/90/681407390.db2.gz PUODLWWTDUKCMI-SMDDNHRTSA-N 0 3 353.216 2.370 20 30 FEEDHN C#CCN1CCC(C(=O)NCCSCc2ccnc(Cl)c2)CC1 ZINC000777451083 681494916 /nfs/dbraw/zinc/49/49/16/681494916.db2.gz AMORNJKDCIZZMK-UHFFFAOYSA-N 0 3 351.903 2.430 20 30 FEEDHN C=CCN1CCC(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848581415 681582975 /nfs/dbraw/zinc/58/29/75/681582975.db2.gz MLFVPBUSQZONGM-UHFFFAOYSA-N 0 3 355.341 2.333 20 30 FEEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000778298636 681594107 /nfs/dbraw/zinc/59/41/07/681594107.db2.gz RCAKVWYJEIZYKB-QPUJVOFHSA-N 0 3 356.348 2.153 20 30 FEEDHN C=CCCCN(CC)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000934649397 681605901 /nfs/dbraw/zinc/60/59/01/681605901.db2.gz UPMZZVHUJQCNJC-UHFFFAOYSA-N 0 3 353.488 2.177 20 30 FEEDHN CN(C)[S@](C)(=O)=NCC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000934752838 681622080 /nfs/dbraw/zinc/62/20/80/681622080.db2.gz CCULDUQBUODXNT-RUZDIDTESA-N 0 3 364.515 2.375 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CN(CCC(C)C)CCO2 ZINC000949476755 681642575 /nfs/dbraw/zinc/64/25/75/681642575.db2.gz HBBTZNVSEAERID-MSOLQXFVSA-N 0 3 350.503 2.317 20 30 FEEDHN Cn1cc(CNCC[S@@](=O)CC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000850348719 681888683 /nfs/dbraw/zinc/88/86/83/681888683.db2.gz SFEJOTAJEYPPGK-RUZDIDTESA-N 0 3 370.400 2.359 20 30 FEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cncc(Br)c1 ZINC000850444843 681902772 /nfs/dbraw/zinc/90/27/72/681902772.db2.gz ZWHGNBRTQGWHAH-PQJBRBTKSA-N 0 3 365.231 2.021 20 30 FEEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H]4C[C@]4(CO)C3)sc2C1 ZINC000782602257 682063196 /nfs/dbraw/zinc/06/31/96/682063196.db2.gz AGNLFEARLVPGFD-QHRIQVFBSA-N 0 3 359.495 2.387 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1Cl ZINC000916917383 685528521 /nfs/dbraw/zinc/52/85/21/685528521.db2.gz JXFJBRZIQZHWEB-JTQLQIEISA-N 0 3 371.618 2.492 20 30 FEEDHN C#C[C@H](NC[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCO1 ZINC000784353174 682219311 /nfs/dbraw/zinc/21/93/11/682219311.db2.gz XZGDYBJXRUSMHF-BPUTZDHNSA-N 0 3 372.234 2.098 20 30 FEEDHN CN1C[C@@]2(C)CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C[C@]2(C)C1 ZINC000918350306 685538552 /nfs/dbraw/zinc/53/85/52/685538552.db2.gz APPVUYHVPSSSEK-HOTGVXAUSA-N 0 3 353.875 2.174 20 30 FEEDHN COC(=O)N(C)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786531899 682384148 /nfs/dbraw/zinc/38/41/48/682384148.db2.gz VVLSVKSZNNRXPY-CQSZACIVSA-N 0 3 365.817 2.143 20 30 FEEDHN COc1cnccc1N1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853564872 682434913 /nfs/dbraw/zinc/43/49/13/682434913.db2.gz VOSGTBUKFCWQCD-UHFFFAOYSA-N 0 3 374.242 2.446 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000858236535 682948000 /nfs/dbraw/zinc/94/80/00/682948000.db2.gz RFXDBUBBBDVGEJ-AWEZNQCLSA-N 0 3 354.495 2.191 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cc(F)c(Br)cc1F ZINC000858493057 682972872 /nfs/dbraw/zinc/97/28/72/682972872.db2.gz HRZTZZIEOOYIEZ-UHFFFAOYSA-N 0 3 374.229 2.482 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000926126063 683079656 /nfs/dbraw/zinc/07/96/56/683079656.db2.gz ORYQELMPJPPSMU-AWEZNQCLSA-N 0 3 358.504 2.109 20 30 FEEDHN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000860472945 683248846 /nfs/dbraw/zinc/24/88/46/683248846.db2.gz GOMMMEJRSNMSFZ-UONOGXRCSA-N 0 3 351.447 2.303 20 30 FEEDHN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000860478694 683249023 /nfs/dbraw/zinc/24/90/23/683249023.db2.gz ZNRZAXGNRWLGTG-TZMCWYRMSA-N 0 3 351.447 2.400 20 30 FEEDHN CS(=O)(=O)Nc1ccc(OCCNCc2csc(C#N)c2)cc1 ZINC000921962801 683626749 /nfs/dbraw/zinc/62/67/49/683626749.db2.gz CNJWQGTVSMRMKP-UHFFFAOYSA-N 0 3 351.453 2.160 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cnn(CC)n1 ZINC000863274700 683696541 /nfs/dbraw/zinc/69/65/41/683696541.db2.gz MCDHHZXQPVIGDS-UHFFFAOYSA-N 0 3 361.519 2.396 20 30 FEEDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC#N)CC(C)(C)C ZINC000865181983 683947008 /nfs/dbraw/zinc/94/70/08/683947008.db2.gz MYQNGXQEXBRMIF-AWEZNQCLSA-N 0 3 354.495 2.230 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000876546899 686217259 /nfs/dbraw/zinc/21/72/59/686217259.db2.gz ZQVOCCKJSNUOJK-OAHLLOKOSA-N 0 3 371.890 2.270 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000876611906 686228397 /nfs/dbraw/zinc/22/83/97/686228397.db2.gz VOOOPNPPZBBCFM-INIZCTEOSA-N 0 3 355.910 2.488 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000876657888 686238321 /nfs/dbraw/zinc/23/83/21/686238321.db2.gz VRQVUXAIGBOZKX-JSGCOSHPSA-N 0 3 356.253 2.374 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000876680666 686242572 /nfs/dbraw/zinc/24/25/72/686242572.db2.gz GVXWFSHIIVGSPN-QWHCGFSZSA-N 0 3 356.253 2.422 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000876732328 686255657 /nfs/dbraw/zinc/25/56/57/686255657.db2.gz ZIOVDCYUCWCZRU-ZDUSSCGKSA-N 0 3 371.268 2.382 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000876892248 686288166 /nfs/dbraw/zinc/28/81/66/686288166.db2.gz INKWFDZRBRGQII-NSHDSACASA-N 0 3 351.756 2.151 20 30 FEEDHN CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586512 686864452 /nfs/dbraw/zinc/86/44/52/686864452.db2.gz FNHAKYAECCMBDP-KRWDZBQOSA-N 0 3 367.386 2.265 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(Br)s1)C2 ZINC000884088379 687786025 /nfs/dbraw/zinc/78/60/25/687786025.db2.gz ICYKDACTRVPNCG-XIRUVYRFSA-N 0 3 354.273 2.266 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000884175953 687808378 /nfs/dbraw/zinc/80/83/78/687808378.db2.gz OQTJYFPVGONDGP-XAUUPUKJSA-N 0 3 358.873 2.128 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@H]1CCN(c3cccc(Cl)c3)C1)C2 ZINC000884232411 687825824 /nfs/dbraw/zinc/82/58/24/687825824.db2.gz QMNMOHARPWTPGG-IJSAUFJJSA-N 0 3 358.873 2.174 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N(Cc1cccs1)C[C@H]1CCCO1)C2 ZINC000884377632 687859427 /nfs/dbraw/zinc/85/94/27/687859427.db2.gz QEHISTAHHKZSCO-YJTLQXIOSA-N 0 3 359.495 2.395 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885478523 688081517 /nfs/dbraw/zinc/08/15/17/688081517.db2.gz QNZQNLWCFSLFOL-CABCVRRESA-N 0 3 352.475 2.380 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888412408 688607067 /nfs/dbraw/zinc/60/70/67/688607067.db2.gz JJYKOHCYONHZKR-NSHDSACASA-N 0 3 370.910 2.063 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)c1ccsc1 ZINC000891875940 689120925 /nfs/dbraw/zinc/12/09/25/689120925.db2.gz DDVLXCXPCCLOLI-WBVHZDCISA-N 0 3 350.488 2.455 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1 ZINC000892491865 689203099 /nfs/dbraw/zinc/20/30/99/689203099.db2.gz ORGBZTGTWUFAEG-UMVBOHGHSA-N 0 3 363.483 2.451 20 30 FEEDHN C#C[C@@H](NC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000894870936 689611726 /nfs/dbraw/zinc/61/17/26/689611726.db2.gz QEYVFTMMNZDSSG-OAHLLOKOSA-N 0 3 371.300 2.137 20 30 FEEDHN C#CCSCC(=O)N1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000899024603 690288884 /nfs/dbraw/zinc/28/88/84/690288884.db2.gz BLJQUSCJIHERKU-GOSISDBHSA-N 0 3 361.511 2.268 20 30 FEEDHN N#Cc1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867943 721039013 /nfs/dbraw/zinc/03/90/13/721039013.db2.gz LDJSIMYTKWMVNQ-IAGOWNOFSA-N 0 3 369.856 2.481 20 30 FEEDHN CC(C)N1CC[C@H](NCC(=O)NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549344662 674035352 /nfs/dbraw/zinc/03/53/52/674035352.db2.gz VADSHRILCDFUQZ-DOTOQJQBSA-N 0 3 352.841 2.232 20 30 FEEDHN CC(=O)Nc1ccc(OC[C@H](O)CN(C)Cc2cccc(C#N)c2)cc1 ZINC000029723882 539862403 /nfs/dbraw/zinc/86/24/03/539862403.db2.gz BLHRXEDMKTWNEU-LJQANCHMSA-N 0 3 353.422 2.388 20 30 FEEDHN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000046479061 540258981 /nfs/dbraw/zinc/25/89/81/540258981.db2.gz SBYBBRKFOUNSFR-GOSISDBHSA-N 0 3 352.394 2.298 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000047633209 540322104 /nfs/dbraw/zinc/32/21/04/540322104.db2.gz WOPMDBOFRPYLEJ-KRWDZBQOSA-N 0 3 357.454 2.446 20 30 FEEDHN CCC(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000055388329 540649812 /nfs/dbraw/zinc/64/98/12/540649812.db2.gz MJASZSWKEXOQFP-LJQANCHMSA-N 0 3 370.497 2.097 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000057610888 540803961 /nfs/dbraw/zinc/80/39/61/540803961.db2.gz KAALKYPXZITMGV-UHFFFAOYSA-N 0 3 356.470 2.343 20 30 FEEDHN C=CCc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc(OC)c1OC ZINC000061649948 541136367 /nfs/dbraw/zinc/13/63/67/541136367.db2.gz ZGSCCNSPZBEKGY-DLBZAZTESA-N 0 3 360.454 2.025 20 30 FEEDHN C[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)N(C)C1CC1 ZINC000066623541 541348895 /nfs/dbraw/zinc/34/88/95/541348895.db2.gz CUPXDJQRKMNHMI-INIZCTEOSA-N 0 3 356.470 2.312 20 30 FEEDHN N#CCCN(C(=O)CCC(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000066623689 541348912 /nfs/dbraw/zinc/34/89/12/541348912.db2.gz CFHQBIHBEURAOM-IBGZPJMESA-N 0 3 368.481 2.410 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000067033475 541409003 /nfs/dbraw/zinc/40/90/03/541409003.db2.gz ZINYTVQEJTVZPP-MRXNPFEDSA-N 0 3 370.501 2.096 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNC(=O)Nc2ccc(C#N)cc2)c1 ZINC000067015323 541406978 /nfs/dbraw/zinc/40/69/78/541406978.db2.gz PULUOQZOFKRUDL-UHFFFAOYSA-N 0 3 365.437 2.171 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN1CCCCCCC1=O ZINC000068310141 541575056 /nfs/dbraw/zinc/57/50/56/541575056.db2.gz FGPGWTGTNUEFEV-UHFFFAOYSA-N 0 3 370.497 2.241 20 30 FEEDHN C#CCN1CCC(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000068312845 541575212 /nfs/dbraw/zinc/57/52/12/541575212.db2.gz OCVYNIDRXZJJCA-UHFFFAOYSA-N 0 3 363.452 2.200 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069111938 541658525 /nfs/dbraw/zinc/65/85/25/541658525.db2.gz RPTZNZKRSQTDII-UHFFFAOYSA-N 0 3 362.430 2.313 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](CN2CCOCC2)C1 ZINC000070011405 541729927 /nfs/dbraw/zinc/72/99/27/541729927.db2.gz NPPCDYAULFLIFR-CTNGQTDRSA-N 0 3 374.525 2.199 20 30 FEEDHN CN(Cc1ccc2c(c1)OCCO2)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000072702314 541854420 /nfs/dbraw/zinc/85/44/20/541854420.db2.gz CIAOTAWNOMDHLA-SFHVURJKSA-N 0 3 368.433 2.396 20 30 FEEDHN COc1ccc(N2CCC(N(C)CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000072801315 541868623 /nfs/dbraw/zinc/86/86/23/541868623.db2.gz BVAHLTIPVPITOX-OAQYLSRUSA-N 0 3 370.497 2.404 20 30 FEEDHN CCCCCNC(=O)C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000051800263 205183739 /nfs/dbraw/zinc/18/37/39/205183739.db2.gz WBEFMOSQBKBSQV-IBGZPJMESA-N 0 3 373.497 2.316 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(C)C ZINC000073707072 541989003 /nfs/dbraw/zinc/98/90/03/541989003.db2.gz SCPPUQGGQAZAKE-HNNXBMFYSA-N 0 3 372.469 2.263 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000073707208 541989087 /nfs/dbraw/zinc/98/90/87/541989087.db2.gz DJZUWRRORMRDAH-GOSISDBHSA-N 0 3 369.465 2.097 20 30 FEEDHN Cc1csc(CON=C(N)c2ccccc2CN2CCC(O)CC2)n1 ZINC000088520259 542752311 /nfs/dbraw/zinc/75/23/11/542752311.db2.gz KDZPWRJZJWURFO-UHFFFAOYSA-N 0 3 360.483 2.245 20 30 FEEDHN C[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CN(C)CCO1 ZINC000091063559 542792478 /nfs/dbraw/zinc/79/24/78/542792478.db2.gz LNGFIWIXQAQRCE-LPHOPBHVSA-N 0 3 353.470 2.272 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000094033642 542948488 /nfs/dbraw/zinc/94/84/88/542948488.db2.gz CATFDFQQRBXUNZ-QGZVFWFLSA-N 0 3 372.517 2.033 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000103466782 543108635 /nfs/dbraw/zinc/10/86/35/543108635.db2.gz WOXGPSSQHKZQNK-INIZCTEOSA-N 0 3 364.453 2.304 20 30 FEEDHN CCN1CCCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000104138186 543124146 /nfs/dbraw/zinc/12/41/46/543124146.db2.gz IWGHOVHDDFROSS-FQEVSTJZSA-N 0 3 354.498 2.467 20 30 FEEDHN CN(C(=O)CN1CCC(Cc2nccn2C)CC1)C1(C#N)CCCCC1 ZINC000106166390 543211216 /nfs/dbraw/zinc/21/12/16/543211216.db2.gz CRUOGCKQTXNAOZ-UHFFFAOYSA-N 0 3 357.502 2.359 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(C(=O)CC(C)C)CC2)CC1 ZINC000106268673 543221619 /nfs/dbraw/zinc/22/16/19/543221619.db2.gz DNSHSMUURFASRQ-UHFFFAOYSA-N 0 3 364.534 2.363 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(OCc3nccn3C)cc2)CC1 ZINC000108710307 543300028 /nfs/dbraw/zinc/30/00/28/543300028.db2.gz BXHKXTJJBKRTPL-UHFFFAOYSA-N 0 3 352.438 2.283 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000112256110 543436012 /nfs/dbraw/zinc/43/60/12/543436012.db2.gz JYELHBQEGMAHET-INIZCTEOSA-N 0 3 359.470 2.432 20 30 FEEDHN CC(C)C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)N(C)C ZINC000114377812 543511806 /nfs/dbraw/zinc/51/18/06/543511806.db2.gz LEJWZTIAGINQRF-QGZVFWFLSA-N 0 3 354.458 2.032 20 30 FEEDHN CN1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000118898539 543661628 /nfs/dbraw/zinc/66/16/28/543661628.db2.gz AJFKAPSHIFSTPY-CQSZACIVSA-N 0 3 360.483 2.089 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000120223712 543677005 /nfs/dbraw/zinc/67/70/05/543677005.db2.gz SLFZNALCRSNXSL-UHFFFAOYSA-N 0 3 369.513 2.282 20 30 FEEDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000122986620 543735579 /nfs/dbraw/zinc/73/55/79/543735579.db2.gz LLGSXRYSKJGCON-QWHCGFSZSA-N 0 3 353.875 2.459 20 30 FEEDHN N#Cc1ccc2ncc(CNC[C@H]3CN(Cc4ccccc4)CCO3)n2c1 ZINC000123176137 543746618 /nfs/dbraw/zinc/74/66/18/543746618.db2.gz SDMAIUCPMSAIOG-FQEVSTJZSA-N 0 3 361.449 2.197 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CCN(C)[C@H](C)C3)cc2C1=O ZINC000123385779 543759129 /nfs/dbraw/zinc/75/91/29/543759129.db2.gz FNTHRCQUAPTXAL-HIFRSBDPSA-N 0 3 355.438 2.023 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NCCCCN1CCN(C)CC1 ZINC000125034207 543857372 /nfs/dbraw/zinc/85/73/72/543857372.db2.gz RRLINUSCANODAI-UHFFFAOYSA-N 0 3 361.486 2.017 20 30 FEEDHN CC(C)N1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1c(F)cc(C#N)cc1F)C2 ZINC000125818808 543903190 /nfs/dbraw/zinc/90/31/90/543903190.db2.gz KMOFJQVOLNLOAN-UONOGXRCSA-N 0 3 369.437 2.472 20 30 FEEDHN CN1CCN([C@@H]2CCCCN(C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000126622671 543947680 /nfs/dbraw/zinc/94/76/80/543947680.db2.gz QPNJRVURBXFZON-QGZVFWFLSA-N 0 3 359.449 2.331 20 30 FEEDHN CCCCCCCN1CCc2nn(CC(=O)N3CCCC3)c(=O)cc2C1 ZINC000128644938 544064335 /nfs/dbraw/zinc/06/43/35/544064335.db2.gz YVBKBFYAEOVSHH-UHFFFAOYSA-N 0 3 360.502 2.194 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CN1C1CC1 ZINC000130509275 544154005 /nfs/dbraw/zinc/15/40/05/544154005.db2.gz DFBIPXYTBVWTFG-YVWKXTFCSA-N 0 3 367.497 2.031 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CCC(=O)OC)Cc2ccccc2)CC1 ZINC000130587214 544157071 /nfs/dbraw/zinc/15/70/71/544157071.db2.gz IEIIFYIAZKXLSC-IBGZPJMESA-N 0 3 356.466 2.012 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(N3CCCCC3=O)CC2)CC1 ZINC000132527215 544234174 /nfs/dbraw/zinc/23/41/74/544234174.db2.gz OMFVHHGJYLKXJO-UHFFFAOYSA-N 0 3 362.518 2.213 20 30 FEEDHN CN(C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCCc2c1cnn2C ZINC000135611890 544355879 /nfs/dbraw/zinc/35/58/79/544355879.db2.gz JZOISMITCISKMQ-QFBILLFUSA-N 0 3 354.454 2.235 20 30 FEEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000151238937 544520237 /nfs/dbraw/zinc/52/02/37/544520237.db2.gz CAYHOMSKKVBHOO-INIZCTEOSA-N 0 3 358.486 2.447 20 30 FEEDHN COCc1nc2n(n1)C[C@@H](NCc1cccc(OCCCC#N)c1)CC2 ZINC000151533398 544553766 /nfs/dbraw/zinc/55/37/66/544553766.db2.gz BZRAJKDOFILWEP-INIZCTEOSA-N 0 3 355.442 2.212 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1Cl ZINC000151644605 544565367 /nfs/dbraw/zinc/56/53/67/544565367.db2.gz DPCOEARFSBVLMB-CYBMUJFWSA-N 0 3 353.875 2.318 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(CCN(C)C)C(C)C)C2)n1 ZINC000151948859 544599446 /nfs/dbraw/zinc/59/94/46/544599446.db2.gz VRNLBNXKDATHPC-GOSISDBHSA-N 0 3 357.502 2.277 20 30 FEEDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000153081475 544731126 /nfs/dbraw/zinc/73/11/26/544731126.db2.gz OXDQFJXMCWLIED-OAQYLSRUSA-N 0 3 367.449 2.180 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000152901552 544709795 /nfs/dbraw/zinc/70/97/95/544709795.db2.gz RKHUDGYGFWDYMO-CQSZACIVSA-N 0 3 370.497 2.271 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000152901552 544709799 /nfs/dbraw/zinc/70/97/99/544709799.db2.gz RKHUDGYGFWDYMO-CQSZACIVSA-N 0 3 370.497 2.271 20 30 FEEDHN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153283776 544756435 /nfs/dbraw/zinc/75/64/35/544756435.db2.gz CAASBYZJQGKMRY-KQTLUZQSSA-N 0 3 360.506 2.057 20 30 FEEDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000153365910 544766784 /nfs/dbraw/zinc/76/67/84/544766784.db2.gz PDAHKDLPOZLWHN-NRFANRHFSA-N 0 3 367.449 2.180 20 30 FEEDHN COc1ccc(O)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000188403588 328084809 /nfs/dbraw/zinc/08/48/09/328084809.db2.gz NOOANLGOWBFMRW-UHFFFAOYSA-N 0 3 353.422 2.476 20 30 FEEDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2cc(C#N)ccc2C)o1 ZINC000189369440 328143602 /nfs/dbraw/zinc/14/36/02/328143602.db2.gz WHKVMSFXALYTKL-UHFFFAOYSA-N 0 3 368.437 2.297 20 30 FEEDHN CCOC(=O)c1csc(CCNCc2cnc3ccc(C#N)cn23)n1 ZINC000190347738 328201688 /nfs/dbraw/zinc/20/16/88/328201688.db2.gz YZEUIEPPSOSMFH-UHFFFAOYSA-N 0 3 355.423 2.171 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCC(C)CC1 ZINC000192791511 328339852 /nfs/dbraw/zinc/33/98/52/328339852.db2.gz QRGVVXUAMCVOKB-HNNXBMFYSA-N 0 3 373.501 2.290 20 30 FEEDHN CC(C)N(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O ZINC000016419673 324386232 /nfs/dbraw/zinc/38/62/32/324386232.db2.gz HBQUOIGJWRHSON-UHFFFAOYSA-N 0 3 362.499 2.413 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)c3cc(C#N)cs3)cc2)CC1 ZINC000084181746 325228511 /nfs/dbraw/zinc/22/85/11/325228511.db2.gz YJWVMQJQVNEASR-UHFFFAOYSA-N 0 3 354.479 2.297 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)N1CCC(C)CC1 ZINC000088771638 325300709 /nfs/dbraw/zinc/30/07/09/325300709.db2.gz PSMMDYGFHDZNAU-CYBMUJFWSA-N 0 3 362.861 2.387 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1C#N ZINC000120713328 326281219 /nfs/dbraw/zinc/28/12/19/326281219.db2.gz PCPNCMPOSHLQDH-YOEHRIQHSA-N 0 3 372.469 2.225 20 30 FEEDHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000121272185 326326292 /nfs/dbraw/zinc/32/62/92/326326292.db2.gz RDQMJDMHRCXWOD-UHFFFAOYSA-N 0 3 356.470 2.467 20 30 FEEDHN CN(C)Cc1cccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)c1 ZINC000155930438 326811128 /nfs/dbraw/zinc/81/11/28/326811128.db2.gz DHEBWOFIDOGGML-UHFFFAOYSA-N 0 3 363.465 2.367 20 30 FEEDHN N#Cc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1C(F)(F)F ZINC000167256419 327084479 /nfs/dbraw/zinc/08/44/79/327084479.db2.gz KHOSRZQAHRRFKH-MRXNPFEDSA-N 0 3 366.387 2.496 20 30 FEEDHN CC(C)N1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)C2 ZINC000173280022 327246467 /nfs/dbraw/zinc/24/64/67/327246467.db2.gz ZLJLAOSDRWGCNO-JKSUJKDBSA-N 0 3 358.417 2.110 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000178450465 327585634 /nfs/dbraw/zinc/58/56/34/327585634.db2.gz NOBDQAGVHCZVDC-SOUVJXGZSA-N 0 3 356.470 2.288 20 30 FEEDHN CC(C)CCC(=O)NCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000264100640 328991726 /nfs/dbraw/zinc/99/17/26/328991726.db2.gz BTDPHAKCQBPITP-UHFFFAOYSA-N 0 3 358.486 2.001 20 30 FEEDHN COc1ccc(CN[C@@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N ZINC000266169334 329196807 /nfs/dbraw/zinc/19/68/07/329196807.db2.gz QNDIYMQUCHXCTL-KRWDZBQOSA-N 0 3 365.481 2.262 20 30 FEEDHN C[C@@H](CN1CCN(c2ccccn2)CC1)NCc1ccc(C#N)cc1F ZINC000269439180 329520281 /nfs/dbraw/zinc/52/02/81/329520281.db2.gz SDLQTAUMMHOEDK-INIZCTEOSA-N 0 3 353.445 2.393 20 30 FEEDHN C[C@@]1(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCO[C@@H]1C1CC1 ZINC000273007846 329829652 /nfs/dbraw/zinc/82/96/52/329829652.db2.gz BKWVOFHEESNCLC-UYAOXDASSA-N 0 3 365.437 2.230 20 30 FEEDHN CN(C)C(=O)[C@H]1CC[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000554972488 674344044 /nfs/dbraw/zinc/34/40/44/674344044.db2.gz MWGFRGMBHSIWGM-UKRRQHHQSA-N 0 3 355.360 2.302 20 30 FEEDHN C[C@H](C(=O)Nc1ncccn1)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328636924 526196425 /nfs/dbraw/zinc/19/64/25/526196425.db2.gz OIWDXMRXCASHBO-HLLBOEOZSA-N 0 3 371.489 2.202 20 30 FEEDHN CC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000156708895 545650617 /nfs/dbraw/zinc/65/06/17/545650617.db2.gz BFGJKFOJBHHBGL-OUBFZGACSA-N 0 3 362.518 2.106 20 30 FEEDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000161259238 546113573 /nfs/dbraw/zinc/11/35/73/546113573.db2.gz SUAUPGXVLBHYNG-CQSZACIVSA-N 0 3 360.458 2.130 20 30 FEEDHN N#CCc1ccc(OC[C@H](O)CN2CCN(C3CCCCC3)CC2)cc1 ZINC000163914506 546147473 /nfs/dbraw/zinc/14/74/73/546147473.db2.gz CJXYUTYGABSNCM-HXUWFJFHSA-N 0 3 357.498 2.443 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1cc2ccccc2n1 ZINC000479239589 561185740 /nfs/dbraw/zinc/18/57/40/561185740.db2.gz GFUMZOHTHITBRW-UHFFFAOYSA-N 0 3 361.449 2.498 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(C(=O)OC)cc2)CC1 ZINC000171552763 546213576 /nfs/dbraw/zinc/21/35/76/546213576.db2.gz RYNBIMVQIMVNDO-UHFFFAOYSA-N 0 3 359.470 2.355 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000171640559 546217836 /nfs/dbraw/zinc/21/78/36/546217836.db2.gz OEXSBXVYZUVZIE-UHFFFAOYSA-N 0 3 362.449 2.434 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC000171719888 546220980 /nfs/dbraw/zinc/22/09/80/546220980.db2.gz NSVYUXKPTGOGKF-GOSISDBHSA-N 0 3 357.454 2.184 20 30 FEEDHN C=CCN1CCC(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)CC1 ZINC000171722647 546221874 /nfs/dbraw/zinc/22/18/74/546221874.db2.gz UQNHPLJRCWNDNN-UHFFFAOYSA-N 0 3 355.486 2.354 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC000171741104 546222877 /nfs/dbraw/zinc/22/28/77/546222877.db2.gz BPFYEDVWGIZMNQ-UHFFFAOYSA-N 0 3 363.893 2.217 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)C(C)C ZINC000171980517 546232335 /nfs/dbraw/zinc/23/23/35/546232335.db2.gz IGVRUQSEASWCFO-GOSISDBHSA-N 0 3 354.458 2.091 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000173271236 546277192 /nfs/dbraw/zinc/27/71/92/546277192.db2.gz VVSSAADWCAZELM-UHFFFAOYSA-N 0 3 371.359 2.290 20 30 FEEDHN C=CCc1cc(CNCCN2C(=O)NC3(CCCC3)C2=O)cc(OC)c1O ZINC000479606983 561193204 /nfs/dbraw/zinc/19/32/04/561193204.db2.gz BCQHFSZDMOCWAE-UHFFFAOYSA-N 0 3 373.453 2.084 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000173579950 546283583 /nfs/dbraw/zinc/28/35/83/546283583.db2.gz OWQDYHJRNJBUKT-UHFFFAOYSA-N 0 3 370.497 2.091 20 30 FEEDHN CN(CCC#N)c1ccc(CN[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000174588001 546299870 /nfs/dbraw/zinc/29/98/70/546299870.db2.gz MGNPFWHQCPTKTN-SFHVURJKSA-N 0 3 366.469 2.055 20 30 FEEDHN N#CC(C(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21)C(=O)N1CCCC1 ZINC000528915720 562352687 /nfs/dbraw/zinc/35/26/87/562352687.db2.gz OZMRGBLAJKKMIC-GHMZBOCLSA-N 0 3 354.332 2.111 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000176598861 546466228 /nfs/dbraw/zinc/46/62/28/546466228.db2.gz MKAIWNYZKGHIEA-HNNXBMFYSA-N 0 3 363.893 2.263 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCNc2ccccn2)cc1 ZINC000481010924 561222922 /nfs/dbraw/zinc/22/29/22/561222922.db2.gz JYCZUAXMCKWKAA-CYBMUJFWSA-N 0 3 373.438 2.001 20 30 FEEDHN CN(CCNS(=O)(=O)Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000481015951 561223002 /nfs/dbraw/zinc/22/30/02/561223002.db2.gz AWFYNXKTYXECHT-UHFFFAOYSA-N 0 3 353.463 2.381 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@@H]21 ZINC000178002986 546721378 /nfs/dbraw/zinc/72/13/78/546721378.db2.gz WLEMFKHXKURYDG-HIFRSBDPSA-N 0 3 353.875 2.316 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cn(-c3ccc(F)cc3C)nn2)CC1 ZINC000179481437 546963669 /nfs/dbraw/zinc/96/36/69/546963669.db2.gz OPOAWPJMKYTGPI-UHFFFAOYSA-N 0 3 357.433 2.485 20 30 FEEDHN CC[C@H]1Oc2cc([C@H](C)NCCC(=O)N(C)CCC#N)ccc2NC1=O ZINC000180029328 547040331 /nfs/dbraw/zinc/04/03/31/547040331.db2.gz DHHXINYMWPZXDY-XJKSGUPXSA-N 0 3 358.442 2.209 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000180161118 547060735 /nfs/dbraw/zinc/06/07/35/547060735.db2.gz XVVRFHSNCOLVCE-HIFRSBDPSA-N 0 3 353.875 2.316 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000180199453 547067147 /nfs/dbraw/zinc/06/71/47/547067147.db2.gz URVIPRNIVBGZME-UHFFFAOYSA-N 0 3 356.451 2.148 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)CC1 ZINC000180690243 547159220 /nfs/dbraw/zinc/15/92/20/547159220.db2.gz YROZLDRUDVNAIC-URSIVYNOSA-N 0 3 351.491 2.258 20 30 FEEDHN C[C@H](NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000482842244 561261102 /nfs/dbraw/zinc/26/11/02/561261102.db2.gz PQVXHPNNLMGEJA-FUHIMQAGSA-N 0 3 369.513 2.287 20 30 FEEDHN C=CCn1c(SCCCN2CCN(C)CC2)nc2sccc2c1=O ZINC000181306373 547290570 /nfs/dbraw/zinc/29/05/70/547290570.db2.gz AXLBQHLXSDMXQP-UHFFFAOYSA-N 0 3 364.540 2.374 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181640580 547351270 /nfs/dbraw/zinc/35/12/70/547351270.db2.gz BFQRYOQSJYGFEY-JKSUJKDBSA-N 0 3 362.493 2.309 20 30 FEEDHN N#CCCN(C(=O)CN[C@@H](CC(N)=O)C1CCCCC1)c1ccccc1 ZINC000182044104 547428114 /nfs/dbraw/zinc/42/81/14/547428114.db2.gz GIACLFKBZXWSAM-SFHVURJKSA-N 0 3 356.470 2.347 20 30 FEEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000183186096 547618042 /nfs/dbraw/zinc/61/80/42/547618042.db2.gz UHVUIRRNVBRNGH-BBWFWOEESA-N 0 3 358.511 2.189 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000184220355 547790444 /nfs/dbraw/zinc/79/04/44/547790444.db2.gz MRKJQDHCXWUITM-UHFFFAOYSA-N 0 3 373.501 2.495 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184414250 547822923 /nfs/dbraw/zinc/82/29/23/547822923.db2.gz LMFCPMWIMOEKOE-MRXNPFEDSA-N 0 3 361.486 2.016 20 30 FEEDHN N#Cc1c(NC(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)sc2c1CCCCC2 ZINC000184817313 547882479 /nfs/dbraw/zinc/88/24/79/547882479.db2.gz VNSIWKDJKXMTLU-UKRRQHHQSA-N 0 3 374.510 2.461 20 30 FEEDHN N#Cc1c(NC(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)sc2c1CCCCC2 ZINC000184817293 547882509 /nfs/dbraw/zinc/88/25/09/547882509.db2.gz VNSIWKDJKXMTLU-ZFWWWQNUSA-N 0 3 374.510 2.461 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(F)c(SC)c(F)c2)CC1 ZINC000184891358 547894646 /nfs/dbraw/zinc/89/46/46/547894646.db2.gz MSRYIVDXVAZYBB-UHFFFAOYSA-N 0 3 369.437 2.392 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)CC1 ZINC000186369634 548125935 /nfs/dbraw/zinc/12/59/35/548125935.db2.gz BOQAZFAQSKFDCC-AABGKKOBSA-N 0 3 356.466 2.073 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000186801018 548196815 /nfs/dbraw/zinc/19/68/15/548196815.db2.gz CTLMECDGGAMNKY-UHFFFAOYSA-N 0 3 366.509 2.076 20 30 FEEDHN C=CC[C@H](C(=O)N1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000189499890 548303001 /nfs/dbraw/zinc/30/30/01/548303001.db2.gz LLXLEWUCQKZLAG-IBGZPJMESA-N 0 3 357.498 2.263 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000189687474 548308287 /nfs/dbraw/zinc/30/82/87/548308287.db2.gz SAFKJUNUAIYADC-FQEVSTJZSA-N 0 3 359.470 2.067 20 30 FEEDHN Cc1cccn2c1ncc(C(=O)C(C#N)c1cnc3ccccc3n1)c2=O ZINC000190884009 548336040 /nfs/dbraw/zinc/33/60/40/548336040.db2.gz XWHJXNKGXNVCBE-ZDUSSCGKSA-N 0 3 355.357 2.436 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)CC1 ZINC000194608654 548505169 /nfs/dbraw/zinc/50/51/69/548505169.db2.gz PVGOFUYTRUIBCZ-IRXDYDNUSA-N 0 3 372.513 2.466 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000246172961 549069034 /nfs/dbraw/zinc/06/90/34/549069034.db2.gz FUGRKASNJJSLIM-OLZOCXBDSA-N 0 3 362.861 2.387 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1C#N ZINC000249170674 549564684 /nfs/dbraw/zinc/56/46/84/549564684.db2.gz LFGVRBJVFQDEAE-RHSMWYFYSA-N 0 3 372.469 2.083 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000249982120 549635650 /nfs/dbraw/zinc/63/56/50/549635650.db2.gz AXSNUUOWUWEMIM-OLZOCXBDSA-N 0 3 362.861 2.387 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCNC(=O)c2ccccc2Cl)CC1 ZINC000264452341 549995722 /nfs/dbraw/zinc/99/57/22/549995722.db2.gz ZALJTNYGSGGCJN-UHFFFAOYSA-N 0 3 364.877 2.019 20 30 FEEDHN CCN1CCN(c2ccc(NC(=O)C3(C#N)CCOCC3)c(C)c2)CC1 ZINC000264536225 549998077 /nfs/dbraw/zinc/99/80/77/549998077.db2.gz OICSMFXMCIPMIP-UHFFFAOYSA-N 0 3 356.470 2.396 20 30 FEEDHN CCCCN(C)CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000491028756 561442082 /nfs/dbraw/zinc/44/20/82/561442082.db2.gz GCAUWBPDNRYMPZ-UHFFFAOYSA-N 0 3 357.502 2.117 20 30 FEEDHN N#CCN1CCC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000266064435 550016622 /nfs/dbraw/zinc/01/66/22/550016622.db2.gz HAWCBBNNKPEBAL-LJQANCHMSA-N 0 3 354.498 2.250 20 30 FEEDHN C=CCC[C@@H](NCc1ccccc1S(=O)(=O)N(C)CCO)C1CC1 ZINC000271464757 550377396 /nfs/dbraw/zinc/37/73/96/550377396.db2.gz KUUWLQNGCYCXNJ-QGZVFWFLSA-N 0 3 352.500 2.134 20 30 FEEDHN CCN(CC)C(=O)C[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272480302 550452066 /nfs/dbraw/zinc/45/20/66/550452066.db2.gz AWNMCUZAJGUUDL-MAUKXSAKSA-N 0 3 356.470 2.290 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000272867312 550474131 /nfs/dbraw/zinc/47/41/31/550474131.db2.gz NZFCODCHEFDCMA-CQSZACIVSA-N 0 3 372.918 2.267 20 30 FEEDHN C[C@]1(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCO[C@@H]1C1CC1 ZINC000273007843 550480590 /nfs/dbraw/zinc/48/05/90/550480590.db2.gz BKWVOFHEESNCLC-QUCCMNQESA-N 0 3 365.437 2.230 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000274439211 550537714 /nfs/dbraw/zinc/53/77/14/550537714.db2.gz IKWPDJDMBVSAIR-HOTGVXAUSA-N 0 3 360.454 2.478 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000274439213 550537798 /nfs/dbraw/zinc/53/77/98/550537798.db2.gz IKWPDJDMBVSAIR-HZPDHXFCSA-N 0 3 360.454 2.478 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccnc2SCCC(=O)OC)CC1 ZINC000275028735 550570261 /nfs/dbraw/zinc/57/02/61/550570261.db2.gz JYWJUUZZMQGXMR-UHFFFAOYSA-N 0 3 361.467 2.021 20 30 FEEDHN C=CC[C@@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000275351362 550571858 /nfs/dbraw/zinc/57/18/58/550571858.db2.gz SEIAKFQZIYYSOF-MOPGFXCFSA-N 0 3 357.498 2.405 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](OCCOC)C1)C(C)C ZINC000275526297 550572643 /nfs/dbraw/zinc/57/26/43/550572643.db2.gz BEIGCDLPNBXAKL-QZTJIDSGSA-N 0 3 353.507 2.132 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1=CCN(C)CC1 ZINC000275938344 550575384 /nfs/dbraw/zinc/57/53/84/550575384.db2.gz APGHRECMHBRATC-AWEZNQCLSA-N 0 3 354.454 2.193 20 30 FEEDHN CC[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000278367420 550777866 /nfs/dbraw/zinc/77/78/66/550777866.db2.gz BWVHSCWTJHQWGQ-CVEARBPZSA-N 0 3 364.492 2.495 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2nc(-c3cccc(F)c3)no2)CC1 ZINC000278465953 550789371 /nfs/dbraw/zinc/78/93/71/550789371.db2.gz PTFDNEPEDUWJIW-UHFFFAOYSA-N 0 3 359.405 2.325 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCOCC2CC2)cc1 ZINC000278656458 550808499 /nfs/dbraw/zinc/80/84/99/550808499.db2.gz QCTZDAJPAFPLQX-CYBMUJFWSA-N 0 3 365.455 2.311 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC2(O)CCCC2)cc1 ZINC000278693158 550811838 /nfs/dbraw/zinc/81/18/38/550811838.db2.gz SIZZAHFCYVWDGV-CYBMUJFWSA-N 0 3 365.455 2.141 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCN(C2CCOCC2)C[C@@H]1C ZINC000278837873 550827402 /nfs/dbraw/zinc/82/74/02/550827402.db2.gz KNBXTUKCZDNPOG-INIZCTEOSA-N 0 3 359.470 2.131 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000279208424 550865153 /nfs/dbraw/zinc/86/51/53/550865153.db2.gz LXGSUEJQCGSCHB-MRXNPFEDSA-N 0 3 371.485 2.140 20 30 FEEDHN C[C@@H]1CN(CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCCO1 ZINC000280006699 550951946 /nfs/dbraw/zinc/95/19/46/550951946.db2.gz CCZGINBMOIKFBI-OAHLLOKOSA-N 0 3 368.437 2.444 20 30 FEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000280667772 551019391 /nfs/dbraw/zinc/01/93/91/551019391.db2.gz VNOXHFNKVVCVLG-XLIONFOSSA-N 0 3 353.422 2.037 20 30 FEEDHN COc1cc(CNCc2ccc(C(=O)NCCN(C)C)cc2)ccc1C#N ZINC000281617222 551120867 /nfs/dbraw/zinc/12/08/67/551120867.db2.gz HCQSNPIWCPNYRF-UHFFFAOYSA-N 0 3 366.465 2.148 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000282985300 551293640 /nfs/dbraw/zinc/29/36/40/551293640.db2.gz MJQWZJUPWZSBSP-DLBZAZTESA-N 0 3 364.515 2.062 20 30 FEEDHN C[C@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(C#N)c(F)c1 ZINC000497720751 561507058 /nfs/dbraw/zinc/50/70/58/561507058.db2.gz WVXDHWNOPBAYRU-JOKNJTHLSA-N 0 3 355.417 2.444 20 30 FEEDHN COCc1ncsc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000283322792 551347678 /nfs/dbraw/zinc/34/76/78/551347678.db2.gz FDTRYQKBOBFMPA-UHFFFAOYSA-N 0 3 358.467 2.365 20 30 FEEDHN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)CC1 ZINC000283415010 551362380 /nfs/dbraw/zinc/36/23/80/551362380.db2.gz XGYAJUOZTNJZMV-UHFFFAOYSA-N 0 3 371.533 2.494 20 30 FEEDHN C=CCn1c(N)nnc1SC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000283534512 551383118 /nfs/dbraw/zinc/38/31/18/551383118.db2.gz MPVHZFFBGFSNGB-MRXNPFEDSA-N 0 3 359.499 2.430 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000284037234 551472507 /nfs/dbraw/zinc/47/25/07/551472507.db2.gz JMBCHZVRGQRKRC-INIZCTEOSA-N 0 3 373.497 2.418 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000498190971 561517935 /nfs/dbraw/zinc/51/79/35/561517935.db2.gz SCLRHQJEZWKFKR-KFKAGJAMSA-N 0 3 368.481 2.068 20 30 FEEDHN CN(C)C(=O)OC[C@H]1CCCCN1CCC(=O)Nc1ccccc1C#N ZINC000285512382 551767826 /nfs/dbraw/zinc/76/78/26/551767826.db2.gz ODSMSHLDGADZHP-MRXNPFEDSA-N 0 3 358.442 2.440 20 30 FEEDHN CC[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(OC)c(OC)c1 ZINC000285602324 551781483 /nfs/dbraw/zinc/78/14/83/551781483.db2.gz YGTWSBIHJPVDPL-MRXNPFEDSA-N 0 3 358.442 2.400 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)CC1 ZINC000286412478 551884500 /nfs/dbraw/zinc/88/45/00/551884500.db2.gz FJJZWLITCNXEPS-FQEVSTJZSA-N 0 3 369.509 2.295 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 ZINC000286468521 551889161 /nfs/dbraw/zinc/88/91/61/551889161.db2.gz IKYLRRPKVCJMAN-UHFFFAOYSA-N 0 3 359.445 2.083 20 30 FEEDHN CNC(=O)CC[C@H]1CCCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000286471920 551889826 /nfs/dbraw/zinc/88/98/26/551889826.db2.gz NTBXMSMHOUAZQA-IEBWSBKVSA-N 0 3 368.481 2.434 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000286508143 551894172 /nfs/dbraw/zinc/89/41/72/551894172.db2.gz KTJZQFVEIDIBHX-LPHOPBHVSA-N 0 3 373.472 2.345 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCc3sccc3[C@@H]2C)CC1 ZINC000286611420 551905861 /nfs/dbraw/zinc/90/58/61/551905861.db2.gz LIZRWJLLCKVETI-AWEZNQCLSA-N 0 3 361.511 2.351 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCc3sccc3[C@H]2CC)CC1 ZINC000286648964 551910449 /nfs/dbraw/zinc/91/04/49/551910449.db2.gz NGHCVPZCJYASIB-MRXNPFEDSA-N 0 3 361.511 2.351 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCc3sccc3[C@@H]2CC)CC1 ZINC000286648957 551910496 /nfs/dbraw/zinc/91/04/96/551910496.db2.gz NGHCVPZCJYASIB-INIZCTEOSA-N 0 3 361.511 2.351 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCC2(Cc3ccccc3)CC2)CC1 ZINC000286722464 551918873 /nfs/dbraw/zinc/91/88/73/551918873.db2.gz QZCMEGVZIWKZPT-UHFFFAOYSA-N 0 3 369.509 2.282 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2cc3ccccc3o2)CC1 ZINC000286730064 551919670 /nfs/dbraw/zinc/91/96/70/551919670.db2.gz RNVHRFWOMUWDKW-UHFFFAOYSA-N 0 3 355.438 2.158 20 30 FEEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCCCC#N ZINC000286774271 551924651 /nfs/dbraw/zinc/92/46/51/551924651.db2.gz RDNNNRRPMVAHQA-SFHVURJKSA-N 0 3 370.497 2.213 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000286795334 551926682 /nfs/dbraw/zinc/92/66/82/551926682.db2.gz UOFMZIASYMWQRF-ZDUSSCGKSA-N 0 3 365.424 2.251 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(C3CCC3)cc2)CC1 ZINC000286837741 551932079 /nfs/dbraw/zinc/93/20/79/551932079.db2.gz XWZKXMUMFLPLAG-UHFFFAOYSA-N 0 3 355.482 2.337 20 30 FEEDHN C[C@@H]1CCCCN1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286844521 551932661 /nfs/dbraw/zinc/93/26/61/551932661.db2.gz KPAJVGKCZPTHOM-HUUCEWRRSA-N 0 3 351.472 2.426 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](CO)CC2)cc1 ZINC000287066468 551959230 /nfs/dbraw/zinc/95/92/30/551959230.db2.gz HRSYBOZQNQRESO-MGPQQGTHSA-N 0 3 365.455 2.045 20 30 FEEDHN N#CC1(C(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CCCC1 ZINC000287198108 551975416 /nfs/dbraw/zinc/97/54/16/551975416.db2.gz HZNCBHDTBFIDMG-HXUWFJFHSA-N 0 3 366.509 2.489 20 30 FEEDHN Cc1onc(CC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1C#N ZINC000499686603 561556048 /nfs/dbraw/zinc/55/60/48/561556048.db2.gz UYNKUMBZOCDCNG-UHFFFAOYSA-N 0 3 362.380 2.266 20 30 FEEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000500408303 561571673 /nfs/dbraw/zinc/57/16/73/561571673.db2.gz JMSIGASTPLIFES-SFHVURJKSA-N 0 3 352.438 2.472 20 30 FEEDHN Cc1onc(CC(=O)N(C)CC2CCN(c3ccncc3)CC2)c1C#N ZINC000500412820 561572180 /nfs/dbraw/zinc/57/21/80/561572180.db2.gz ZPYFBXNDAYXGNN-UHFFFAOYSA-N 0 3 353.426 2.167 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)C2CCCC2)cc1 ZINC000289978643 552408959 /nfs/dbraw/zinc/40/89/59/552408959.db2.gz XTHTUISJRRJVHM-MLGOLLRUSA-N 0 3 365.455 2.045 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N1CCCC[C@H]1C ZINC000500806201 561583128 /nfs/dbraw/zinc/58/31/28/561583128.db2.gz FNFWWENIXIFLTH-ZIAGYGMSSA-N 0 3 353.463 2.380 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290182300 552439361 /nfs/dbraw/zinc/43/93/61/552439361.db2.gz RAQQLYBCWDJXKQ-HXUWFJFHSA-N 0 3 366.465 2.326 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000290235771 552446472 /nfs/dbraw/zinc/44/64/72/552446472.db2.gz LNMHYLFFQCPOBE-UHFFFAOYSA-N 0 3 374.441 2.252 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CN(C)C(C)C ZINC000290463978 552483144 /nfs/dbraw/zinc/48/31/44/552483144.db2.gz YMJIBLUCYNQPMR-CQSZACIVSA-N 0 3 360.458 2.129 20 30 FEEDHN COCC1(C#N)CCN(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000500998068 561587427 /nfs/dbraw/zinc/58/74/27/561587427.db2.gz GSZJFRRTANNATM-UHFFFAOYSA-N 0 3 371.485 2.260 20 30 FEEDHN N#Cc1cccc(OC2CCN(C[C@H](O)COCC(F)(F)F)CC2)c1 ZINC000292638140 552745469 /nfs/dbraw/zinc/74/54/69/552745469.db2.gz ODYOJSNWCUGXMX-AWEZNQCLSA-N 0 3 358.360 2.341 20 30 FEEDHN C[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CCN(C2CCC2)C1 ZINC000293086550 552787488 /nfs/dbraw/zinc/78/74/88/552787488.db2.gz AOSPDFALLFTPCK-CYBMUJFWSA-N 0 3 374.872 2.483 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000293233684 552801568 /nfs/dbraw/zinc/80/15/68/552801568.db2.gz CCDBLZFIZIUVOL-UHFFFAOYSA-N 0 3 355.360 2.199 20 30 FEEDHN C#CCNC(=O)CCN1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000293990778 552873361 /nfs/dbraw/zinc/87/33/61/552873361.db2.gz FLLDGXCGLWMJKP-UHFFFAOYSA-N 0 3 354.372 2.128 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000294042428 552877551 /nfs/dbraw/zinc/87/75/51/552877551.db2.gz SRWHFFDZEIRQAN-KRWDZBQOSA-N 0 3 363.889 2.166 20 30 FEEDHN N#C[C@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC12CCCC2 ZINC000294619783 552921128 /nfs/dbraw/zinc/92/11/28/552921128.db2.gz RMLHYOFWGSNYCP-NRFANRHFSA-N 0 3 367.497 2.184 20 30 FEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1sccc1C#N ZINC000294790098 552934510 /nfs/dbraw/zinc/93/45/10/552934510.db2.gz OICXYBYHHAUFRJ-UHFFFAOYSA-N 0 3 374.441 2.288 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCC#Cc2cccc(F)c2)C1 ZINC000502768520 561625095 /nfs/dbraw/zinc/62/50/95/561625095.db2.gz ARXTWPFHOOSEHG-OALUTQOASA-N 0 3 359.445 2.072 20 30 FEEDHN CN(C)C(=O)O[C@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000296731318 553204211 /nfs/dbraw/zinc/20/42/11/553204211.db2.gz NZEDMUBQGUSNSJ-AWEZNQCLSA-N 0 3 364.833 2.313 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000502834265 561626967 /nfs/dbraw/zinc/62/69/67/561626967.db2.gz RFLZGEXKQSIRBM-RRFJBIMHSA-N 0 3 374.510 2.381 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000296793921 553212457 /nfs/dbraw/zinc/21/24/57/553212457.db2.gz HSUZNILXAHECGK-UHFFFAOYSA-N 0 3 374.460 2.141 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000296912650 553228623 /nfs/dbraw/zinc/22/86/23/553228623.db2.gz NUZVYNVJCPEMKJ-UHFFFAOYSA-N 0 3 353.470 2.407 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000297516009 553303065 /nfs/dbraw/zinc/30/30/65/553303065.db2.gz PNZLTYUHFBOYQK-IBGZPJMESA-N 0 3 369.465 2.480 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCOC2(C)C)cc1 ZINC000297852579 553347422 /nfs/dbraw/zinc/34/74/22/553347422.db2.gz OVALQFKUBURONM-RISCZKNCSA-N 0 3 351.428 2.061 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000298177633 553394559 /nfs/dbraw/zinc/39/45/59/553394559.db2.gz CZECANQGUYZFIC-NRFANRHFSA-N 0 3 355.482 2.146 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000298317024 553411679 /nfs/dbraw/zinc/41/16/79/553411679.db2.gz YZSBKISFPUSTRZ-UHFFFAOYSA-N 0 3 374.441 2.307 20 30 FEEDHN CN(C)CCOc1cccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000298831909 553478556 /nfs/dbraw/zinc/47/85/56/553478556.db2.gz AQENKRXQNSHKEJ-UHFFFAOYSA-N 0 3 373.478 2.118 20 30 FEEDHN C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)N(C)Cc1ccccc1 ZINC000301393576 553648148 /nfs/dbraw/zinc/64/81/48/553648148.db2.gz JMHLAEHXNZFEJD-CQSZACIVSA-N 0 3 358.467 2.138 20 30 FEEDHN CC(C(=O)N[C@H](C#N)c1ccccc1Cl)S(=O)(=O)C1CCOCC1 ZINC000505642034 561676003 /nfs/dbraw/zinc/67/60/03/561676003.db2.gz YBDHTRINBDQJFM-XHDPSFHLSA-N 0 3 370.858 2.003 20 30 FEEDHN COC[C@H]1CN(C(=O)NCCN2CCC3(CCCCC3)CC2)CCO1 ZINC000328608208 553795682 /nfs/dbraw/zinc/79/56/82/553795682.db2.gz LVISCHJJDVGTLS-QGZVFWFLSA-N 0 3 353.507 2.294 20 30 FEEDHN CCN1CCC(NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)CC1 ZINC000328676589 553805665 /nfs/dbraw/zinc/80/56/65/553805665.db2.gz LOSAPJPEZHTIDT-UHFFFAOYSA-N 0 3 364.534 2.499 20 30 FEEDHN C[C@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)N1CCC(C)CC1 ZINC000328719778 553812133 /nfs/dbraw/zinc/81/21/33/553812133.db2.gz VTOBAJRRSXLXFO-SQNIBIBYSA-N 0 3 367.534 2.178 20 30 FEEDHN C[C@@H](NC(=O)c1cc2c(s1)CCOC2)C(=O)NCCN1CCCCC1 ZINC000328752017 553816310 /nfs/dbraw/zinc/81/63/10/553816310.db2.gz CRSBVGMFUOKLQB-CYBMUJFWSA-N 0 3 365.499 2.382 20 30 FEEDHN Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)C1CCN(C2CC2)CC1 ZINC000328784205 553821842 /nfs/dbraw/zinc/82/18/42/553821842.db2.gz VPNKIRUSPIPTLV-RDJZCZTQSA-N 0 3 363.481 2.163 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C1 ZINC000328821857 553827891 /nfs/dbraw/zinc/82/78/91/553827891.db2.gz OYPYKJJZGUSKRN-HOCLYGCPSA-N 0 3 373.453 2.252 20 30 FEEDHN CN(C)[C@]1(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCSC1 ZINC000328870569 553836581 /nfs/dbraw/zinc/83/65/81/553836581.db2.gz YBPORNNNGXLBFW-IVSAIRAKSA-N 0 3 353.532 2.275 20 30 FEEDHN CN1CCO[C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21 ZINC000328927428 553846213 /nfs/dbraw/zinc/84/62/13/553846213.db2.gz XCRUMAZJIIRKTA-HOTGVXAUSA-N 0 3 374.510 2.491 20 30 FEEDHN CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)N(C)C1 ZINC000328994887 553861081 /nfs/dbraw/zinc/86/10/81/553861081.db2.gz GGJWHFXXFBDLAI-IKGGRYGDSA-N 0 3 353.507 2.433 20 30 FEEDHN Cc1noc([C@H](NC(=O)NCCN2CCC[C@H](C)C2)C2CCOCC2)n1 ZINC000329024621 553867242 /nfs/dbraw/zinc/86/72/42/553867242.db2.gz JCMCAOGQSDTVRZ-XJKSGUPXSA-N 0 3 365.478 2.081 20 30 FEEDHN N#Cc1ccc(NCC(=O)NCC2(N3CCSCC3)CCCC2)nc1 ZINC000329048779 553871572 /nfs/dbraw/zinc/87/15/72/553871572.db2.gz VVHUGKVAUWKMQT-UHFFFAOYSA-N 0 3 359.499 2.683 20 30 FEEDHN CNC(=O)Cc1noc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1 ZINC000329101413 553880586 /nfs/dbraw/zinc/88/05/86/553880586.db2.gz ZRNXEVAETATNHQ-PMPSAXMXSA-N 0 3 356.426 2.203 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329168792 553894108 /nfs/dbraw/zinc/89/41/08/553894108.db2.gz IXDGAZBFNOLHPY-ZSYWTGECSA-N 0 3 365.518 2.433 20 30 FEEDHN CC(C(=O)NC1(C)Cc2ccccc2C1)S(=O)(=O)C1CCOCC1 ZINC000329186186 553897936 /nfs/dbraw/zinc/89/79/36/553897936.db2.gz PTEQWTNLISOUFY-CYBMUJFWSA-N 0 3 351.468 2.483 20 30 FEEDHN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329310402 553922377 /nfs/dbraw/zinc/92/23/77/553922377.db2.gz QWDYKMSFSODEQK-CYBMUJFWSA-N 0 3 355.442 2.308 20 30 FEEDHN O=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CCN(C2CC2)C1 ZINC000329307261 553922641 /nfs/dbraw/zinc/92/26/41/553922641.db2.gz PMVKPNCZNQIBIL-GFCCVEGCSA-N 0 3 351.834 2.352 20 30 FEEDHN Cc1cc(=NC(=O)N2CCN(C3CCC(C)CC3)CC2)[nH]n1CCC#N ZINC000329393768 553938024 /nfs/dbraw/zinc/93/80/24/553938024.db2.gz WIHUNJAIPAKTAC-UHFFFAOYSA-N 0 3 358.490 2.833 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)[C@@H]2C1 ZINC000329464659 553951867 /nfs/dbraw/zinc/95/18/67/553951867.db2.gz VDHNJWKYMHPDDF-QGPMSJSTSA-N 0 3 374.460 2.261 20 30 FEEDHN COc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1N1CCCC1=O ZINC000329471333 553952605 /nfs/dbraw/zinc/95/26/05/553952605.db2.gz ZLTQJORQQIUDFB-WMLDXEAASA-N 0 3 372.469 2.394 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329502543 553959071 /nfs/dbraw/zinc/95/90/71/553959071.db2.gz YWAKBUXICLCSFI-DLBZAZTESA-N 0 3 350.507 2.109 20 30 FEEDHN Cc1ccc(CNC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cn1 ZINC000329825554 554013197 /nfs/dbraw/zinc/01/31/97/554013197.db2.gz IDLKOWGMAOJIPD-UHFFFAOYSA-N 0 3 359.518 2.154 20 30 FEEDHN Cc1c(C(=O)NCCN2CCCC(C)(C)C2)cnn1-c1ccc(=O)[nH]n1 ZINC000329940306 554035382 /nfs/dbraw/zinc/03/53/82/554035382.db2.gz GDNINQJAOMAAQC-UHFFFAOYSA-N 0 3 358.446 2.103 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CNC(C)(C)c3ccccc3)CC2)o1 ZINC000507362495 561726375 /nfs/dbraw/zinc/72/63/75/561726375.db2.gz SVFHSCZGYMXEOK-UHFFFAOYSA-N 0 3 367.453 2.028 20 30 FEEDHN CN(Cc1ccccc1NC(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CCCN1C ZINC000329959221 554039192 /nfs/dbraw/zinc/03/91/92/554039192.db2.gz QMKDHWJGLHBBRT-ROUUACIJSA-N 0 3 358.486 2.421 20 30 FEEDHN CCN1C(=O)CC[C@H](C(=O)N[C@H](C)C2=CCN(C)CC2)[C@@H]1c1cnn(C)c1 ZINC000329965015 554040375 /nfs/dbraw/zinc/04/03/75/554040375.db2.gz UERSEVSTDSSAJZ-LJHODMEESA-N 0 3 373.501 2.327 20 30 FEEDHN CC(=O)N1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000329980982 554043385 /nfs/dbraw/zinc/04/33/85/554043385.db2.gz MJWLVGUUWUULAQ-LPHOPBHVSA-N 0 3 358.486 2.118 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)CN1Cc1ccccc1 ZINC000330041731 554053747 /nfs/dbraw/zinc/05/37/47/554053747.db2.gz DFZGNYHVQFWMMF-PVAVHDDUSA-N 0 3 355.442 2.207 20 30 FEEDHN CN(C)C1(CNC(=O)N2CCS(=O)(=O)c3ccccc3C2)CCCC1 ZINC000330043263 554054120 /nfs/dbraw/zinc/05/41/20/554054120.db2.gz CKENUJFOPXOUML-UHFFFAOYSA-N 0 3 365.499 2.064 20 30 FEEDHN O=C(Cn1c(=O)sc2ccccc2c1=O)NC1CCN(C2CC2)CC1 ZINC000330048636 554055183 /nfs/dbraw/zinc/05/51/83/554055183.db2.gz ISODWINMPLKYOV-UHFFFAOYSA-N 0 3 359.451 2.007 20 30 FEEDHN CS[C@@H]1CN(C(=O)CNC(=O)c2ccsc2)C[C@@H]1N1CCCC1 ZINC000330123002 554068528 /nfs/dbraw/zinc/06/85/28/554068528.db2.gz KOTAGRAURBRGTA-UONOGXRCSA-N 0 3 353.513 2.091 20 30 FEEDHN CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)CCN1CCOC ZINC000507810779 561741636 /nfs/dbraw/zinc/74/16/36/561741636.db2.gz VLTIHNWCOSEHNY-SFHVURJKSA-N 0 3 368.485 2.291 20 30 FEEDHN Cc1nc(C2(NC(=O)Nc3ccn(C4CCN(C)CC4)n3)CCCC2)no1 ZINC000330176263 554078828 /nfs/dbraw/zinc/07/88/28/554078828.db2.gz CDYIQRLQTCQLOT-UHFFFAOYSA-N 0 3 373.461 2.637 20 30 FEEDHN Cc1c([C@H]2OCC[C@@H]2NC(=O)NCC(C)(C)N2CCCCC2)cnn1C ZINC000330318579 554104623 /nfs/dbraw/zinc/10/46/23/554104623.db2.gz CLWHZKXTBWUMOM-DLBZAZTESA-N 0 3 363.506 2.327 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000330337547 554107471 /nfs/dbraw/zinc/10/74/71/554107471.db2.gz UDABUAJPJQIQER-RYQLBKOJSA-N 0 3 363.506 2.327 20 30 FEEDHN C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000330374806 554112968 /nfs/dbraw/zinc/11/29/68/554112968.db2.gz NEHGFUUUHXRGIU-INIZCTEOSA-N 0 3 364.515 2.098 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000330588415 554142052 /nfs/dbraw/zinc/14/20/52/554142052.db2.gz YUWLLHFCSIUFLW-SUMWQHHRSA-N 0 3 353.463 2.189 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000508810970 561773531 /nfs/dbraw/zinc/77/35/31/561773531.db2.gz FXQQOKADNWCBDH-IRXDYDNUSA-N 0 3 363.506 2.253 20 30 FEEDHN CN1CCC2(CCCN2S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000333455883 554614979 /nfs/dbraw/zinc/61/49/79/554614979.db2.gz SRHVKJBOJFFCKB-UHFFFAOYSA-N 0 3 351.447 2.087 20 30 FEEDHN COc1ccc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1C#N ZINC000359876198 554855977 /nfs/dbraw/zinc/85/59/77/554855977.db2.gz UHFSYADTCKNTQC-MRXNPFEDSA-N 0 3 350.422 2.034 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000613157138 554893913 /nfs/dbraw/zinc/89/39/13/554893913.db2.gz NSQVLCZNIFXZGY-MRXNPFEDSA-N 0 3 365.441 2.053 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000362710095 554983221 /nfs/dbraw/zinc/98/32/21/554983221.db2.gz HXHJZUFAOGDMTB-VQIMIIECSA-N 0 3 356.470 2.373 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000362878731 554995476 /nfs/dbraw/zinc/99/54/76/554995476.db2.gz SKXCFVFWTUIXNB-SFHVURJKSA-N 0 3 367.497 2.245 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)c1 ZINC000363250079 555063418 /nfs/dbraw/zinc/06/34/18/555063418.db2.gz ISJXMYASEGCKLY-MAUKXSAKSA-N 0 3 367.474 2.477 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000363418149 555100631 /nfs/dbraw/zinc/10/06/31/555100631.db2.gz MVIXZKQAVXEZDU-RNIPGJKVSA-N 0 3 371.481 2.331 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000363424119 555102320 /nfs/dbraw/zinc/10/23/20/555102320.db2.gz OSVXWEXWXJLWKZ-UXPWSPDFSA-N 0 3 355.482 2.496 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000363663957 555159123 /nfs/dbraw/zinc/15/91/23/555159123.db2.gz VYGHXMJIHWCEGB-NSISKUIASA-N 0 3 371.481 2.137 20 30 FEEDHN COCc1nccc([C@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000364406235 555307716 /nfs/dbraw/zinc/30/77/16/555307716.db2.gz RTZCAFNFMUGKPA-HKUYNNGSSA-N 0 3 352.438 2.408 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2C(=N)NO)cc1C ZINC000364416225 555309526 /nfs/dbraw/zinc/30/95/26/555309526.db2.gz ONYSUTJCDYZBNC-QGZVFWFLSA-N 0 3 357.458 2.361 20 30 FEEDHN Cc1cc(NC(=O)N2CC[C@H](N3CCCC3)C2)nn1-c1cccc(C#N)c1 ZINC000364506350 555325774 /nfs/dbraw/zinc/32/57/74/555325774.db2.gz GFNYVLZHDLNOFD-SFHVURJKSA-N 0 3 364.453 2.754 20 30 FEEDHN N#Cc1ccc(CN2CC[C@@H](NCc3ccc(-n4cncn4)cc3)C2=O)cc1 ZINC000364599807 555349325 /nfs/dbraw/zinc/34/93/25/555349325.db2.gz FTWLILNSUFWKTJ-HXUWFJFHSA-N 0 3 372.432 2.030 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000512664649 561911720 /nfs/dbraw/zinc/91/17/20/561911720.db2.gz FMOCMFDQJVOVTP-UHFFFAOYSA-N 0 3 363.465 2.204 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365545797 555605166 /nfs/dbraw/zinc/60/51/66/555605166.db2.gz KGCNJXGEEPVJAS-IPELMVKDSA-N 0 3 368.481 2.151 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365545797 555605168 /nfs/dbraw/zinc/60/51/68/555605168.db2.gz KGCNJXGEEPVJAS-IPELMVKDSA-N 0 3 368.481 2.151 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000365925479 555702447 /nfs/dbraw/zinc/70/24/47/555702447.db2.gz WYSOPOYUAYPTFY-WMZOPIPTSA-N 0 3 367.497 2.405 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000366099757 555750938 /nfs/dbraw/zinc/75/09/38/555750938.db2.gz ZSONFHSQODXXJP-GOSISDBHSA-N 0 3 355.486 2.499 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCN(c3ncccn3)CC2)cc1 ZINC000366227066 555787091 /nfs/dbraw/zinc/78/70/91/555787091.db2.gz GAUOLAPLHRIVAL-IBGZPJMESA-N 0 3 374.448 2.063 20 30 FEEDHN C#CC[C@H](NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000367030661 556000389 /nfs/dbraw/zinc/00/03/89/556000389.db2.gz ROFUTISSXOWLTR-HLAWJBBLSA-N 0 3 368.525 2.418 20 30 FEEDHN C=CCN1CC[C@H](N2CCC3(C[C@@H]3c3nnc4n3CCCCC4)CC2)C1=O ZINC000367181773 556003120 /nfs/dbraw/zinc/00/31/20/556003120.db2.gz SLJAFXCQJHGZSQ-SJORKVTESA-N 0 3 369.513 2.361 20 30 FEEDHN N#Cc1ccc2ncc(CN[C@@H]3CCN(C(=O)Cc4ccccc4)C3)n2c1 ZINC000367411026 556041436 /nfs/dbraw/zinc/04/14/36/556041436.db2.gz VHVZDBPJUSOQFP-GOSISDBHSA-N 0 3 359.433 2.139 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)c1C ZINC000367460131 556056786 /nfs/dbraw/zinc/05/67/86/556056786.db2.gz YQIUXQVPSWTVLL-DYESRHJHSA-N 0 3 368.481 2.197 20 30 FEEDHN CN(C)[C@@H]1CCN(C(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)C1 ZINC000367761782 556132622 /nfs/dbraw/zinc/13/26/22/556132622.db2.gz USEBSTTYJICLSV-OAHLLOKOSA-N 0 3 362.424 2.215 20 30 FEEDHN C[C@H](CO)N1CCCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000367874729 556161554 /nfs/dbraw/zinc/16/15/54/556161554.db2.gz PMHRZDJQMQKCTJ-CYBMUJFWSA-N 0 3 352.276 2.209 20 30 FEEDHN C=CCNc1ncc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)s1 ZINC000622185467 556243694 /nfs/dbraw/zinc/24/36/94/556243694.db2.gz DPPQDNJEUYPYDS-AWEZNQCLSA-N 0 3 364.515 2.456 20 30 FEEDHN COc1cccc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)c1OC ZINC000515194573 562000064 /nfs/dbraw/zinc/00/00/64/562000064.db2.gz BLLHMSQCLICLHC-UHFFFAOYSA-N 0 3 374.462 2.181 20 30 FEEDHN CC(C)(C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1cc(F)cc(C#N)c1 ZINC000368612053 556362235 /nfs/dbraw/zinc/36/22/35/556362235.db2.gz GADZRXQRKVUEHT-GOSISDBHSA-N 0 3 359.445 2.344 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000368942912 556454500 /nfs/dbraw/zinc/45/45/00/556454500.db2.gz REQMADIPAKCZFS-INIZCTEOSA-N 0 3 370.501 2.096 20 30 FEEDHN N#Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)sc2c1CCC2 ZINC000368967205 556462037 /nfs/dbraw/zinc/46/20/37/556462037.db2.gz VSWNDAPZHKTZLW-XWCIJXRUSA-N 0 3 372.494 2.023 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(N3CCC3=O)c2)CC1 ZINC000515825618 562022818 /nfs/dbraw/zinc/02/28/18/562022818.db2.gz GYLJCEMQOSTBMH-UHFFFAOYSA-N 0 3 356.470 2.263 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000515952955 562026380 /nfs/dbraw/zinc/02/63/80/562026380.db2.gz RNENVTIVYJQPBY-GOSISDBHSA-N 0 3 370.501 2.049 20 30 FEEDHN COc1ccc([C@H](CCC#N)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000369322330 556574452 /nfs/dbraw/zinc/57/44/52/556574452.db2.gz QRUHYAFLZOFPFS-OXFYSEKESA-N 0 3 370.453 2.350 20 30 FEEDHN N#Cc1ncn(C2CCN(CCC(=O)Nc3ccccc3Cl)CC2)n1 ZINC000369389910 556587926 /nfs/dbraw/zinc/58/79/26/556587926.db2.gz UKSVMJKBTDEKIN-UHFFFAOYSA-N 0 3 358.833 2.469 20 30 FEEDHN CN1CCC(n2ccc(=NC(=O)N(CCC#N)Cc3ccco3)[nH]2)CC1 ZINC000369681096 556666879 /nfs/dbraw/zinc/66/68/79/556666879.db2.gz HYEQGPLGXMNMBX-UHFFFAOYSA-N 0 3 356.430 2.691 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000369682575 556667503 /nfs/dbraw/zinc/66/75/03/556667503.db2.gz FRQVKZJZXYZOSJ-NTZUZEMLSA-N 0 3 350.503 2.363 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000369755730 556686255 /nfs/dbraw/zinc/68/62/55/556686255.db2.gz ASFZOAQPFVPADF-APWZRJJASA-N 0 3 373.522 2.262 20 30 FEEDHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000370009013 556756036 /nfs/dbraw/zinc/75/60/36/556756036.db2.gz JMMBKPDNRJWWNK-LAUBAEHRSA-N 0 3 354.498 2.391 20 30 FEEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000370009014 556756371 /nfs/dbraw/zinc/75/63/71/556756371.db2.gz JMMBKPDNRJWWNK-UTKZUKDTSA-N 0 3 354.498 2.391 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)OC3(CCOCC3)C2)CC1 ZINC000370510488 556895420 /nfs/dbraw/zinc/89/54/20/556895420.db2.gz XMZODPDDSFVTCH-MRXNPFEDSA-N 0 3 351.491 2.006 20 30 FEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000517214123 562079756 /nfs/dbraw/zinc/07/97/56/562079756.db2.gz ZFFCYBABMWKHNW-HOTGVXAUSA-N 0 3 356.470 2.070 20 30 FEEDHN CN(c1ccccc1CN1CCN(C2CC2)[C@H](C#N)C1)C1CCN(C)CC1 ZINC000371326377 557147242 /nfs/dbraw/zinc/14/72/42/557147242.db2.gz IQBKTPNLKPBEEN-OAQYLSRUSA-N 0 3 367.541 2.389 20 30 FEEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCC(=O)Nc3sc(C)c(C)c3C#N)[C@H]2C1 ZINC000518828279 562119494 /nfs/dbraw/zinc/11/94/94/562119494.db2.gz FUVHKCNYTNRPMY-BHYGNILZSA-N 0 3 374.510 2.412 20 30 FEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCC(=O)Nc3sc(C)c(C)c3C#N)[C@H]2C1 ZINC000518828282 562119512 /nfs/dbraw/zinc/11/95/12/562119512.db2.gz FUVHKCNYTNRPMY-XIRDDKMYSA-N 0 3 374.510 2.412 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372341414 557444602 /nfs/dbraw/zinc/44/46/02/557444602.db2.gz BSFIYBCRFRYNMZ-NIKGAXFTSA-N 0 3 354.454 2.124 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000519286620 562128648 /nfs/dbraw/zinc/12/86/48/562128648.db2.gz FWNXDZIOTAFAIM-UHFFFAOYSA-N 0 3 356.514 2.384 20 30 FEEDHN C#CCOc1cc(F)ccc1NC(=O)N1CCCN(CCCOC)CC1 ZINC000372645118 557528237 /nfs/dbraw/zinc/52/82/37/557528237.db2.gz RASPHBOPPFHDOS-UHFFFAOYSA-N 0 3 363.433 2.414 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000373156874 557640668 /nfs/dbraw/zinc/64/06/68/557640668.db2.gz WLULKJTYJVMRCP-OALUTQOASA-N 0 3 374.529 2.394 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000373297894 557668118 /nfs/dbraw/zinc/66/81/18/557668118.db2.gz CHJWNYIMMVFINB-UHFFFAOYSA-N 0 3 368.441 3.064 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1[C@H]1CCCN1C(C)=O ZINC000374175772 557837888 /nfs/dbraw/zinc/83/78/88/557837888.db2.gz PHZQHISQGMRVHW-ZWKOTPCHSA-N 0 3 357.454 2.421 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000374284537 557857863 /nfs/dbraw/zinc/85/78/63/557857863.db2.gz AFKOZQBQUHCSJI-PKOBYXMFSA-N 0 3 357.498 2.349 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375019463 557965243 /nfs/dbraw/zinc/96/52/43/557965243.db2.gz LDAKWYAREXARSC-YQVWRLOYSA-N 0 3 370.497 2.356 20 30 FEEDHN N#Cc1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)nc1Cl ZINC000375139684 557982781 /nfs/dbraw/zinc/98/27/81/557982781.db2.gz AFQJKIWDOOJWSY-UHFFFAOYSA-N 0 3 362.861 2.372 20 30 FEEDHN Cc1cc(NC(=O)N(C)CCN(C)C2CC2)nn1-c1cccc(C#N)c1 ZINC000375335906 558011181 /nfs/dbraw/zinc/01/11/81/558011181.db2.gz YDAARYFOVNHEQL-UHFFFAOYSA-N 0 3 352.442 2.610 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000375691575 558068140 /nfs/dbraw/zinc/06/81/40/558068140.db2.gz XFBYDUYSIFWKJW-GXTWGEPZSA-N 0 3 353.875 2.459 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000375706342 558070362 /nfs/dbraw/zinc/07/03/62/558070362.db2.gz JLQFIBABHBZNRK-MOPGFXCFSA-N 0 3 364.449 2.244 20 30 FEEDHN CCOC(=O)C1(COC)CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000376003575 558112554 /nfs/dbraw/zinc/11/25/54/558112554.db2.gz NAIDMOIEIOCNQD-UHFFFAOYSA-N 0 3 352.475 2.379 20 30 FEEDHN CC(C)(O)CN1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000376073405 558123069 /nfs/dbraw/zinc/12/30/69/558123069.db2.gz HZIQGDJTVNAPQH-UHFFFAOYSA-N 0 3 361.461 2.280 20 30 FEEDHN CCCN1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000376156143 558134488 /nfs/dbraw/zinc/13/44/88/558134488.db2.gz HBDIZIVTTYPGNX-QGZVFWFLSA-N 0 3 358.461 2.468 20 30 FEEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000376191671 558138753 /nfs/dbraw/zinc/13/87/53/558138753.db2.gz ZGJUALGZBOMYAY-RYUDHWBXSA-N 0 3 362.355 2.221 20 30 FEEDHN C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000376318752 558157338 /nfs/dbraw/zinc/15/73/38/558157338.db2.gz BERRJIZSPOIIHS-GOEBONIOSA-N 0 3 359.451 2.340 20 30 FEEDHN C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000376318752 558157339 /nfs/dbraw/zinc/15/73/39/558157339.db2.gz BERRJIZSPOIIHS-GOEBONIOSA-N 0 3 359.451 2.340 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000376361861 558162966 /nfs/dbraw/zinc/16/29/66/558162966.db2.gz ZTBKGQHHJSEAJH-IUODEOHRSA-N 0 3 353.875 2.459 20 30 FEEDHN C[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CCN1C1CCN(C)CC1 ZINC000376449176 558174594 /nfs/dbraw/zinc/17/45/94/558174594.db2.gz LXXCRUXMXMUGCN-AWEZNQCLSA-N 0 3 372.904 2.464 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]3COC[C@H]32)cc1 ZINC000376625999 558199550 /nfs/dbraw/zinc/19/95/50/558199550.db2.gz AMFISIKBAFFAOF-HEHGZKQESA-N 0 3 363.439 2.015 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1 ZINC000377334628 558317869 /nfs/dbraw/zinc/31/78/69/558317869.db2.gz OTHQWIKYKQJDPE-RDJZCZTQSA-N 0 3 357.454 2.275 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000377472992 558346996 /nfs/dbraw/zinc/34/69/96/558346996.db2.gz PZWIBOOHIXICIC-IIMRFPQDSA-N 0 3 372.465 2.253 20 30 FEEDHN C[C@@]1(C2CCN(Cc3cccc(OCCCC#N)c3)CC2)NC(=O)NC1=O ZINC000378339104 558533109 /nfs/dbraw/zinc/53/31/09/558533109.db2.gz DOKSMDZYHRZOIL-FQEVSTJZSA-N 0 3 370.453 2.179 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000409586301 558705498 /nfs/dbraw/zinc/70/54/98/558705498.db2.gz JOKFURSXLFILAN-UHFFFAOYSA-N 0 3 370.544 2.030 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000410126573 558740246 /nfs/dbraw/zinc/74/02/46/558740246.db2.gz BINHXXLIFIIGFA-KRWDZBQOSA-N 0 3 364.515 2.063 20 30 FEEDHN Cc1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)ccc1OCCN(C)C ZINC000411346974 558881464 /nfs/dbraw/zinc/88/14/64/558881464.db2.gz AEYMCKKBOYJMRB-UHFFFAOYSA-N 0 3 372.469 2.026 20 30 FEEDHN N#Cc1ccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000525493406 562249236 /nfs/dbraw/zinc/24/92/36/562249236.db2.gz ZLASSHIACXYNJU-FQEVSTJZSA-N 0 3 350.422 2.317 20 30 FEEDHN N#Cc1cccnc1OC1CCC(NC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000525852998 562257314 /nfs/dbraw/zinc/25/73/14/562257314.db2.gz OATJCWBTAQVFAS-PQUAAJSLSA-N 0 3 369.469 2.179 20 30 FEEDHN C=CCN1CCC(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000412039725 559005607 /nfs/dbraw/zinc/00/56/07/559005607.db2.gz LQMJNTFASCKNGB-UHFFFAOYSA-N 0 3 351.378 2.052 20 30 FEEDHN C=C[C@H](CC(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000412466643 559037414 /nfs/dbraw/zinc/03/74/14/559037414.db2.gz SFNZHQWEQXJFES-LJQANCHMSA-N 0 3 371.525 2.259 20 30 FEEDHN Cc1cc(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413215343 559089035 /nfs/dbraw/zinc/08/90/35/559089035.db2.gz AEOLJMVEHBQVOP-HNNXBMFYSA-N 0 3 357.458 2.380 20 30 FEEDHN CCN1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000413263687 559093238 /nfs/dbraw/zinc/09/32/38/559093238.db2.gz MSQHBGOWZWZDBG-CVEARBPZSA-N 0 3 359.449 2.060 20 30 FEEDHN C=CCN(C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000413836493 559133643 /nfs/dbraw/zinc/13/36/43/559133643.db2.gz QFFNDHHNWXTELT-UHFFFAOYSA-N 0 3 370.497 2.244 20 30 FEEDHN COc1ccc(C[C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000414140697 559150674 /nfs/dbraw/zinc/15/06/74/559150674.db2.gz RDKKPMKFZRFYCP-HNAYVOBHSA-N 0 3 364.449 2.284 20 30 FEEDHN Cn1cc(CNCC2(CS(C)(=O)=O)CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000414549373 559170963 /nfs/dbraw/zinc/17/09/63/559170963.db2.gz AEBYSHNMRNGNRN-UHFFFAOYSA-N 0 3 372.494 2.263 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ncccc3CN)C2)c(F)c1 ZINC000415990507 559287479 /nfs/dbraw/zinc/28/74/79/559287479.db2.gz TWFMAKSDRSPFME-HNNXBMFYSA-N 0 3 368.416 2.342 20 30 FEEDHN C[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CN1CCN(C)CC1 ZINC000416688322 559329802 /nfs/dbraw/zinc/32/98/02/559329802.db2.gz PABOJIAUIACLEO-OXQOHEQNSA-N 0 3 369.513 2.118 20 30 FEEDHN N#Cc1ccccc1CSCCNC(=O)N[C@H]1CNCCC1(F)F ZINC000416873936 559336170 /nfs/dbraw/zinc/33/61/70/559336170.db2.gz STWZQIMXZKEOOD-AWEZNQCLSA-N 0 3 354.426 2.088 20 30 FEEDHN C=CCc1cc(CNC(=O)N[C@@H]2CNCCC2(F)F)cc(OC)c1OC ZINC000417377698 559359906 /nfs/dbraw/zinc/35/99/06/559359906.db2.gz DJVQFKKDPVNJIS-OAHLLOKOSA-N 0 3 369.412 2.229 20 30 FEEDHN C=CCOc1c(Br)cc(CN[C@H](CO)[C@@H](C)O)cc1OCC ZINC000419802277 559459961 /nfs/dbraw/zinc/45/99/61/559459961.db2.gz CQAPPBDXADWYJZ-BXUZGUMPSA-N 0 3 374.275 2.244 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](CN)CC(C)C ZINC000419964925 559466715 /nfs/dbraw/zinc/46/67/15/559466715.db2.gz WMLJFOKNIMFHMY-LBPRGKRZSA-N 0 3 357.907 2.406 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(CC2(N(C)Cc3ccccc3)CCC2)C1=O ZINC000420011503 559468751 /nfs/dbraw/zinc/46/87/51/559468751.db2.gz YXMFTTWFEBDJHT-QGZVFWFLSA-N 0 3 357.454 2.164 20 30 FEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1F ZINC000421358425 559540151 /nfs/dbraw/zinc/54/01/51/559540151.db2.gz SXSUEYMQNFWJKF-KRWDZBQOSA-N 0 3 353.397 2.467 20 30 FEEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](N)C1 ZINC000423553673 559631875 /nfs/dbraw/zinc/63/18/75/559631875.db2.gz DMCZUKQEWPUYBQ-FGTMMUONSA-N 0 3 359.445 2.036 20 30 FEEDHN COc1cc(CNC(=O)[C@@H](N)CCCC#N)cc(Br)c1OC ZINC000424109718 559655038 /nfs/dbraw/zinc/65/50/38/559655038.db2.gz BBGAIZDLOLDRIZ-LBPRGKRZSA-N 0 3 370.247 2.104 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ncc(I)s1 ZINC000424178741 559657008 /nfs/dbraw/zinc/65/70/08/559657008.db2.gz WRZZSHNQUHBNNK-IUCAKERBSA-N 0 3 350.225 2.428 20 30 FEEDHN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)n1 ZINC000424186911 559657069 /nfs/dbraw/zinc/65/70/69/559657069.db2.gz JEWQEONMXBXIML-AAEUAGOBSA-N 0 3 350.444 2.004 20 30 FEEDHN C=CCCn1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)nn1 ZINC000424658061 559672665 /nfs/dbraw/zinc/67/26/65/559672665.db2.gz DKOXNWHKMNZFNM-UHFFFAOYSA-N 0 3 363.531 2.336 20 30 FEEDHN C=CCCn1cc(C(=O)Nc2ccc(OCCN(C)C)c(OC)c2)nn1 ZINC000424885545 559679313 /nfs/dbraw/zinc/67/93/13/559679313.db2.gz DIQJLWYKGBWOHI-UHFFFAOYSA-N 0 3 359.430 2.056 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000425245766 559693037 /nfs/dbraw/zinc/69/30/37/559693037.db2.gz KFAZYMZDELJJMN-UHFFFAOYSA-N 0 3 357.458 2.461 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(CC(F)F)C2)cc1 ZINC000425658230 559713502 /nfs/dbraw/zinc/71/35/02/559713502.db2.gz CJPCIPIAZLIVHC-JTQLQIEISA-N 0 3 357.382 2.491 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000425886980 559724041 /nfs/dbraw/zinc/72/40/41/559724041.db2.gz QXKKRNVASYVPGB-MAUKXSAKSA-N 0 3 368.481 2.211 20 30 FEEDHN N#Cc1c(F)cccc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000427258060 559751543 /nfs/dbraw/zinc/75/15/43/559751543.db2.gz BEQIUALPZSDGOH-FQEVSTJZSA-N 0 3 353.397 2.064 20 30 FEEDHN C=CCCCS(=O)(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000427778309 559762299 /nfs/dbraw/zinc/76/22/99/559762299.db2.gz LTZIVZQBEWRPPE-UHFFFAOYSA-N 0 3 365.499 2.220 20 30 FEEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429303591 559795346 /nfs/dbraw/zinc/79/53/46/559795346.db2.gz DKYCTQZEHIOLED-INIZCTEOSA-N 0 3 373.416 2.145 20 30 FEEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)o1 ZINC000429847568 559806962 /nfs/dbraw/zinc/80/69/62/559806962.db2.gz OFGRIGILCOWSCJ-UHFFFAOYSA-N 0 3 352.394 2.101 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2cscn2)cc1 ZINC000429928008 559808961 /nfs/dbraw/zinc/80/89/61/559808961.db2.gz QXXRMPUNEMCDES-LLVKDONJSA-N 0 3 364.452 2.193 20 30 FEEDHN N#CCC1(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000430363680 559818519 /nfs/dbraw/zinc/81/85/19/559818519.db2.gz HQPZZJLETQJZLH-UHFFFAOYSA-N 0 3 354.454 2.421 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN(CCO)[C@@H]1CCCSC1 ZINC000433191031 559872878 /nfs/dbraw/zinc/87/28/78/559872878.db2.gz TXUMTWXCETWQAQ-QZTJIDSGSA-N 0 3 351.512 2.345 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000433307503 559876332 /nfs/dbraw/zinc/87/63/32/559876332.db2.gz UZLMZRIUIGXUJF-QGZVFWFLSA-N 0 3 356.447 2.349 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000437499540 559965254 /nfs/dbraw/zinc/96/52/54/559965254.db2.gz VLLRQBFLXRSYIC-GHTZIAJQSA-N 0 3 357.498 2.296 20 30 FEEDHN N#Cc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)c(OC(F)F)c1 ZINC000437895847 559971254 /nfs/dbraw/zinc/97/12/54/559971254.db2.gz LZNDSCDVPXEZIB-HNNXBMFYSA-N 0 3 351.397 2.314 20 30 FEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000439433852 559993666 /nfs/dbraw/zinc/99/36/66/559993666.db2.gz BKIGEERMZRAUHG-OAHLLOKOSA-N 0 3 360.433 2.263 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000442107055 560044005 /nfs/dbraw/zinc/04/40/05/560044005.db2.gz DEUMHPLINFQBRF-MGPQQGTHSA-N 0 3 353.463 2.342 20 30 FEEDHN CN(C)CCN1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000443917099 560096211 /nfs/dbraw/zinc/09/62/11/560096211.db2.gz QHEKJAOERRCVQX-UHFFFAOYSA-N 0 3 367.497 2.264 20 30 FEEDHN Cc1cc(CNCCC(=O)N2CCN(c3ccccn3)CC2)ccc1C#N ZINC000443982065 560098318 /nfs/dbraw/zinc/09/83/18/560098318.db2.gz UVXBVEJLACGHDC-UHFFFAOYSA-N 0 3 363.465 2.090 20 30 FEEDHN C[C@H](c1ccc(-c2ccc(C#N)cc2CO)cc1)N1CCN(CCO)CC1 ZINC000527587326 562296585 /nfs/dbraw/zinc/29/65/85/562296585.db2.gz JOCVDVKHEFSHJK-QGZVFWFLSA-N 0 3 365.477 2.388 20 30 FEEDHN COc1cccc([C@@H](CNC(=O)Cc2ccc(C#N)nc2)N2CCCC2)c1 ZINC000527683753 562300096 /nfs/dbraw/zinc/30/00/96/562300096.db2.gz LSBCLYJXDJZXLK-HXUWFJFHSA-N 0 3 364.449 2.458 20 30 FEEDHN COCCN(C)CC[C@H](NC(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC000448907359 560206060 /nfs/dbraw/zinc/20/60/60/560206060.db2.gz HYYDVRPTYRMQJQ-SFHVURJKSA-N 0 3 354.454 2.336 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3ccc(C#N)s3)C2)CC1 ZINC000449498394 560231710 /nfs/dbraw/zinc/23/17/10/560231710.db2.gz LGFMTCZRQHTHMT-QGZVFWFLSA-N 0 3 360.527 2.386 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCN1C ZINC000449943192 560246022 /nfs/dbraw/zinc/24/60/22/560246022.db2.gz YHBQHRIBCFXCRC-WCQYABFASA-N 0 3 366.259 2.298 20 30 FEEDHN N#Cc1cccc(NC[C@H](O)CN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000450243838 560255457 /nfs/dbraw/zinc/25/54/57/560255457.db2.gz UAPZESLBLJZYJG-KRWDZBQOSA-N 0 3 352.394 2.298 20 30 FEEDHN C=CCOc1ccc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000450319483 560258407 /nfs/dbraw/zinc/25/84/07/560258407.db2.gz YWMDMAVZZVYGAZ-RXVVDRJESA-N 0 3 371.525 2.278 20 30 FEEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H]1CCCN1CCCO ZINC000450599185 560267544 /nfs/dbraw/zinc/26/75/44/560267544.db2.gz RXBSXYMMMQDUEC-GFCCVEGCSA-N 0 3 364.371 2.204 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3ccc(C)c(C#N)n3)C2)CC1 ZINC000450775245 560272931 /nfs/dbraw/zinc/27/29/31/560272931.db2.gz POCAHUCZHMJOOQ-GOSISDBHSA-N 0 3 355.486 2.032 20 30 FEEDHN COC1CCN(C2(CNS(=O)(=O)CC(C)(C)CC#N)CCCC2)CC1 ZINC000451177004 560291507 /nfs/dbraw/zinc/29/15/07/560291507.db2.gz SSAAWPHNWVHXJP-UHFFFAOYSA-N 0 3 371.547 2.269 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000451606986 560317116 /nfs/dbraw/zinc/31/71/16/560317116.db2.gz JISZTIVQZKNMTL-MOPGFXCFSA-N 0 3 354.454 2.038 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000451671367 560321007 /nfs/dbraw/zinc/32/10/07/560321007.db2.gz FRSBQAJKHXHXLH-MOPGFXCFSA-N 0 3 358.482 2.174 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CC)Cc1ccc2c(c1)OCCO2 ZINC000451675691 560321444 /nfs/dbraw/zinc/32/14/44/560321444.db2.gz QMBBWQAIBPAQNQ-SJORKVTESA-N 0 3 360.454 2.130 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)cnc2OC(C)C)CC1 ZINC000453634267 560392232 /nfs/dbraw/zinc/39/22/32/560392232.db2.gz ASWPOTRPTRMQSA-UHFFFAOYSA-N 0 3 374.485 2.272 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C1=CCN(C)CC1 ZINC000453753874 560401822 /nfs/dbraw/zinc/40/18/22/560401822.db2.gz KVTDLONBUNQOCZ-LBPRGKRZSA-N 0 3 360.845 2.111 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O)C(C)C ZINC000455623030 560489589 /nfs/dbraw/zinc/48/95/89/560489589.db2.gz MCLXFXKNERBEIB-OKZBNKHCSA-N 0 3 362.518 2.138 20 30 FEEDHN C[C@@H]1CN(CCCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCCO1 ZINC000455760074 560494045 /nfs/dbraw/zinc/49/40/45/560494045.db2.gz MDVXMOWHLIWFAQ-GFCCVEGCSA-N 0 3 351.838 2.229 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)Nc2cnc(C#N)c(Cl)c2)ccn1 ZINC000455796586 560495022 /nfs/dbraw/zinc/49/50/22/560495022.db2.gz UZFYGBHVMQPMOK-UHFFFAOYSA-N 0 3 374.832 2.264 20 30 FEEDHN Cc1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)ncc1C#N ZINC000457631666 560578871 /nfs/dbraw/zinc/57/88/71/560578871.db2.gz VKSNJPARKXTELT-UHFFFAOYSA-N 0 3 350.422 2.471 20 30 FEEDHN Cc1nnc(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000461874892 560786063 /nfs/dbraw/zinc/78/60/63/560786063.db2.gz CWEGNCNPFAQWBR-UHFFFAOYSA-N 0 3 372.498 2.034 20 30 FEEDHN C[C@H](C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000462270478 560803826 /nfs/dbraw/zinc/80/38/26/560803826.db2.gz OCTCGEAOJXKMKQ-FUHIMQAGSA-N 0 3 354.498 2.146 20 30 FEEDHN CC(C#N)C(=O)N(CCCNC(=O)[C@@H](C)C#N)CCCc1ccccc1 ZINC000468783230 560938620 /nfs/dbraw/zinc/93/86/20/560938620.db2.gz BEMDOULVNAYXMF-IRXDYDNUSA-N 0 3 354.454 2.273 20 30 FEEDHN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCN1CCCC(C)(C)C1 ZINC000470283938 560978065 /nfs/dbraw/zinc/97/80/65/560978065.db2.gz OYZCMBWMCVUWJF-IBGZPJMESA-N 0 3 351.491 2.486 20 30 FEEDHN CC(C#N)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000470374215 560979952 /nfs/dbraw/zinc/97/99/52/560979952.db2.gz IFIFHPPCGHCYKF-LLVKDONJSA-N 0 3 370.236 2.203 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNC(=O)CC2CCCC2)cc1 ZINC000470891533 560992958 /nfs/dbraw/zinc/99/29/58/560992958.db2.gz MFLKAUOTHQVACE-GOSISDBHSA-N 0 3 352.438 2.053 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000471855045 561013021 /nfs/dbraw/zinc/01/30/21/561013021.db2.gz DQEMUSOPJVBXHS-XIRDDKMYSA-N 0 3 359.470 2.360 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nccn2CC(F)(F)F)cc1 ZINC000472025884 561016325 /nfs/dbraw/zinc/01/63/25/561016325.db2.gz QQYDZBRGTOTRIR-CQSZACIVSA-N 0 3 361.327 2.316 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000472490863 561027684 /nfs/dbraw/zinc/02/76/84/561027684.db2.gz ZXKYUQUXVCZQNW-OAHLLOKOSA-N 0 3 361.361 2.129 20 30 FEEDHN C[C@@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000473660238 561055291 /nfs/dbraw/zinc/05/52/91/561055291.db2.gz MIZVTOVUTTVGDL-MRXNPFEDSA-N 0 3 357.502 2.335 20 30 FEEDHN CC(C)N1CCN(c2cccc(NC(=O)c3cnn(C)c3C#N)c2)CC1 ZINC000476533516 561121771 /nfs/dbraw/zinc/12/17/71/561121771.db2.gz DWBANNBRMHOIPS-UHFFFAOYSA-N 0 3 352.442 2.074 20 30 FEEDHN CCn1nccc1C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528483347 562331635 /nfs/dbraw/zinc/33/16/35/562331635.db2.gz GAAGRDNSNADQOY-GOSISDBHSA-N 0 3 354.454 2.394 20 30 FEEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(C#N)nc1 ZINC000528513265 562333439 /nfs/dbraw/zinc/33/34/39/562333439.db2.gz SFFJIQQLEFILCK-HXUWFJFHSA-N 0 3 363.465 2.404 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000528554988 562336141 /nfs/dbraw/zinc/33/61/41/562336141.db2.gz MVKBTEPUGVBNHZ-PWRODBHTSA-N 0 3 366.461 2.396 20 30 FEEDHN COCc1ccc(NC(=O)c2ccnc(OCCN(C)C)c2)cc1C#N ZINC000529817755 562386549 /nfs/dbraw/zinc/38/65/49/562386549.db2.gz QAXHJPJMYPFXHT-UHFFFAOYSA-N 0 3 354.410 2.292 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000530231633 562403053 /nfs/dbraw/zinc/40/30/53/562403053.db2.gz SBXMUVGVXQMUTN-IRXDYDNUSA-N 0 3 373.403 2.445 20 30 FEEDHN C[C@H]1CN(CC2CCN(C(=O)Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000530676268 562420148 /nfs/dbraw/zinc/42/01/48/562420148.db2.gz ULLZUCNIFYIXFP-IRXDYDNUSA-N 0 3 355.482 2.449 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000532067623 562465854 /nfs/dbraw/zinc/46/58/54/562465854.db2.gz QMKBURSUUXXMNR-KBXCAEBGSA-N 0 3 371.460 2.012 20 30 FEEDHN CS[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1N(C)C ZINC000534951997 562546094 /nfs/dbraw/zinc/54/60/94/562546094.db2.gz QTVDMQLQPDPMQK-BPQIPLTHSA-N 0 3 360.527 2.299 20 30 FEEDHN CN(C)CCOCCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000540846882 562594300 /nfs/dbraw/zinc/59/43/00/562594300.db2.gz WSDJEOMFTOCVJX-UHFFFAOYSA-N 0 3 357.410 2.038 20 30 FEEDHN CCOC(=O)[C@@]1(CNC(=O)C(C#N)CCc2ccccc2)CCCOC1 ZINC000601870280 567868621 /nfs/dbraw/zinc/86/86/21/567868621.db2.gz OFIBAWLOGNOEDJ-YLJYHZDGSA-N 0 3 358.438 2.235 20 30 FEEDHN N#CCCCCNC(=O)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000602244552 567959069 /nfs/dbraw/zinc/95/90/69/567959069.db2.gz HJKZHEXBTISGIH-LJQANCHMSA-N 0 3 370.497 2.357 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccnc1N1CCN(C)CC1 ZINC000602535067 567992170 /nfs/dbraw/zinc/99/21/70/567992170.db2.gz XIJPNINHWCAGSL-QGZVFWFLSA-N 0 3 357.502 2.022 20 30 FEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000602877280 568010379 /nfs/dbraw/zinc/01/03/79/568010379.db2.gz DZRSKBDHQIEAEB-HNNXBMFYSA-N 0 3 366.469 2.412 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330268709 568052398 /nfs/dbraw/zinc/05/23/98/568052398.db2.gz RIGFQBSONVZAAD-JKSUJKDBSA-N 0 3 351.491 2.187 20 30 FEEDHN Cc1ccc(NCc2cnc3c(C#N)cnn3c2)c(OCCN(C)C)c1 ZINC000569458589 568398934 /nfs/dbraw/zinc/39/89/34/568398934.db2.gz BXLQYBNBWWVMLN-UHFFFAOYSA-N 0 3 350.426 2.462 20 30 FEEDHN CN1CC[C@H](NCc2cnc3c(C#N)cnn3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000569811153 568426730 /nfs/dbraw/zinc/42/67/30/568426730.db2.gz NHQCHIMCTMYYQI-ZWKOTPCHSA-N 0 3 368.391 2.414 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1nn(C)c2ccccc2c1=O ZINC000605075006 568553495 /nfs/dbraw/zinc/55/34/95/568553495.db2.gz MDQCYBXSGMIGQC-CYBMUJFWSA-N 0 3 357.373 2.310 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000735420248 598269753 /nfs/dbraw/zinc/26/97/53/598269753.db2.gz NOYSCQZROGXRSX-CQSZACIVSA-N 0 3 369.473 2.047 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000735420248 598269754 /nfs/dbraw/zinc/26/97/54/598269754.db2.gz NOYSCQZROGXRSX-CQSZACIVSA-N 0 3 369.473 2.047 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000557853559 674471358 /nfs/dbraw/zinc/47/13/58/674471358.db2.gz AKWDAKMMWSOZJA-WBMJQRKESA-N 0 3 353.875 2.459 20 30 FEEDHN CC(C)(CCC#N)C[NH+]1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824152903 608594205 /nfs/dbraw/zinc/59/42/05/608594205.db2.gz SFQCUWDFBTYCAY-UHFFFAOYSA-N 0 3 357.437 2.458 20 30 FEEDHN C#C[C@@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811859554 674634059 /nfs/dbraw/zinc/63/40/59/674634059.db2.gz UCZVBKMSYGBVLY-GOSISDBHSA-N 0 3 362.905 2.341 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814646283 674872319 /nfs/dbraw/zinc/87/23/19/674872319.db2.gz WZIJJVRRRHXZOW-HNNXBMFYSA-N 0 3 351.491 2.400 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CN(Cc3scnc3C)C[C@H]2C1 ZINC001048827219 675015872 /nfs/dbraw/zinc/01/58/72/675015872.db2.gz XIENSKFEULMSFV-TWMKSMIVSA-N 0 3 361.511 2.323 20 30 FEEDHN CCN1CCN(Cc2ccc(CNCc3nc(C#N)cs3)cc2)CC1 ZINC000571485183 670880622 /nfs/dbraw/zinc/88/06/22/670880622.db2.gz GJJHDYVGFBVGGK-UHFFFAOYSA-N 0 3 355.511 2.442 20 30 FEEDHN C=CCC[C@@H](CO)NCCS(=O)(=O)c1cccc(Br)c1 ZINC000578192837 671647678 /nfs/dbraw/zinc/64/76/78/671647678.db2.gz BOXJTLAIUDBXLC-ZDUSSCGKSA-N 0 3 362.289 2.140 20 30 FEEDHN C#CCSCCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000118988158 671889924 /nfs/dbraw/zinc/88/99/24/671889924.db2.gz NEVHDOAUCLLIQY-GOSISDBHSA-N 0 3 361.511 2.498 20 30 FEEDHN N#CCN1CCC(OC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000120944434 671939218 /nfs/dbraw/zinc/93/92/18/671939218.db2.gz UYMMZSFHHVHACN-INIZCTEOSA-N 0 3 361.829 2.224 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000124234137 671993332 /nfs/dbraw/zinc/99/33/32/671993332.db2.gz ZZJYVBLALZVCSW-IUODEOHRSA-N 0 3 352.818 2.359 20 30 FEEDHN C#CCSCCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000172400344 672341630 /nfs/dbraw/zinc/34/16/30/672341630.db2.gz XVMLIFAZRSUYRO-GOSISDBHSA-N 0 3 361.511 2.498 20 30 FEEDHN C[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)CN1CCN(C)CC1 ZINC000611094227 676016819 /nfs/dbraw/zinc/01/68/19/676016819.db2.gz BNXIIGSXYGVCGA-LBPRGKRZSA-N 0 3 369.296 2.478 20 30 FEEDHN CN(C)C[C@H](CO)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000588864469 672486509 /nfs/dbraw/zinc/48/65/09/672486509.db2.gz JIPLKXAJBSSGMV-OAHLLOKOSA-N 0 3 355.463 2.362 20 30 FEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000195281278 672780734 /nfs/dbraw/zinc/78/07/34/672780734.db2.gz AETVYTPOQAWRCU-RYUDHWBXSA-N 0 3 354.332 2.003 20 30 FEEDHN CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CN2CCC1CC2 ZINC000593461883 672926966 /nfs/dbraw/zinc/92/69/66/672926966.db2.gz STJDSOZLYWKYJI-INIZCTEOSA-N 0 3 362.271 2.416 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@H]2C1 ZINC000593589998 672952383 /nfs/dbraw/zinc/95/23/83/672952383.db2.gz WPPPFVDUKIDWQG-WBMJQRKESA-N 0 3 362.271 2.416 20 30 FEEDHN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1C ZINC000594431082 673070923 /nfs/dbraw/zinc/07/09/23/673070923.db2.gz HBRAQJIJJIHRSP-AWEZNQCLSA-N 0 3 366.487 2.497 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NCCOc1cccc(Br)c1 ZINC000594431131 673071236 /nfs/dbraw/zinc/07/12/36/673071236.db2.gz IFQRJEUTEPAOOT-CQSZACIVSA-N 0 3 354.248 2.355 20 30 FEEDHN CC(C)C(=O)N1CCC(NC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000329634127 673080626 /nfs/dbraw/zinc/08/06/26/673080626.db2.gz XASYCYOFQYNXJR-KRWDZBQOSA-N 0 3 350.507 2.154 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCCN(C)[C@H]2c2cccs2)C1=O ZINC000348579704 673116068 /nfs/dbraw/zinc/11/60/68/673116068.db2.gz YEODMAVQLAZBGQ-OFQRWUPVSA-N 0 3 363.483 2.254 20 30 FEEDHN CC(=O)Nc1nnc(SCC(=O)C(C#N)c2nc(C)cs2)s1 ZINC000729643388 673242117 /nfs/dbraw/zinc/24/21/17/673242117.db2.gz VCDYJSMPBJAENJ-MRVPVSSYSA-N 0 3 353.454 2.230 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000729888642 673251692 /nfs/dbraw/zinc/25/16/92/673251692.db2.gz MHTBRVONGSPTDM-JTQLQIEISA-N 0 3 352.316 2.289 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCCN(c2cccc(F)c2F)CC1 ZINC000595505877 673258878 /nfs/dbraw/zinc/25/88/78/673258878.db2.gz ZZKYKHYDIXFHBU-UHFFFAOYSA-N 0 3 350.413 2.239 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](CO)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000613390102 676127026 /nfs/dbraw/zinc/12/70/26/676127026.db2.gz WPLIHNZGJDUVPU-DNVCBOLYSA-N 0 3 358.463 2.086 20 30 FEEDHN c1ccc2sc(N=NC3CCN(CCN4CCOCC4)CC3)nc2c1 ZINC000731560911 673334417 /nfs/dbraw/zinc/33/44/17/673334417.db2.gz ZREXGAKWCGATNL-UHFFFAOYSA-N 0 3 359.499 2.492 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](O)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000596068221 673355483 /nfs/dbraw/zinc/35/54/83/673355483.db2.gz GESVQKRYPHDASX-DNVCBOLYSA-N 0 3 358.463 2.086 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC(=O)OCC)C(F)(F)F)CC1 ZINC000597010480 673437686 /nfs/dbraw/zinc/43/76/86/673437686.db2.gz JMPABRQSCRIBBU-CYBMUJFWSA-N 0 3 365.396 2.210 20 30 FEEDHN COc1ncc(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cn1 ZINC000734080221 673451487 /nfs/dbraw/zinc/45/14/87/673451487.db2.gz MBYYQCUSVDIEPV-NSHDSACASA-N 0 3 360.757 2.108 20 30 FEEDHN N#Cc1ccc2c(c1)N(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)CC2 ZINC000597445819 673478855 /nfs/dbraw/zinc/47/88/55/673478855.db2.gz YNOYRJAWUOBUNN-ZIAGYGMSSA-N 0 3 354.328 2.431 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@H](O)c1cnn(C)c1 ZINC000742376606 673725982 /nfs/dbraw/zinc/72/59/82/673725982.db2.gz ZFUMQEAPYBIBGP-HNNXBMFYSA-N 0 3 364.243 2.018 20 30 FEEDHN CN(C)CC1(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC1 ZINC000544864514 673737620 /nfs/dbraw/zinc/73/76/20/673737620.db2.gz GCYDUOBYDAAMCM-UHFFFAOYSA-N 0 3 372.288 2.083 20 30 FEEDHN N#CC1(C[C@@H](O)CNCc2cc(Cl)cc3c2OCC3)CCOCC1 ZINC000600733092 673795121 /nfs/dbraw/zinc/79/51/21/673795121.db2.gz AZZOPGQXQQNHFK-MRXNPFEDSA-N 0 3 350.846 2.436 20 30 FEEDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000601421620 673859793 /nfs/dbraw/zinc/85/97/93/673859793.db2.gz IILROSIEZQAXFF-ZWNOBZJWSA-N 0 3 361.389 2.290 20 30 FEEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000747109649 673907219 /nfs/dbraw/zinc/90/72/19/673907219.db2.gz ZFZYJDNYUFHCTG-LBPRGKRZSA-N 0 3 358.375 2.489 20 30 FEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000747203996 673912375 /nfs/dbraw/zinc/91/23/75/673912375.db2.gz GHXXPTRXUHMXMT-BBRMVZONSA-N 0 3 364.467 2.213 20 30 FEEDHN CN(CCC#N)C[C@H](O)CNC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000567680233 675311921 /nfs/dbraw/zinc/31/19/21/675311921.db2.gz UGDWSPQSWAVDDR-APWZRJJASA-N 0 3 364.921 2.273 20 30 FEEDHN CN(C)C[C@@H](NC(=O)NC1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000619817548 676396201 /nfs/dbraw/zinc/39/62/01/676396201.db2.gz CTZFYBLQUQELGQ-QGZVFWFLSA-N 0 3 363.893 2.230 20 30 FEEDHN C=CCOc1c(Cl)cc(CNCCC(=O)N2CCOCC2)cc1OC ZINC000623365982 676531101 /nfs/dbraw/zinc/53/11/01/676531101.db2.gz MKWTYHBGLAGJKQ-UHFFFAOYSA-N 0 3 368.861 2.252 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000838623203 680706814 /nfs/dbraw/zinc/70/68/14/680706814.db2.gz UYODEWNIHQPTCR-BLLLJJGKSA-N 0 3 355.841 2.155 20 30 FEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001020254125 680103726 /nfs/dbraw/zinc/10/37/26/680103726.db2.gz VCVDWDKBVIZYLB-QBPKDAKJSA-N 0 3 350.846 2.132 20 30 FEEDHN C[C@H](O)CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(F)F ZINC000832203908 680110107 /nfs/dbraw/zinc/11/01/07/680110107.db2.gz CZZXKDJZAZVFHH-WDEREUQCSA-N 0 3 353.394 2.420 20 30 FEEDHN C=CCNC(=O)CN1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832250033 680115966 /nfs/dbraw/zinc/11/59/66/680115966.db2.gz DKJWCKHBIVSDKN-HZPDHXFCSA-N 0 3 351.491 2.258 20 30 FEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC000998914646 680391485 /nfs/dbraw/zinc/39/14/85/680391485.db2.gz BRDIJOXCJNUHBT-OPQOLIRYSA-N 0 3 364.873 2.475 20 30 FEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC000999540288 680405631 /nfs/dbraw/zinc/40/56/31/680405631.db2.gz UMZRGBJTQTVROQ-WUCCLRPBSA-N 0 3 357.292 2.455 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC(NCc2cc(OC)ns2)C1 ZINC000999540438 680405730 /nfs/dbraw/zinc/40/57/30/680405730.db2.gz VSNQSPKVXKRSSC-ITMHDFIRSA-N 0 3 365.499 2.212 20 30 FEEDHN C[C@]1(C(N)=O)CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000755253431 680406921 /nfs/dbraw/zinc/40/69/21/680406921.db2.gz TXLFNTGHOHUROF-KPZWWZAWSA-N 0 3 356.451 2.202 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1cc(Br)ccc1F ZINC000836255341 680441854 /nfs/dbraw/zinc/44/18/54/680441854.db2.gz HPRHEQZAMMGRDQ-UHFFFAOYSA-N 0 3 370.266 2.385 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CCN(Cc3scnc3C)C2)C1 ZINC001041696821 680508773 /nfs/dbraw/zinc/50/87/73/680508773.db2.gz WLLQLWYODSXPRP-JTDSTZFVSA-N 0 3 361.511 2.467 20 30 FEEDHN C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)C1 ZINC001046030671 680643102 /nfs/dbraw/zinc/64/31/02/680643102.db2.gz XOLVMJJZICDLIJ-RCCFBDPRSA-N 0 3 357.523 2.012 20 30 FEEDHN C[C@@H](C[C@@H](O)c1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843087200 680986790 /nfs/dbraw/zinc/98/67/90/680986790.db2.gz JINZKEKBTZAURH-HNAYVOBHSA-N 0 3 358.463 2.434 20 30 FEEDHN C[C@@H](C[C@@H](O)c1cccs1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843108125 680988069 /nfs/dbraw/zinc/98/80/69/680988069.db2.gz RROUSJWMVNHXHK-XJKSGUPXSA-N 0 3 364.492 2.495 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(CCn2cc(Cl)cn2)CC1 ZINC001052721338 681084007 /nfs/dbraw/zinc/08/40/07/681084007.db2.gz CUJQKUYOEMMRKQ-ZACQAIPSSA-N 0 3 366.893 2.098 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(CCn2cc(Cl)cn2)CC1 ZINC001052721335 681084108 /nfs/dbraw/zinc/08/41/08/681084108.db2.gz CUJQKUYOEMMRKQ-BBWFWOEESA-N 0 3 366.893 2.098 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC(CC)CC)C2)O1 ZINC001053663704 681102847 /nfs/dbraw/zinc/10/28/47/681102847.db2.gz ZHWNHNKTIMPISI-KSZLIROESA-N 0 3 350.503 2.363 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000845220742 681111663 /nfs/dbraw/zinc/11/16/63/681111663.db2.gz NESRFHBGZLSUME-IBGZPJMESA-N 0 3 363.889 2.288 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000845940922 681163775 /nfs/dbraw/zinc/16/37/75/681163775.db2.gz ZOKIHRYKTUZULW-UHFFFAOYSA-N 0 3 355.312 2.429 20 30 FEEDHN COCCCn1cnnc1SCC(=O)C(C#N)c1nc(C)cs1 ZINC000912735047 685428638 /nfs/dbraw/zinc/42/86/38/685428638.db2.gz URELSZBTYNJOIP-NSHDSACASA-N 0 3 351.457 2.048 20 30 FEEDHN CNC(=O)CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943214 681332060 /nfs/dbraw/zinc/33/20/60/681332060.db2.gz JGXDOTBNIXEDCZ-RNFRBKRXSA-N 0 3 354.241 2.225 20 30 FEEDHN COc1cc(OC)cc(C(=O)NCC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000915100179 685512208 /nfs/dbraw/zinc/51/22/08/685512208.db2.gz LYGVGCNKKGKSOO-CQSZACIVSA-N 0 3 359.407 2.075 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000916891921 685528476 /nfs/dbraw/zinc/52/84/76/685528476.db2.gz YAXWAMQAHUKPRE-LBPRGKRZSA-N 0 3 360.357 2.269 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000917098012 685529661 /nfs/dbraw/zinc/52/96/61/685529661.db2.gz QDHPVCLOHOTNBH-KRWDZBQOSA-N 0 3 351.491 2.054 20 30 FEEDHN CC(=O)N[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917135538 685529942 /nfs/dbraw/zinc/52/99/42/685529942.db2.gz FOOCCKXIYDXJAH-KBPBESRZSA-N 0 3 356.451 2.073 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786181612 682357568 /nfs/dbraw/zinc/35/75/68/682357568.db2.gz IBEIHIUIJAHPRD-ZBFHGGJFSA-N 0 3 351.491 2.399 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000786928112 682419847 /nfs/dbraw/zinc/41/98/47/682419847.db2.gz BFHHPMKDDUWHQV-UMNHJUIQSA-N 0 3 365.792 2.418 20 30 FEEDHN COC(=O)[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1C ZINC000787327240 682450969 /nfs/dbraw/zinc/45/09/69/682450969.db2.gz ZGMZTLBCYSHSFV-YNEHKIRRSA-N 0 3 357.435 2.356 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC000796740662 683191759 /nfs/dbraw/zinc/19/17/59/683191759.db2.gz MKMKSSGHRXITKZ-DXCKQFNASA-N 0 3 364.467 2.250 20 30 FEEDHN C=CCN1CC[C@H](N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)C1=O ZINC000799121613 683424276 /nfs/dbraw/zinc/42/42/76/683424276.db2.gz HXMNNSXDCBTFMH-HOCLYGCPSA-N 0 3 351.491 2.399 20 30 FEEDHN C=CCN1CC[C@@H](N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000799358877 683448199 /nfs/dbraw/zinc/44/81/99/683448199.db2.gz OGAFAKJKMJXFBT-JKSUJKDBSA-N 0 3 351.491 2.400 20 30 FEEDHN C=CCN1CC[C@@H](N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000799358876 683448405 /nfs/dbraw/zinc/44/84/05/683448405.db2.gz OGAFAKJKMJXFBT-HZPDHXFCSA-N 0 3 351.491 2.400 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000861837328 683483679 /nfs/dbraw/zinc/48/36/79/683483679.db2.gz AKZQHCAQDCEXAN-HYVNUMGLSA-N 0 3 361.283 2.406 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CNC[C@H](O)c1c(F)cccc1Cl ZINC000863564049 683742676 /nfs/dbraw/zinc/74/26/76/683742676.db2.gz SPMPABODWSRYLC-CJNGLKHVSA-N 0 3 364.804 2.414 20 30 FEEDHN COC[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(Br)c1 ZINC000868024098 684440462 /nfs/dbraw/zinc/44/04/62/684440462.db2.gz HBKMNVCYPMVSKQ-ZIAGYGMSSA-N 0 3 354.248 2.274 20 30 FEEDHN COC[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(Br)c1 ZINC000868024096 684440666 /nfs/dbraw/zinc/44/06/66/684440666.db2.gz HBKMNVCYPMVSKQ-KGLIPLIRSA-N 0 3 354.248 2.274 20 30 FEEDHN C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)CCCCC#N)C2 ZINC000872598075 684985330 /nfs/dbraw/zinc/98/53/30/684985330.db2.gz XTQVNEKINKBMTH-RBUKOAKNSA-N 0 3 361.511 2.464 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876620638 686229632 /nfs/dbraw/zinc/22/96/32/686229632.db2.gz NYWJYPTUFLRXDT-YPMHNXCESA-N 0 3 366.767 2.031 20 30 FEEDHN CN(C)[C@@H](CNC(=O)[C@H]1NCCc2cc(C#N)ccc21)c1cccs1 ZINC000876710155 686249750 /nfs/dbraw/zinc/24/97/50/686249750.db2.gz FLAHNLONRGIJOU-WMZOPIPTSA-N 0 3 354.479 2.226 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000876714633 686251323 /nfs/dbraw/zinc/25/13/23/686251323.db2.gz AUURZCUABBBQHD-HNNXBMFYSA-N 0 3 360.845 2.480 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000876945830 686299106 /nfs/dbraw/zinc/29/91/06/686299106.db2.gz JXWBYJMNXQXSGT-SWHYSGLUSA-N 0 3 352.866 2.444 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877194329 686338633 /nfs/dbraw/zinc/33/86/33/686338633.db2.gz IGGFKHVZEUIGAP-UONOGXRCSA-N 0 3 358.504 2.013 20 30 FEEDHN CN1CCN(C2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000877981528 686494052 /nfs/dbraw/zinc/49/40/52/686494052.db2.gz XMJWBMAJIACBOQ-UHFFFAOYSA-N 0 3 361.877 2.455 20 30 FEEDHN C#CC[C@@H](CO)NCc1cc(Br)cc(Br)c1N ZINC000883125260 687572722 /nfs/dbraw/zinc/57/27/22/687572722.db2.gz DGZPVFYWYIIMFY-JTQLQIEISA-N 0 3 362.065 2.268 20 30 FEEDHN C[C@H](NCC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000883299884 687602699 /nfs/dbraw/zinc/60/26/99/687602699.db2.gz IDMBOFWHGRUWCJ-AWEZNQCLSA-N 0 3 365.499 2.490 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)CC2CC2)nc1C ZINC000884067184 687782271 /nfs/dbraw/zinc/78/22/71/687782271.db2.gz XLGBDQGSMRRBLM-JTQLQIEISA-N 0 3 364.500 2.251 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCc1ccc(Br)cc1)C2 ZINC000884070930 687783130 /nfs/dbraw/zinc/78/31/30/687783130.db2.gz CLFQKAPRFMBZCW-UUCFBXCCSA-N 0 3 362.271 2.247 20 30 FEEDHN C#CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C1CCN(C)CC1 ZINC000886575919 688278854 /nfs/dbraw/zinc/27/88/54/688278854.db2.gz OYRBTRZBRNDCIL-UHFFFAOYSA-N 0 3 350.344 2.142 20 30 FEEDHN C#CCN(C(=O)C[C@@H](c1nccn1C)C(F)(F)F)C1CCN(C)CC1 ZINC000886576135 688278976 /nfs/dbraw/zinc/27/89/76/688278976.db2.gz YBOBEZGDWLVCLK-AWEZNQCLSA-N 0 3 356.392 2.012 20 30 FEEDHN C#CCN(C(=O)c1nc(F)ccc1Br)C1CCN(C)CC1 ZINC000886575836 688279034 /nfs/dbraw/zinc/27/90/34/688279034.db2.gz MKDXYNUEEBGYTJ-UHFFFAOYSA-N 0 3 354.223 2.153 20 30 FEEDHN COC[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCOC1 ZINC000886910124 688339351 /nfs/dbraw/zinc/33/93/51/688339351.db2.gz LRJAKDUCEUENFQ-CZUORRHYSA-N 0 3 351.834 2.181 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(Cc3csc(C#N)c3)CC2)CC1 ZINC000891949467 689130163 /nfs/dbraw/zinc/13/01/63/689130163.db2.gz SFRFPFMMNYGNKY-UHFFFAOYSA-N 0 3 360.527 2.386 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ncc(Br)cn2)CC1 ZINC000892851224 689253663 /nfs/dbraw/zinc/25/36/63/689253663.db2.gz FGDFXSLKOFMAOG-UHFFFAOYSA-N 0 3 368.279 2.079 20 30 FEEDHN C[C@]1(Br)C[C@H]1CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000894005540 689447622 /nfs/dbraw/zinc/44/76/22/689447622.db2.gz KSUOIQOIIVRERK-UXLLHSPISA-N 0 3 362.271 2.422 20 30 FEEDHN N#Cc1ncc(Br)cc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896524402 689885102 /nfs/dbraw/zinc/88/51/02/689885102.db2.gz USRLPRWCBGJAOD-ZDUSSCGKSA-N 0 3 351.248 2.381 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2nc3c(s2)CCC3)cc1 ZINC000905569355 691143617 /nfs/dbraw/zinc/14/36/17/691143617.db2.gz RLKFHNJGDSSHOI-UHFFFAOYSA-N 0 3 361.492 2.109 20 30 FEEDHN C[C@H](NC(C)(C)CNS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000906911579 691342201 /nfs/dbraw/zinc/34/22/01/691342201.db2.gz JIPQJFUZLLKIAL-AWEZNQCLSA-N 0 3 358.467 2.361 20 30 FEEDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000906932339 691347457 /nfs/dbraw/zinc/34/74/57/691347457.db2.gz XCAYZWCMFUABKW-LBPRGKRZSA-N 0 3 372.288 2.035 20 30 FEEDHN N#Cc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164870872 721054282 /nfs/dbraw/zinc/05/42/82/721054282.db2.gz WZIHLMPZWWJYTI-HZPDHXFCSA-N 0 3 369.856 2.481 20 30 FEEDHN Cc1nc(C#N)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912097 721548342 /nfs/dbraw/zinc/54/83/42/721548342.db2.gz YRRJPMHAWFGNQU-FUHWJXTLSA-N 0 3 353.401 2.138 20 30 FEEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CNc1ccc(C#N)cn1 ZINC000497857874 887223587 /nfs/dbraw/zinc/22/35/87/887223587.db2.gz HIAAIEOMLYOZGU-UHFFFAOYSA-N 0 3 373.407 2.234 20 30 FEEDHN N#Cc1ccc(CN2CCCN(CCC(=O)N3CCCCC3)CC2)cc1 ZINC000025934078 539772696 /nfs/dbraw/zinc/77/26/96/539772696.db2.gz XXHRBDKMMAZHQH-UHFFFAOYSA-N 0 3 354.498 2.469 20 30 FEEDHN N#Cc1cccc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000029157198 539844645 /nfs/dbraw/zinc/84/46/45/539844645.db2.gz HDNRIUKKBUNSKP-UHFFFAOYSA-N 0 3 362.477 2.496 20 30 FEEDHN COC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532477 539884469 /nfs/dbraw/zinc/88/44/69/539884469.db2.gz ILWCHXDVNZECDF-RDTXWAMCSA-N 0 3 354.406 2.435 20 30 FEEDHN N#CC(C(=O)c1cccc(OCC(N)=O)c1)c1ccc(C(F)(F)F)cn1 ZINC000041552730 540024706 /nfs/dbraw/zinc/02/47/06/540024706.db2.gz UDOSNBYKSXBDIX-CYBMUJFWSA-N 0 3 363.295 2.455 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000042019822 540046071 /nfs/dbraw/zinc/04/60/71/540046071.db2.gz DKFLCCRJHYZLCE-AWEZNQCLSA-N 0 3 350.422 2.436 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000042393349 540062573 /nfs/dbraw/zinc/06/25/73/540062573.db2.gz VVZZZWRPHMDHSR-RBUKOAKNSA-N 0 3 361.530 2.450 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(OCC(N)=O)cc1)C(C)C ZINC000045697801 540222236 /nfs/dbraw/zinc/22/22/36/540222236.db2.gz WMVPHSOPTPIMQT-SFHVURJKSA-N 0 3 374.485 2.371 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000047214171 540296868 /nfs/dbraw/zinc/29/68/68/540296868.db2.gz IZORJRBOPAHVCC-UHFFFAOYSA-N 0 3 372.513 2.424 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000048622562 540368109 /nfs/dbraw/zinc/36/81/09/540368109.db2.gz ZERZSDXZCGHZMK-UHFFFAOYSA-N 0 3 361.445 2.387 20 30 FEEDHN CCC(=O)N1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000055388328 540650191 /nfs/dbraw/zinc/65/01/91/540650191.db2.gz MJASZSWKEXOQFP-IBGZPJMESA-N 0 3 370.497 2.097 20 30 FEEDHN C[C@@H]1CCCCN1Cc1ccccc1CNS(=O)(=O)N(C)CCC#N ZINC000056064618 540698855 /nfs/dbraw/zinc/69/88/55/540698855.db2.gz YEUYABWIZWHSPR-MRXNPFEDSA-N 0 3 364.515 2.241 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 ZINC000057174377 540776101 /nfs/dbraw/zinc/77/61/01/540776101.db2.gz MBYIJVLYPOIEJU-INIZCTEOSA-N 0 3 355.482 2.176 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)N1CCC(C)CC1 ZINC000065601856 541247727 /nfs/dbraw/zinc/24/77/27/541247727.db2.gz LEQMYSOOIRSWDT-ZDUSSCGKSA-N 0 3 362.861 2.387 20 30 FEEDHN CN(C)[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 ZINC000066239667 541293847 /nfs/dbraw/zinc/29/38/47/541293847.db2.gz YGLALBJECONHEA-LJQANCHMSA-N 0 3 374.448 2.359 20 30 FEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000066561893 541335741 /nfs/dbraw/zinc/33/57/41/541335741.db2.gz VIOKMERERRAKSV-HOTGVXAUSA-N 0 3 356.470 2.070 20 30 FEEDHN N#Cc1cccnc1N1CCCN(C[C@H](O)COCc2cccs2)CC1 ZINC000067460061 541467281 /nfs/dbraw/zinc/46/72/81/541467281.db2.gz SNLWKWVAJXUGFB-KRWDZBQOSA-N 0 3 372.494 2.105 20 30 FEEDHN C[C@@H](OC[C@H]1CCCCO1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068309998 541575283 /nfs/dbraw/zinc/57/52/83/541575283.db2.gz NBACVUQRIWSKCG-YLJYHZDGSA-N 0 3 373.497 2.423 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000071008672 541757636 /nfs/dbraw/zinc/75/76/36/541757636.db2.gz QPCFWOBAXYWVDQ-MRXNPFEDSA-N 0 3 372.469 2.298 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000071009738 541758532 /nfs/dbraw/zinc/75/85/32/541758532.db2.gz XCGLWBMHWVFAIC-INIZCTEOSA-N 0 3 372.469 2.156 20 30 FEEDHN C=CCN1CCC(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000073436508 541954135 /nfs/dbraw/zinc/95/41/35/541954135.db2.gz MDBVCUZLHXERJA-UHFFFAOYSA-N 0 3 370.541 2.274 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCSCC[C@@H]1C)C(C)C ZINC000551221449 674132378 /nfs/dbraw/zinc/13/23/78/674132378.db2.gz IUJDSAPFHGMYOL-IRXDYDNUSA-N 0 3 367.559 2.155 20 30 FEEDHN C#CCN1CCC(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000074448028 542085470 /nfs/dbraw/zinc/08/54/70/542085470.db2.gz IHAPKZUWNCYXKC-NRFANRHFSA-N 0 3 353.510 2.455 20 30 FEEDHN C#CCN1CCC(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000074448024 542085712 /nfs/dbraw/zinc/08/57/12/542085712.db2.gz IHAPKZUWNCYXKC-OAQYLSRUSA-N 0 3 353.510 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3cc(F)ccc3F)CC2)CC1 ZINC000078331652 542455687 /nfs/dbraw/zinc/45/56/87/542455687.db2.gz IOVMCNJJGWNVSD-UHFFFAOYSA-N 0 3 364.440 2.447 20 30 FEEDHN C[C@H](C#N)OCCN(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000801946947 674156378 /nfs/dbraw/zinc/15/63/78/674156378.db2.gz QTECGYNMMVRKIY-CABCVRRESA-N 0 3 351.472 2.148 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000080446210 542590073 /nfs/dbraw/zinc/59/00/73/542590073.db2.gz JZJHPBDLKOTWSS-SFHVURJKSA-N 0 3 369.513 2.139 20 30 FEEDHN C=C(C)CN(CC)C(=O)CN(C)C1CCN(CCc2ccccn2)CC1 ZINC000081006009 542623239 /nfs/dbraw/zinc/62/32/39/542623239.db2.gz JPSVCNZGHMAYPE-UHFFFAOYSA-N 0 3 358.530 2.445 20 30 FEEDHN CN(CC(=O)NC1(C#N)CCCCC1)C1CCN(c2ccccn2)CC1 ZINC000080983686 542622086 /nfs/dbraw/zinc/62/20/86/542622086.db2.gz OROZBZILASBGGG-UHFFFAOYSA-N 0 3 355.486 2.325 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc(C#N)cn3C)CC2)C[C@H](C)O1 ZINC000081808713 542678074 /nfs/dbraw/zinc/67/80/74/542678074.db2.gz DKYCGZRJWPYVQP-IYBDPMFKSA-N 0 3 358.486 2.248 20 30 FEEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000090116552 542782772 /nfs/dbraw/zinc/78/27/72/542782772.db2.gz KCPJRBZZFBWWMM-QAPCUYQASA-N 0 3 352.438 2.278 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000090561690 542785989 /nfs/dbraw/zinc/78/59/89/542785989.db2.gz MBULAUYKVYBIIQ-LJQANCHMSA-N 0 3 370.497 2.127 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3nn(C(C)C)cc3c2)CC1 ZINC000091240307 542801121 /nfs/dbraw/zinc/80/11/21/542801121.db2.gz JPZYWUGMADBLBZ-UHFFFAOYSA-N 0 3 369.469 2.322 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000091581409 542813418 /nfs/dbraw/zinc/81/34/18/542813418.db2.gz ISJMWIRWMQGQQA-RTWAWAEBSA-N 0 3 368.525 2.243 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329170 542927373 /nfs/dbraw/zinc/92/73/73/542927373.db2.gz QMQQIFRYJYLJIY-CQSZACIVSA-N 0 3 370.375 2.316 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000093277610 542922547 /nfs/dbraw/zinc/92/25/47/542922547.db2.gz ZMSPVLVCIDXRBD-UHFFFAOYSA-N 0 3 362.433 2.034 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000094033641 542948524 /nfs/dbraw/zinc/94/85/24/542948524.db2.gz CATFDFQQRBXUNZ-KRWDZBQOSA-N 0 3 372.517 2.033 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1nc2nc(C)cc(C)n2n1)C(C)C ZINC000101684357 543040937 /nfs/dbraw/zinc/04/09/37/543040937.db2.gz BIMDKWNLMVKBGP-KRWDZBQOSA-N 0 3 370.501 2.098 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CCN(C)C)CC(C)C ZINC000104529210 543133987 /nfs/dbraw/zinc/13/39/87/543133987.db2.gz ZDGWEUOOPILORA-UHFFFAOYSA-N 0 3 370.501 2.197 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)ccc2-n2cnnn2)CC1 ZINC000106036584 543186160 /nfs/dbraw/zinc/18/61/60/543186160.db2.gz LHPNGYROPZDNAB-UHFFFAOYSA-N 0 3 360.849 2.086 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CN2c3ccccc3SCC2=O)CC1 ZINC000106039099 543186783 /nfs/dbraw/zinc/18/67/83/543186783.db2.gz QCMDGUGTGXFMGP-UHFFFAOYSA-N 0 3 359.495 2.282 20 30 FEEDHN COCCN1CCC(NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000110663635 543364801 /nfs/dbraw/zinc/36/48/01/543364801.db2.gz ILVCSQVFQQREKE-UHFFFAOYSA-N 0 3 359.470 2.334 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1)C(C)C ZINC000120274424 543677911 /nfs/dbraw/zinc/67/79/11/543677911.db2.gz FCGXYBZLGGOIHM-HNNXBMFYSA-N 0 3 364.877 2.488 20 30 FEEDHN C=CCCS(=O)(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000120602515 543682396 /nfs/dbraw/zinc/68/23/96/543682396.db2.gz JGGHDBNTARQLFL-MRXNPFEDSA-N 0 3 352.500 2.382 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cccnc1 ZINC000122842305 543726816 /nfs/dbraw/zinc/72/68/16/543726816.db2.gz APHCRLNXQKJOAN-UHFFFAOYSA-N 0 3 351.454 2.269 20 30 FEEDHN N#Cc1ccc2ncc(CNCCNC(=O)c3c(F)cccc3F)n2c1 ZINC000123746314 543780404 /nfs/dbraw/zinc/78/04/04/543780404.db2.gz UJBNHOKTEAGOAL-UHFFFAOYSA-N 0 3 355.348 2.004 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000123524012 543767244 /nfs/dbraw/zinc/76/72/44/543767244.db2.gz FPOYZHHSLDVNDK-INIZCTEOSA-N 0 3 358.482 2.344 20 30 FEEDHN CN(C(=O)CN1CCC[C@H](Cc2nccn2C)C1)C1(C#N)CCCCC1 ZINC000123578242 543770342 /nfs/dbraw/zinc/77/03/42/543770342.db2.gz UQWZAAIWCFBINM-QGZVFWFLSA-N 0 3 357.502 2.359 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)CN1C1CC1 ZINC000127325503 543986383 /nfs/dbraw/zinc/98/63/83/543986383.db2.gz DLOZLQIMTZKOLA-NVXWUHKLSA-N 0 3 353.470 2.015 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000131842730 544209291 /nfs/dbraw/zinc/20/92/91/544209291.db2.gz JMFQXTLVZACYTO-UHFFFAOYSA-N 0 3 357.458 2.035 20 30 FEEDHN CN1CCN(Cc2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])cc2)CC1 ZINC000133148710 544257890 /nfs/dbraw/zinc/25/78/90/544257890.db2.gz NASATLDMZZORAJ-UHFFFAOYSA-N 0 3 366.425 2.221 20 30 FEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000133995474 544290761 /nfs/dbraw/zinc/29/07/61/544290761.db2.gz KDCWMYPTKYTXQS-MRXNPFEDSA-N 0 3 372.469 2.108 20 30 FEEDHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136325692 544371463 /nfs/dbraw/zinc/37/14/63/544371463.db2.gz BCZKMGNQXUOXDH-OAHLLOKOSA-N 0 3 360.433 2.407 20 30 FEEDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000152833062 544701204 /nfs/dbraw/zinc/70/12/04/544701204.db2.gz IEUQHMUHGYWBMF-HXUWFJFHSA-N 0 3 352.438 2.344 20 30 FEEDHN C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153267667 544753748 /nfs/dbraw/zinc/75/37/48/544753748.db2.gz WNQRDVAWHWAXRU-KGLIPLIRSA-N 0 3 366.469 2.094 20 30 FEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)CNc1ccc(C#N)cc1 ZINC000153591716 544794800 /nfs/dbraw/zinc/79/48/00/544794800.db2.gz MABHMCSVZJJFTQ-UHFFFAOYSA-N 0 3 352.438 2.266 20 30 FEEDHN C#CCN1CCC(C(=O)N(C)CC2CCN(c3ccncc3)CC2)CC1 ZINC000154383139 544898644 /nfs/dbraw/zinc/89/86/44/544898644.db2.gz SLYJWRYWXMSDQL-UHFFFAOYSA-N 0 3 354.498 2.102 20 30 FEEDHN CN(C)CCn1nnnc1SCc1ccc(Br)cc1C#N ZINC000553704238 674280361 /nfs/dbraw/zinc/28/03/61/674280361.db2.gz NHWPZYUAYPZSEC-UHFFFAOYSA-N 0 3 367.276 2.161 20 30 FEEDHN Cn1cc(CNCCNC(=O)c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180144005 327673244 /nfs/dbraw/zinc/67/32/44/327673244.db2.gz PPJKWROHQRTLSB-UHFFFAOYSA-N 0 3 359.433 2.478 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1sccc1C#N ZINC000188150956 328069750 /nfs/dbraw/zinc/06/97/50/328069750.db2.gz LOGQVZIGYSUAOH-IBGZPJMESA-N 0 3 355.463 2.329 20 30 FEEDHN CCN(C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188751560 328108693 /nfs/dbraw/zinc/10/86/93/328108693.db2.gz QLMHSYWTWBXUTD-UHFFFAOYSA-N 0 3 366.421 2.357 20 30 FEEDHN Cn1cc(CNC[C@H](O)COc2ccccc2Br)cc1C#N ZINC000191350679 328261479 /nfs/dbraw/zinc/26/14/79/328261479.db2.gz OJZXYIAVQLVNFS-AWEZNQCLSA-N 0 3 364.243 2.189 20 30 FEEDHN N#Cc1cc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)ccn1 ZINC000193242361 328364604 /nfs/dbraw/zinc/36/46/04/328364604.db2.gz LRGQTZOONUEHMZ-UHFFFAOYSA-N 0 3 363.421 2.031 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000193374760 328371380 /nfs/dbraw/zinc/37/13/80/328371380.db2.gz TXUKGWLYJJWWSL-MRXNPFEDSA-N 0 3 371.485 2.140 20 30 FEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000062593744 324860134 /nfs/dbraw/zinc/86/01/34/324860134.db2.gz WPMSKDKHLHIGID-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1cccnc1C#N ZINC000553894833 674292898 /nfs/dbraw/zinc/29/28/98/674292898.db2.gz GOIKEKWLPWTUSC-UHFFFAOYSA-N 0 3 350.488 2.228 20 30 FEEDHN Cc1nc(C(=O)NCc2ccccc2CN2CCC(O)CC2)ccc1C#N ZINC000081768061 325197019 /nfs/dbraw/zinc/19/70/19/325197019.db2.gz QFDRGVVAZCRCDR-UHFFFAOYSA-N 0 3 364.449 2.148 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000081995866 325206158 /nfs/dbraw/zinc/20/61/58/325206158.db2.gz MZUJGQARZYECFY-INIZCTEOSA-N 0 3 359.470 2.331 20 30 FEEDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000083537927 325218678 /nfs/dbraw/zinc/21/86/78/325218678.db2.gz DCBCCNVIVZLDNV-GFCCVEGCSA-N 0 3 361.389 2.292 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)nnn2C ZINC000103759437 325527014 /nfs/dbraw/zinc/52/70/14/325527014.db2.gz DFCDYQZNHUIOJD-UHFFFAOYSA-N 0 3 362.437 2.044 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000116447803 326015740 /nfs/dbraw/zinc/01/57/40/326015740.db2.gz URIUVWJAOKSSJR-AZUAARDMSA-N 0 3 373.497 2.171 20 30 FEEDHN CC(C)CN1CCC[C@@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000120183384 326238815 /nfs/dbraw/zinc/23/88/15/326238815.db2.gz FZNMMMICVXJRDN-AWEZNQCLSA-N 0 3 353.463 2.344 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1C#N ZINC000120713170 326281183 /nfs/dbraw/zinc/28/11/83/326281183.db2.gz PCPNCMPOSHLQDH-PBHICJAKSA-N 0 3 372.469 2.225 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2C(=O)NC2CC2)cc1Cl ZINC000121370652 326333233 /nfs/dbraw/zinc/33/32/33/326333233.db2.gz UFJZLSQMJUQPSZ-MRXNPFEDSA-N 0 3 360.845 2.283 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000121463898 326340564 /nfs/dbraw/zinc/34/05/64/326340564.db2.gz NTHHIKFOKZNVHQ-KRWDZBQOSA-N 0 3 370.432 2.063 20 30 FEEDHN CN(C)CCOc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1 ZINC000125360172 326470299 /nfs/dbraw/zinc/47/02/99/326470299.db2.gz GOSIZXDLYOROCU-UHFFFAOYSA-N 0 3 370.384 2.215 20 30 FEEDHN C[C@H](CN1C[C@@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136057130 326649609 /nfs/dbraw/zinc/64/96/09/326649609.db2.gz KHNQISBEWZDOAX-MELADBBJSA-N 0 3 360.433 2.118 20 30 FEEDHN CCO[C@H]1C[C@@H](O)C12CCN(CCC(=O)Nc1ccccc1C#N)CC2 ZINC000152908110 326719356 /nfs/dbraw/zinc/71/93/56/326719356.db2.gz WTQMJVUCTUUXOZ-MSOLQXFVSA-N 0 3 357.454 2.139 20 30 FEEDHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(C#N)cc2)c1 ZINC000171394372 327136797 /nfs/dbraw/zinc/13/67/97/327136797.db2.gz BUPHEHACZASPQI-UHFFFAOYSA-N 0 3 364.449 2.396 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1C#N ZINC000173277561 327246310 /nfs/dbraw/zinc/24/63/10/327246310.db2.gz WUACQIWPFZXUEB-CVEARBPZSA-N 0 3 354.454 2.279 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NC[C@H](C2CCCCC2)N(C)C)c1C#N ZINC000174631942 327339945 /nfs/dbraw/zinc/33/99/45/327339945.db2.gz BJSOSPDNWOYCMG-GOSISDBHSA-N 0 3 356.470 2.432 20 30 FEEDHN C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000249406073 328768338 /nfs/dbraw/zinc/76/83/38/328768338.db2.gz WOKJUIIQLMDBKG-SUHUHFCYSA-N 0 3 360.483 2.069 20 30 FEEDHN CC(C)CCC(=O)NCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000264707929 329051469 /nfs/dbraw/zinc/05/14/69/329051469.db2.gz VMZQVKRJKYSKPI-UHFFFAOYSA-N 0 3 358.486 2.001 20 30 FEEDHN N#Cc1c[nH]c(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1 ZINC000267862577 329363931 /nfs/dbraw/zinc/36/39/31/329363931.db2.gz HMDSRXGLGSOGKU-UHFFFAOYSA-N 0 3 356.401 2.299 20 30 FEEDHN CC(C)[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)N(C)C ZINC000269155189 329491436 /nfs/dbraw/zinc/49/14/36/329491436.db2.gz RUGJKQJLPBGAIF-SFHVURJKSA-N 0 3 356.470 2.322 20 30 FEEDHN CS[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1N1CCCC1 ZINC000274190949 329924506 /nfs/dbraw/zinc/92/45/06/329924506.db2.gz LOXTVXHZLSYCMP-GJZGRUSLSA-N 0 3 351.422 2.488 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000367178638 330226423 /nfs/dbraw/zinc/22/64/23/330226423.db2.gz ACBWPDVNULCJJA-HNNXBMFYSA-N 0 3 361.492 2.420 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000367186830 330227607 /nfs/dbraw/zinc/22/76/07/330227607.db2.gz PXLWMFNXMTUHGP-KSSFIOAISA-N 0 3 359.449 2.187 20 30 FEEDHN N#Cc1cc(Br)ccc1CN[C@@H](CC(N)=O)C1CCOCC1 ZINC000554272879 674310322 /nfs/dbraw/zinc/31/03/22/674310322.db2.gz WLLDMCGFCGBKMI-HNNXBMFYSA-N 0 3 366.259 2.081 20 30 FEEDHN N#CC(C(=O)c1ccc(C(=O)NC2CC2)cc1)c1nnc2n1CCCCC2 ZINC000156422485 545626582 /nfs/dbraw/zinc/62/65/82/545626582.db2.gz HOKLLZBDQOHILO-INIZCTEOSA-N 0 3 363.421 2.387 20 30 FEEDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157262112 545719843 /nfs/dbraw/zinc/71/98/43/545719843.db2.gz HKPOVSOFEWLLHV-UHFFFAOYSA-N 0 3 373.906 2.191 20 30 FEEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CC1 ZINC000165785984 546153038 /nfs/dbraw/zinc/15/30/38/546153038.db2.gz FLRCPENCNDSXAZ-SFHVURJKSA-N 0 3 361.511 2.464 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000171621107 546215691 /nfs/dbraw/zinc/21/56/91/546215691.db2.gz HBKGHMUAEWDGOR-UHFFFAOYSA-N 0 3 357.454 2.107 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)CC1 ZINC000171723412 546221450 /nfs/dbraw/zinc/22/14/50/546221450.db2.gz ZLIQTMHKPOBZPH-FQEVSTJZSA-N 0 3 355.482 2.289 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)CC1 ZINC000171726006 546222328 /nfs/dbraw/zinc/22/23/28/546222328.db2.gz ICICSDUXUIPMQR-UHFFFAOYSA-N 0 3 369.465 2.463 20 30 FEEDHN C#CCN1CCC(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000173510751 546282868 /nfs/dbraw/zinc/28/28/68/546282868.db2.gz QHVMFCVQGHWGGU-IBGZPJMESA-N 0 3 353.510 2.455 20 30 FEEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174946279 546305369 /nfs/dbraw/zinc/30/53/69/546305369.db2.gz QWIUMHJYRRCPOE-FQEVSTJZSA-N 0 3 367.497 2.239 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC1 ZINC000175207955 546307003 /nfs/dbraw/zinc/30/70/03/546307003.db2.gz PUVVMGLGCUIBBD-UHFFFAOYSA-N 0 3 372.437 2.204 20 30 FEEDHN CC(C)(C#N)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000479816498 561197593 /nfs/dbraw/zinc/19/75/93/561197593.db2.gz OHHOJFOEFMQDSY-UHFFFAOYSA-N 0 3 357.502 2.043 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000480306669 561206915 /nfs/dbraw/zinc/20/69/15/561206915.db2.gz KSZMHZBIMMZXMN-AZUAARDMSA-N 0 3 361.482 2.425 20 30 FEEDHN N#CC1CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000176655608 546473017 /nfs/dbraw/zinc/47/30/17/546473017.db2.gz WEYABQWZQIISMK-UHFFFAOYSA-N 0 3 356.470 2.088 20 30 FEEDHN N#Cc1ccc2ncc(CNC[C@H](CO)Cc3ccc(F)c(F)c3)n2c1 ZINC000480475604 561210051 /nfs/dbraw/zinc/21/00/51/561210051.db2.gz XNCJYVIAULKOOX-OAHLLOKOSA-N 0 3 356.376 2.425 20 30 FEEDHN C=C(C)COc1cc(CN[C@@H](CC)C(=O)N2CCOCC2)ccc1OC ZINC000176805126 546490628 /nfs/dbraw/zinc/49/06/28/546490628.db2.gz LTTVBVDJRQOPEU-KRWDZBQOSA-N 0 3 362.470 2.377 20 30 FEEDHN CC(C)(C)OC(=O)N1CCN(CCNCc2ccc(C#N)s2)CC1 ZINC000176963038 546516141 /nfs/dbraw/zinc/51/61/41/546516141.db2.gz CVTIOFMJCGCRLQ-UHFFFAOYSA-N 0 3 350.488 2.262 20 30 FEEDHN C=CCN1CCC(NC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000178537714 546809655 /nfs/dbraw/zinc/80/96/55/546809655.db2.gz NMVMTFIRYDLFAM-UHFFFAOYSA-N 0 3 354.454 2.434 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC000178674579 546830764 /nfs/dbraw/zinc/83/07/64/546830764.db2.gz VJQDXHDTORZYHM-UHFFFAOYSA-N 0 3 359.396 2.231 20 30 FEEDHN O=C(NCCNCc1cc(F)cc(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000178790847 546849901 /nfs/dbraw/zinc/84/99/01/546849901.db2.gz SIXHNLVAUIOEKO-PFONDFGASA-N 0 3 357.307 2.461 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCNc2cc(OC)cc(OC)c2)CC1 ZINC000179033319 546889796 /nfs/dbraw/zinc/88/97/96/546889796.db2.gz LFVQQTTYKNYYOH-UHFFFAOYSA-N 0 3 362.474 2.065 20 30 FEEDHN COC(=O)C[C@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000179130803 546903666 /nfs/dbraw/zinc/90/36/66/546903666.db2.gz XWNGFERODXMJQK-GFCCVEGCSA-N 0 3 361.467 2.465 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)/C=C/c2ccccc2C#N)ccn1 ZINC000179474779 546960659 /nfs/dbraw/zinc/96/06/59/546960659.db2.gz VDECVHWZSJUELA-BQYQJAHWSA-N 0 3 350.422 2.223 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000180672926 547155374 /nfs/dbraw/zinc/15/53/74/547155374.db2.gz WDDZAELXPAWXEP-UHFFFAOYSA-N 0 3 353.850 2.253 20 30 FEEDHN COc1cnccc1N1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000483214555 561270749 /nfs/dbraw/zinc/27/07/49/561270749.db2.gz YDNAMEUPARECJG-UHFFFAOYSA-N 0 3 365.437 2.113 20 30 FEEDHN CNC(=O)C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000483427587 561276947 /nfs/dbraw/zinc/27/69/47/561276947.db2.gz SEEKCXCXNGOSES-OAHLLOKOSA-N 0 3 356.451 2.415 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC2CCOCC2)cc1 ZINC000483469482 561277833 /nfs/dbraw/zinc/27/78/33/561277833.db2.gz AISUAMVIJBRCLN-CYBMUJFWSA-N 0 3 365.455 2.263 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181744630 547372881 /nfs/dbraw/zinc/37/28/81/547372881.db2.gz XUTSDXJYKHOJLS-OAGGEKHMSA-N 0 3 372.469 2.153 20 30 FEEDHN CC1(C)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000182803163 547554284 /nfs/dbraw/zinc/55/42/84/547554284.db2.gz BGOXJCFUELFWDU-SFHVURJKSA-N 0 3 358.461 2.266 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182832673 547558558 /nfs/dbraw/zinc/55/85/58/547558558.db2.gz WLSRHKFUYFSSLX-UHFFFAOYSA-N 0 3 360.502 2.030 20 30 FEEDHN C=CCc1cc(CNC[C@](C)(O)C(=O)OC(C)(C)C)cc(OC)c1O ZINC000484754957 561305370 /nfs/dbraw/zinc/30/53/70/561305370.db2.gz SGCAEFSGZJSWDI-IBGZPJMESA-N 0 3 351.443 2.312 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000184340982 547809859 /nfs/dbraw/zinc/80/98/59/547809859.db2.gz BHNSHVJKTGFNKD-OAHLLOKOSA-N 0 3 359.474 2.125 20 30 FEEDHN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@H]1COc2ccccc21 ZINC000185582856 548005269 /nfs/dbraw/zinc/00/52/69/548005269.db2.gz ISDQJRPMEKMTST-RDTXWAMCSA-N 0 3 356.447 2.486 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000189404820 548302035 /nfs/dbraw/zinc/30/20/35/548302035.db2.gz XKPIHYRERAFUTI-UHFFFAOYSA-N 0 3 360.414 2.018 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)C3CCC3)cc2)CC1 ZINC000487801717 561376050 /nfs/dbraw/zinc/37/60/50/561376050.db2.gz MEGJZWKJSXICSX-UHFFFAOYSA-N 0 3 369.465 2.375 20 30 FEEDHN C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)N1CCC[C@H](C)C1 ZINC000245394448 548906118 /nfs/dbraw/zinc/90/61/18/548906118.db2.gz FQAJMPQLRLYNFH-LSDHHAIUSA-N 0 3 366.469 2.176 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H]1C ZINC000245858526 549005604 /nfs/dbraw/zinc/00/56/04/549005604.db2.gz HLLOZHPIVFFRJQ-IXDOHACOSA-N 0 3 360.527 2.435 20 30 FEEDHN COc1cccc(C[C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000488480718 561390578 /nfs/dbraw/zinc/39/05/78/561390578.db2.gz FIMMNBYHUYEEKU-KXBFYZLASA-N 0 3 364.449 2.284 20 30 FEEDHN CC(C)(CCC#N)CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000489141096 561404268 /nfs/dbraw/zinc/40/42/68/561404268.db2.gz RYGPMGTZAJCHSR-UHFFFAOYSA-N 0 3 372.517 2.223 20 30 FEEDHN C=CCCCS(=O)(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000489583063 561414715 /nfs/dbraw/zinc/41/47/15/561414715.db2.gz WTGJPRRQMKQGRJ-IAGOWNOFSA-N 0 3 358.548 2.494 20 30 FEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000250642491 549643743 /nfs/dbraw/zinc/64/37/43/549643743.db2.gz VRBBBTPSUOOSLS-STQMWFEESA-N 0 3 362.861 2.387 20 30 FEEDHN C=C[C@@H](CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000252801226 549678655 /nfs/dbraw/zinc/67/86/55/549678655.db2.gz ACFKMIJDHZVMLA-PKOBYXMFSA-N 0 3 355.482 2.111 20 30 FEEDHN Cc1ccc(CNC(=O)CON=C(N)c2ccc(CN(C)C)cc2)cc1F ZINC000267014843 550026831 /nfs/dbraw/zinc/02/68/31/550026831.db2.gz OFPBEARGPWVEKL-UHFFFAOYSA-N 0 3 372.444 2.149 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)CC1 ZINC000267334160 550030189 /nfs/dbraw/zinc/03/01/89/550030189.db2.gz BJRYIVDXYJQUOD-CQSZACIVSA-N 0 3 356.470 2.234 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(CCCSCC#N)CC1 ZINC000267382988 550030586 /nfs/dbraw/zinc/03/05/86/550030586.db2.gz MXEQFUVERJYBGU-UHFFFAOYSA-N 0 3 362.543 2.396 20 30 FEEDHN C=CCOc1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1OC ZINC000269170575 550163738 /nfs/dbraw/zinc/16/37/38/550163738.db2.gz UCHGVFWVGBHBQB-UHFFFAOYSA-N 0 3 368.437 2.317 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)CCc1ccccc1 ZINC000493073157 561454375 /nfs/dbraw/zinc/45/43/75/561454375.db2.gz XAJLLIAWYYWPEY-NRFANRHFSA-N 0 3 365.477 2.442 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](CC)[C@@H](O)c2c(F)cccc2F)CC1 ZINC000269606223 550209971 /nfs/dbraw/zinc/20/99/71/550209971.db2.gz VOUDWXWKLUZHMD-SJLPKXTDSA-N 0 3 350.409 2.238 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H]1CCC[C@]1(C)CO ZINC000493444544 561456148 /nfs/dbraw/zinc/45/61/48/561456148.db2.gz WDDWOIMDTKGDLV-ZAAXVRCTSA-N 0 3 359.470 2.471 20 30 FEEDHN C=C[C@@H](CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000270322855 550261756 /nfs/dbraw/zinc/26/17/56/550261756.db2.gz VFOQHZMTTYJBDS-HKUYNNGSSA-N 0 3 357.498 2.405 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000270852719 550313657 /nfs/dbraw/zinc/31/36/57/550313657.db2.gz MCJOXIJFUFOJTF-FPOVZHCZSA-N 0 3 363.461 2.480 20 30 FEEDHN C#CC[C@@H](NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000271658829 550393289 /nfs/dbraw/zinc/39/32/89/550393289.db2.gz CZJFRXLTQZQIGT-HXUWFJFHSA-N 0 3 362.477 2.475 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000494464344 561470259 /nfs/dbraw/zinc/47/02/59/561470259.db2.gz QKKJBYQKNIRKLH-UYAOXDASSA-N 0 3 357.454 2.489 20 30 FEEDHN C=CCN(Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)C1CC1 ZINC000273540493 550502229 /nfs/dbraw/zinc/50/22/29/550502229.db2.gz WXGGFMVBVJNYQN-UHFFFAOYSA-N 0 3 360.454 2.083 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)C(C)C ZINC000275453267 550572176 /nfs/dbraw/zinc/57/21/76/550572176.db2.gz GWMXMMZOHSURTL-GBESFXJTSA-N 0 3 360.502 2.313 20 30 FEEDHN CN(C)C1(CNC(=O)C(=O)Nc2ccccc2SCCC#N)CCC1 ZINC000275930398 550575200 /nfs/dbraw/zinc/57/52/00/550575200.db2.gz YCJWQLNNGZMEEA-UHFFFAOYSA-N 0 3 360.483 2.231 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276667511 550583358 /nfs/dbraw/zinc/58/33/58/550583358.db2.gz CSNULWNMOQQPGJ-UHFFFAOYSA-N 0 3 358.486 2.447 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000278573771 550800398 /nfs/dbraw/zinc/80/03/98/550800398.db2.gz JNMYPKHIVNLPTP-JSGCOSHPSA-N 0 3 351.428 2.015 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278658746 550808925 /nfs/dbraw/zinc/80/89/25/550808925.db2.gz NAOGVPADJMANMG-HZPDHXFCSA-N 0 3 356.470 2.070 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)NCCN(C)Cc2ccccc2)n1 ZINC000279401304 550886108 /nfs/dbraw/zinc/88/61/08/550886108.db2.gz HCMLUWZKTFNAHJ-UHFFFAOYSA-N 0 3 353.470 2.180 20 30 FEEDHN CN(C)CCNC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000279731221 550922518 /nfs/dbraw/zinc/92/25/18/550922518.db2.gz CIKXKSRVQXFBMH-UHFFFAOYSA-N 0 3 370.497 2.018 20 30 FEEDHN C[C@@H](N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000280238451 550973900 /nfs/dbraw/zinc/97/39/00/550973900.db2.gz BIKYSMUPCDBDRC-CZUORRHYSA-N 0 3 364.371 2.336 20 30 FEEDHN COC(=O)C1CCN(CCCNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280446353 550994896 /nfs/dbraw/zinc/99/48/96/550994896.db2.gz YNEQMDHEGMSSNH-UHFFFAOYSA-N 0 3 371.481 2.493 20 30 FEEDHN Cc1cnc(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)s1 ZINC000280814061 551034849 /nfs/dbraw/zinc/03/48/49/551034849.db2.gz HHPAOKYGJQNQSO-KRWDZBQOSA-N 0 3 365.462 2.354 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000281162851 551069723 /nfs/dbraw/zinc/06/97/23/551069723.db2.gz ZVFNKKJGEJZBOC-SXLOBPIMSA-N 0 3 373.497 2.034 20 30 FEEDHN COc1cc(CNCc2cccc(OCC(=O)N(C)C)c2)ccc1C#N ZINC000281626841 551122406 /nfs/dbraw/zinc/12/24/06/551122406.db2.gz HWQXMAYYJKLGKA-UHFFFAOYSA-N 0 3 353.422 2.324 20 30 FEEDHN CCC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CCOC ZINC000281644682 551124864 /nfs/dbraw/zinc/12/48/64/551124864.db2.gz RIGAZHUZNKDLMC-VQTJNVASSA-N 0 3 368.481 2.200 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282489971 551236439 /nfs/dbraw/zinc/23/64/39/551236439.db2.gz HQPXDNAEIFKOOS-IBGZPJMESA-N 0 3 374.872 2.287 20 30 FEEDHN CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C[C@H]1C#N ZINC000282895315 551282692 /nfs/dbraw/zinc/28/26/92/551282692.db2.gz XOXNMTOBTNPTPD-RTBURBONSA-N 0 3 369.513 2.136 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)CC1 ZINC000283597933 551394038 /nfs/dbraw/zinc/39/40/38/551394038.db2.gz QDLVCVOBAJGYKR-IBGZPJMESA-N 0 3 353.466 2.258 20 30 FEEDHN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC000283698570 551411604 /nfs/dbraw/zinc/41/16/04/551411604.db2.gz UYJAXSQQVYNIDS-UHFFFAOYSA-N 0 3 355.490 2.319 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000284037238 551472369 /nfs/dbraw/zinc/47/23/69/551472369.db2.gz JMBCHZVRGQRKRC-MRXNPFEDSA-N 0 3 373.497 2.418 20 30 FEEDHN C[C@H]1CCCC[C@H]1[N-]C(=S)C(C(=O)c1cnn(C)n1)[n+]1ccccc1 ZINC000284051362 551475101 /nfs/dbraw/zinc/47/51/01/551475101.db2.gz JGFZYUCBOYKEPP-UONOGXRCSA-O 0 3 358.491 2.210 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccncc1)C(C)C ZINC000284111731 551485574 /nfs/dbraw/zinc/48/55/74/551485574.db2.gz QGTRWTCTVQATBT-HKUYNNGSSA-N 0 3 372.513 2.416 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000284255896 551508361 /nfs/dbraw/zinc/50/83/61/551508361.db2.gz IKDWWRHADBBANP-UHFFFAOYSA-N 0 3 369.509 2.381 20 30 FEEDHN CN1CC[C@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000284459111 551553437 /nfs/dbraw/zinc/55/34/37/551553437.db2.gz AHKHPRQSWIXUIP-VQTJNVASSA-N 0 3 365.481 2.369 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCCCO[C@@H](C)c2ccccc2)CC1 ZINC000284600332 551587329 /nfs/dbraw/zinc/58/73/29/551587329.db2.gz GRKNPCIVKPGWIF-KRWDZBQOSA-N 0 3 373.497 2.037 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@](C)(O)CSc2cccc(F)c2)CC1 ZINC000285419785 551753600 /nfs/dbraw/zinc/75/36/00/551753600.db2.gz QEPXYNNRENTYTL-SFHVURJKSA-N 0 3 352.475 2.435 20 30 FEEDHN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)C(=O)NCc1ccco1 ZINC000286237453 551864362 /nfs/dbraw/zinc/86/43/62/551864362.db2.gz TVGNSARZOCURPA-HNNXBMFYSA-N 0 3 352.438 2.415 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286387835 551881847 /nfs/dbraw/zinc/88/18/47/551881847.db2.gz YQPHCQGUAXUVMY-XYPWUTKMSA-N 0 3 356.470 2.292 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286387835 551881848 /nfs/dbraw/zinc/88/18/48/551881848.db2.gz YQPHCQGUAXUVMY-XYPWUTKMSA-N 0 3 356.470 2.292 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000286422458 551884717 /nfs/dbraw/zinc/88/47/17/551884717.db2.gz FWZJCZCMZBGQLU-FUHWJXTLSA-N 0 3 355.482 2.158 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC000286619412 551906890 /nfs/dbraw/zinc/90/68/90/551906890.db2.gz LVPAJZPTWHCAAF-UHFFFAOYSA-N 0 3 373.497 2.119 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287077592 551960657 /nfs/dbraw/zinc/96/06/57/551960657.db2.gz KKDIIVWNVAHPSY-WBMJQRKESA-N 0 3 360.845 2.235 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)CC2CCC2)cc1 ZINC000287443808 552004966 /nfs/dbraw/zinc/00/49/66/552004966.db2.gz WKOWADSKRFMRDV-SWLSCSKDSA-N 0 3 365.455 2.045 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000499497358 561552362 /nfs/dbraw/zinc/55/23/62/561552362.db2.gz YCFJAPYKSJSZNX-SFHVURJKSA-N 0 3 364.515 2.111 20 30 FEEDHN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000288156691 552101617 /nfs/dbraw/zinc/10/16/17/552101617.db2.gz OHFCZAYUMUYFDR-UHFFFAOYSA-N 0 3 363.461 2.391 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000288312194 552131023 /nfs/dbraw/zinc/13/10/23/552131023.db2.gz WYENTHFHBDLSLO-MLGOLLRUSA-N 0 3 360.845 2.235 20 30 FEEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288476223 552159796 /nfs/dbraw/zinc/15/97/96/552159796.db2.gz PAVWNNCTXUAVMP-PVAVHDDUSA-N 0 3 356.445 2.219 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](Cc2ccccc2)C2CC2)nc1 ZINC000289741786 552370964 /nfs/dbraw/zinc/37/09/64/552370964.db2.gz HBNSCNWNZWIVSN-GOSISDBHSA-N 0 3 355.463 2.338 20 30 FEEDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000290099605 552427206 /nfs/dbraw/zinc/42/72/06/552427206.db2.gz QHBLISDHOJDMJX-HUUCEWRRSA-N 0 3 360.458 2.153 20 30 FEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000290288102 552454803 /nfs/dbraw/zinc/45/48/03/552454803.db2.gz ASIZVHQHBSUVLA-FCHUYYIVSA-N 0 3 362.473 2.210 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290323818 552460341 /nfs/dbraw/zinc/46/03/41/552460341.db2.gz VXPBJZFHNUWCED-MGPQQGTHSA-N 0 3 360.433 2.118 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000500824974 561583509 /nfs/dbraw/zinc/58/35/09/561583509.db2.gz DSRSQWPYMIJRLL-SFHVURJKSA-N 0 3 370.501 2.049 20 30 FEEDHN C#CCC(CC#C)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000290604556 552505695 /nfs/dbraw/zinc/50/56/95/552505695.db2.gz RLAOJOLNDBXVGE-JOCHJYFZSA-N 0 3 363.505 2.068 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000293284652 552807041 /nfs/dbraw/zinc/80/70/41/552807041.db2.gz GHXWNWUFOKJEKN-UHFFFAOYSA-N 0 3 355.360 2.024 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000293518727 552831930 /nfs/dbraw/zinc/83/19/30/552831930.db2.gz YRTVVGKIQQQQLB-UHFFFAOYSA-N 0 3 370.478 2.128 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000294042432 552877440 /nfs/dbraw/zinc/87/74/40/552877440.db2.gz SRWHFFDZEIRQAN-QGZVFWFLSA-N 0 3 363.889 2.166 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCC(C)CC1 ZINC000294273649 552893021 /nfs/dbraw/zinc/89/30/21/552893021.db2.gz GDOFOJHUUWUHPP-AWEZNQCLSA-N 0 3 353.463 2.237 20 30 FEEDHN C=C(C)COc1cc(CN[C@H](CC)CNS(C)(=O)=O)ccc1OC ZINC000294935743 552945671 /nfs/dbraw/zinc/94/56/71/552945671.db2.gz BWGSBGBVYADNQW-OAHLLOKOSA-N 0 3 356.488 2.068 20 30 FEEDHN C#CCCOc1ccc(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)cc1 ZINC000295009285 552950945 /nfs/dbraw/zinc/95/09/45/552950945.db2.gz XHIGPRLJLQCVFS-GOSISDBHSA-N 0 3 357.498 2.092 20 30 FEEDHN N#Cc1ccc(CNC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 ZINC000502035513 561610318 /nfs/dbraw/zinc/61/03/18/561610318.db2.gz XCBFZWJROUVXSN-LEWJYISDSA-N 0 3 360.461 2.247 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H](O)Cc2cccc(F)c2)cc1 ZINC000295636339 553037409 /nfs/dbraw/zinc/03/74/09/553037409.db2.gz SXCIZCQKIXZXMB-HKUYNNGSSA-N 0 3 351.381 2.099 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000296261203 553130989 /nfs/dbraw/zinc/13/09/89/553130989.db2.gz CSAKUAMVFIXXJO-UHFFFAOYSA-N 0 3 361.833 2.144 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000296420903 553156919 /nfs/dbraw/zinc/15/69/19/553156919.db2.gz RYOVKJKMCWYUME-MRXNPFEDSA-N 0 3 356.470 2.129 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCN(CCCO)C2)cc1OC ZINC000296499435 553170447 /nfs/dbraw/zinc/17/04/47/553170447.db2.gz SWFYNLSQYIAQSU-XSFOEPMVSA-N 0 3 374.481 2.236 20 30 FEEDHN N#Cc1cnc2ccccc2c1N1CCN(C[C@H]2CCNC(=O)CC2)CC1 ZINC000296987745 553239153 /nfs/dbraw/zinc/23/91/53/553239153.db2.gz FBDZWKAFYJZJNL-MRXNPFEDSA-N 0 3 363.465 2.145 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC([C@H](F)C(=O)OCC)C1)C(C)C ZINC000297101615 553253236 /nfs/dbraw/zinc/25/32/36/553253236.db2.gz NNOJXDXFJMDMQW-IRXDYDNUSA-N 0 3 369.481 2.228 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000297291590 553274376 /nfs/dbraw/zinc/27/43/76/553274376.db2.gz HCDAYOAWSKIVEA-UHFFFAOYSA-N 0 3 357.498 2.029 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000297618277 553316419 /nfs/dbraw/zinc/31/64/19/553316419.db2.gz BUKBBHFAOVWCJN-UHFFFAOYSA-N 0 3 358.486 2.181 20 30 FEEDHN COC(=O)[C@]1(C)CN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C ZINC000503241541 561637838 /nfs/dbraw/zinc/63/78/38/561637838.db2.gz MMTTZPQRPZLJSR-WEMLCZSRSA-N 0 3 363.502 2.437 20 30 FEEDHN CCn1ccnc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000297989557 553367556 /nfs/dbraw/zinc/36/75/56/553367556.db2.gz CHZOXUSEGDQWJL-UHFFFAOYSA-N 0 3 354.458 2.048 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000299178387 553525838 /nfs/dbraw/zinc/52/58/38/553525838.db2.gz PHCLSAWMDCFXFH-UHFFFAOYSA-N 0 3 368.481 2.016 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](N3CCCC3=O)C2)cc1Cl ZINC000299525072 553575723 /nfs/dbraw/zinc/57/57/23/553575723.db2.gz DDUWRJSNGYTHDG-HNNXBMFYSA-N 0 3 360.845 2.237 20 30 FEEDHN CN(CCN1CCN(c2nc3ccccn3c2C#N)CC1)Cc1ccccc1 ZINC000302096903 553704100 /nfs/dbraw/zinc/70/41/00/553704100.db2.gz OKGDJUKOKGMTCZ-UHFFFAOYSA-N 0 3 374.492 2.460 20 30 FEEDHN N#Cc1cnc(N[C@@H]2CCCN(CCN3CCOCC3)C2)c2sccc21 ZINC000603421771 553784191 /nfs/dbraw/zinc/78/41/91/553784191.db2.gz BXWUJTYXQPZFGJ-MRXNPFEDSA-N 0 3 371.510 2.376 20 30 FEEDHN Cc1nc2cccc(C(=O)NC[C@]3(N4CCOCC4)CCSC3)c2[nH]1 ZINC000328685846 553807312 /nfs/dbraw/zinc/80/73/12/553807312.db2.gz FWASTRGCLZJMPQ-GOSISDBHSA-N 0 3 360.483 2.384 20 30 FEEDHN CN1CCN(CCNC(=O)c2csc([C@@H]3CCCO3)n2)CC1(C)C ZINC000328718273 553811809 /nfs/dbraw/zinc/81/18/09/553811809.db2.gz PSUSCCJZXAXAAQ-AWEZNQCLSA-N 0 3 352.504 2.325 20 30 FEEDHN C=CCN1CC[C@H](N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)C1=O ZINC000328779013 553821177 /nfs/dbraw/zinc/82/11/77/553821177.db2.gz IUIMAVHPHBNTBQ-GQIGUUNPSA-N 0 3 356.470 2.163 20 30 FEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328823835 553828404 /nfs/dbraw/zinc/82/84/04/553828404.db2.gz RXDNXQYAQBQYEZ-DLBZAZTESA-N 0 3 353.507 2.292 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000328935245 553848526 /nfs/dbraw/zinc/84/85/26/553848526.db2.gz AHEXUIMHTLVRGG-SFNKJDCFSA-N 0 3 353.507 2.027 20 30 FEEDHN C[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000328946281 553851033 /nfs/dbraw/zinc/85/10/33/553851033.db2.gz GNAGONPWUQLLSJ-GJZGRUSLSA-N 0 3 372.531 2.190 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000328997167 553861613 /nfs/dbraw/zinc/86/16/13/553861613.db2.gz KBXBCXPKMLLMTJ-SJLPKXTDSA-N 0 3 364.534 2.293 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCCN1CCC[C@H](C)C1 ZINC000329023885 553866335 /nfs/dbraw/zinc/86/63/35/553866335.db2.gz IWZXNKJRJVNHHP-XWTMOSNGSA-N 0 3 353.507 2.148 20 30 FEEDHN CN1CCC2(CCCN2C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000329082714 553876927 /nfs/dbraw/zinc/87/69/27/553876927.db2.gz SJPHVLGKLVPKHD-UHFFFAOYSA-N 0 3 359.470 2.475 20 30 FEEDHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329096520 553879613 /nfs/dbraw/zinc/87/96/13/553879613.db2.gz BUSKUFPVWHCDCV-CTNGQTDRSA-N 0 3 373.497 2.493 20 30 FEEDHN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000329166201 553893638 /nfs/dbraw/zinc/89/36/38/553893638.db2.gz HTMKGRIFMZYZND-XKQJLSEDSA-N 0 3 363.506 2.053 20 30 FEEDHN C=CCCCCCN(C)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000506427847 561698628 /nfs/dbraw/zinc/69/86/28/561698628.db2.gz IVZMKKWYCPWHQH-UHFFFAOYSA-N 0 3 371.525 2.407 20 30 FEEDHN CC(C)C(=O)N1CCC(NC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000329289350 553918447 /nfs/dbraw/zinc/91/84/47/553918447.db2.gz MYWBWMRSTHIOGM-QGZVFWFLSA-N 0 3 350.507 2.108 20 30 FEEDHN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)N[C@H]1CCN(C2CC2)C1 ZINC000329318652 553924863 /nfs/dbraw/zinc/92/48/63/553924863.db2.gz SXCBTEAUXDZFIF-SWLSCSKDSA-N 0 3 362.861 2.186 20 30 FEEDHN COCCn1cc2c(n1)[C@H](NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)CCC2 ZINC000329582626 553972069 /nfs/dbraw/zinc/97/20/69/553972069.db2.gz QILXMJWILSJRPM-USXIJHARSA-N 0 3 363.506 2.093 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329614567 553976987 /nfs/dbraw/zinc/97/69/87/553976987.db2.gz SBNKURQCUZIRGC-MSOLQXFVSA-N 0 3 353.507 2.292 20 30 FEEDHN C[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C2CCCCC2)C[C@@H](C)S1(=O)=O ZINC000329625531 553978804 /nfs/dbraw/zinc/97/88/04/553978804.db2.gz SUWZGTWWXMAWJR-INMHGKMJSA-N 0 3 371.547 2.205 20 30 FEEDHN CN(C)C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1ccccc1 ZINC000329629627 553979587 /nfs/dbraw/zinc/97/95/87/553979587.db2.gz VCNOZODXJMRNLD-DFEOGRTESA-N 0 3 374.485 2.459 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CCN1C ZINC000329706280 553992690 /nfs/dbraw/zinc/99/26/90/553992690.db2.gz JWIWLRCHEJANSB-CZUORRHYSA-N 0 3 365.499 2.162 20 30 FEEDHN C[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000329778967 554003967 /nfs/dbraw/zinc/00/39/67/554003967.db2.gz QPSJBFZMEIUJKI-LSDHHAIUSA-N 0 3 371.547 2.062 20 30 FEEDHN CC(C)N1C[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CC1=O ZINC000329852821 554018998 /nfs/dbraw/zinc/01/89/98/554018998.db2.gz VATKWCSTVWAACM-KRWDZBQOSA-N 0 3 358.486 2.165 20 30 FEEDHN CN1CCO[C@H](C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858654 554020467 /nfs/dbraw/zinc/02/04/67/554020467.db2.gz OEIISPCUCMAKIG-WBVHZDCISA-N 0 3 360.458 2.352 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000329959687 554039008 /nfs/dbraw/zinc/03/90/08/554039008.db2.gz NKFQIACYUROMEP-QZTJIDSGSA-N 0 3 366.550 2.398 20 30 FEEDHN CN(Cc1ccccc1NC(=O)[C@@H]1CCCN1C)C(=O)[C@H]1CCCN1C ZINC000329959222 554039180 /nfs/dbraw/zinc/03/91/80/554039180.db2.gz QMKDHWJGLHBBRT-ZWKOTPCHSA-N 0 3 358.486 2.421 20 30 FEEDHN CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)c2)CC1 ZINC000329981911 554043423 /nfs/dbraw/zinc/04/34/23/554043423.db2.gz OEXNBUSYJOWZGX-ZYSHUDEJSA-N 0 3 358.486 2.077 20 30 FEEDHN CCCN1CCC[C@H]1C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000329985921 554044482 /nfs/dbraw/zinc/04/44/82/554044482.db2.gz RKQYHBCCAHEMHL-IBGZPJMESA-N 0 3 372.513 2.466 20 30 FEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000329992966 554045743 /nfs/dbraw/zinc/04/57/43/554045743.db2.gz YBAOEFLFHAPODG-IAGOWNOFSA-N 0 3 372.513 2.464 20 30 FEEDHN CC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000329996174 554046147 /nfs/dbraw/zinc/04/61/47/554046147.db2.gz OKUDLOMMTWAAPI-MSOLQXFVSA-N 0 3 350.507 2.109 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)CN2c3ccccc3CCC2=O)CC1 ZINC000330002120 554047574 /nfs/dbraw/zinc/04/75/74/554047574.db2.gz YOZPAJHOXSIWPZ-UHFFFAOYSA-N 0 3 372.513 2.338 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)CN1Cc1ccccc1 ZINC000330041730 554053569 /nfs/dbraw/zinc/05/35/69/554053569.db2.gz DFZGNYHVQFWMMF-HYVNUMGLSA-N 0 3 355.442 2.207 20 30 FEEDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn([C@H]2CCOC2)nn1 ZINC000330070679 554059093 /nfs/dbraw/zinc/05/90/93/554059093.db2.gz XGVAHRPYOAIMAO-KRWDZBQOSA-N 0 3 355.442 2.209 20 30 FEEDHN C[C@H](C(=O)NC1CCN(C2CCCC2)CC1)S(=O)(=O)C1CCOCC1 ZINC000330100373 554064573 /nfs/dbraw/zinc/06/45/73/554064573.db2.gz DLGYBKOZLKIIPS-CQSZACIVSA-N 0 3 372.531 2.332 20 30 FEEDHN Cn1cc([C@H]2CSCCN2CC(=O)NC2CCN(C3CC3)CC2)cn1 ZINC000330123360 554069194 /nfs/dbraw/zinc/06/91/94/554069194.db2.gz KWARKTXFXDZCLN-QGZVFWFLSA-N 0 3 363.531 2.093 20 30 FEEDHN CN(C)[C@]1(CNC(=O)N2CCC(NC(=O)C3CC3)CC2)CCSC1 ZINC000330175300 554078214 /nfs/dbraw/zinc/07/82/14/554078214.db2.gz ZPZQZOLQJNVWQV-KRWDZBQOSA-N 0 3 354.520 2.169 20 30 FEEDHN CO[C@@H]1CN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C[C@@H]1OC ZINC000330184354 554080075 /nfs/dbraw/zinc/08/00/75/554080075.db2.gz QOWHAPVRAAGOFB-GBESFXJTSA-N 0 3 361.486 2.392 20 30 FEEDHN NC(=O)N1CCC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000330185363 554080485 /nfs/dbraw/zinc/08/04/85/554080485.db2.gz JCCVOCGTIRXSLO-HNNXBMFYSA-N 0 3 352.479 2.183 20 30 FEEDHN NC(=O)N1CCC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000330185364 554080667 /nfs/dbraw/zinc/08/06/67/554080667.db2.gz JCCVOCGTIRXSLO-OAHLLOKOSA-N 0 3 352.479 2.183 20 30 FEEDHN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000330206345 554085106 /nfs/dbraw/zinc/08/51/06/554085106.db2.gz DEMNUKRZTGSRBK-RYRKJORJSA-N 0 3 353.507 2.147 20 30 FEEDHN CO[C@]1(C)C[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1(C)C ZINC000330205591 554085163 /nfs/dbraw/zinc/08/51/63/554085163.db2.gz CPBNUDCTXQAOOE-IDHHARJASA-N 0 3 353.507 2.289 20 30 FEEDHN Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000330254072 554093297 /nfs/dbraw/zinc/09/32/97/554093297.db2.gz JHAFHYLTWIQENV-UONOGXRCSA-N 0 3 364.490 2.494 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000330355713 554110473 /nfs/dbraw/zinc/11/04/73/554110473.db2.gz QVIKRNABZUHVGR-GPMSIDNRSA-N 0 3 373.501 2.303 20 30 FEEDHN C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000330374807 554112834 /nfs/dbraw/zinc/11/28/34/554112834.db2.gz NEHGFUUUHXRGIU-MRXNPFEDSA-N 0 3 364.515 2.098 20 30 FEEDHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000330458799 554124454 /nfs/dbraw/zinc/12/44/54/554124454.db2.gz ZEXUFICUBVVJBE-KRWDZBQOSA-N 0 3 352.523 2.117 20 30 FEEDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000330558956 554137841 /nfs/dbraw/zinc/13/78/41/554137841.db2.gz HBPQGCAEEAZUES-MRXNPFEDSA-N 0 3 353.463 2.333 20 30 FEEDHN CC(C)N1CCC(N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000330573951 554140313 /nfs/dbraw/zinc/14/03/13/554140313.db2.gz PILYIAPWSMNMEW-UHFFFAOYSA-N 0 3 353.463 2.332 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)C[C@@H]1N(C)C ZINC000330725897 554163661 /nfs/dbraw/zinc/16/36/61/554163661.db2.gz ZTQLTGGMCTXSQH-LSDHHAIUSA-N 0 3 354.451 2.307 20 30 FEEDHN C=CCn1c(CC(C)C)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000508481187 561763437 /nfs/dbraw/zinc/76/34/37/561763437.db2.gz ODXFBXHYAYWIDL-UHFFFAOYSA-N 0 3 356.474 2.393 20 30 FEEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000508770358 561772345 /nfs/dbraw/zinc/77/23/45/561772345.db2.gz OBBBIDLSHJSTAG-QFBILLFUSA-N 0 3 358.486 2.447 20 30 FEEDHN C=CCn1c(CC2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000508840708 561774738 /nfs/dbraw/zinc/77/47/38/561774738.db2.gz MHPABZOCAIOJGM-SFHVURJKSA-N 0 3 359.518 2.355 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)CC3CCN(C)CC3)C2)n1 ZINC000331659172 554303500 /nfs/dbraw/zinc/30/35/00/554303500.db2.gz XDLWWTSFHMMJCN-IBGZPJMESA-N 0 3 369.513 2.278 20 30 FEEDHN C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000332394140 554438366 /nfs/dbraw/zinc/43/83/66/554438366.db2.gz NOSNSPKXXFXJLT-AYOQOUSVSA-N 0 3 355.486 2.092 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)N2CCCC2)C1=O ZINC000348427293 554684812 /nfs/dbraw/zinc/68/48/12/554684812.db2.gz SPBOXNOHKCSVSE-MSOLQXFVSA-N 0 3 357.454 2.255 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C2CCN(Cc3ccccc3C)CC2)C1=O ZINC000348504683 554687531 /nfs/dbraw/zinc/68/75/31/554687531.db2.gz YTNVZBNQXAMWTR-GOSISDBHSA-N 0 3 357.454 2.082 20 30 FEEDHN C=CCNC(=O)Cc1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000350727131 554810185 /nfs/dbraw/zinc/81/01/85/554810185.db2.gz SESFMBSAYCVAOD-OAHLLOKOSA-N 0 3 358.417 2.433 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000362710094 554983242 /nfs/dbraw/zinc/98/32/42/554983242.db2.gz HXHJZUFAOGDMTB-QFBILLFUSA-N 0 3 356.470 2.373 20 30 FEEDHN C#CC[C@@H](NC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1)c1ccccc1 ZINC000362729349 554984564 /nfs/dbraw/zinc/98/45/64/554984564.db2.gz XXMJWLMYTOGUIG-PZJWPPBQSA-N 0 3 368.525 2.420 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2COc3c(cccc3OCC)C2)CC1 ZINC000363418887 555101154 /nfs/dbraw/zinc/10/11/54/555101154.db2.gz RSKUQECRMVFYJZ-KRWDZBQOSA-N 0 3 356.466 2.240 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000363424113 555102009 /nfs/dbraw/zinc/10/20/09/555102009.db2.gz OSVXWEXWXJLWKZ-AHRSYUTCSA-N 0 3 355.482 2.496 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363854977 555200121 /nfs/dbraw/zinc/20/01/21/555200121.db2.gz HTJIBGVLANMFHN-YJBOKZPZSA-N 0 3 350.422 2.377 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000364122122 555254306 /nfs/dbraw/zinc/25/43/06/555254306.db2.gz AGBAAJIVODOZSQ-SJORKVTESA-N 0 3 372.469 2.410 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000364269419 555281945 /nfs/dbraw/zinc/28/19/45/555281945.db2.gz SWIXWDBSDGZBDS-HNNXBMFYSA-N 0 3 356.470 2.452 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000364414430 555309212 /nfs/dbraw/zinc/30/92/12/555309212.db2.gz GGFMNIDNZYIQTI-OAHLLOKOSA-N 0 3 373.884 2.154 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000364553923 555336955 /nfs/dbraw/zinc/33/69/55/555336955.db2.gz CUVMXHFJWVZTGR-WOUAJJJCSA-N 0 3 371.481 2.331 20 30 FEEDHN CN1CC[C@@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@H]1c1cccs1 ZINC000365645498 555630634 /nfs/dbraw/zinc/63/06/34/555630634.db2.gz CIVLKJOABPGLJI-BBRMVZONSA-N 0 3 358.471 2.673 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCCC[C@@H]3CN(C)C)C2)n1 ZINC000365755827 555660377 /nfs/dbraw/zinc/66/03/77/555660377.db2.gz ZDPJQYPTNRXLLX-RTBURBONSA-N 0 3 369.513 2.421 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CCN2CCOCC2)CC1 ZINC000513819222 561951118 /nfs/dbraw/zinc/95/11/18/561951118.db2.gz RYCFLUIINQYBAR-SFHVURJKSA-N 0 3 351.535 2.234 20 30 FEEDHN C=CCN(C(=O)NCc1cncn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000367851428 556154650 /nfs/dbraw/zinc/15/46/50/556154650.db2.gz VKBTZEGSEFIZQQ-SFHVURJKSA-N 0 3 353.470 2.392 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000368724131 556398141 /nfs/dbraw/zinc/39/81/41/556398141.db2.gz HZNUJGSCGZURHH-OXQOHEQNSA-N 0 3 363.502 2.400 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000368819123 556421848 /nfs/dbraw/zinc/42/18/48/556421848.db2.gz YJADKINUSHOORB-RTBURBONSA-N 0 3 371.481 2.022 20 30 FEEDHN Cc1c(C#N)c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nc2ccccc12 ZINC000515594471 562016400 /nfs/dbraw/zinc/01/64/00/562016400.db2.gz FOHZUNACYGRWQU-LJQANCHMSA-N 0 3 363.465 2.158 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000369274014 556559701 /nfs/dbraw/zinc/55/97/01/556559701.db2.gz LRRJZCXRXSTGKK-SFHVURJKSA-N 0 3 354.454 2.364 20 30 FEEDHN COc1ccc([C@@H]2[C@@H](CNC(=O)N3CCO[C@@H](C#N)C3)CCCN2C)cc1 ZINC000369399111 556590868 /nfs/dbraw/zinc/59/08/68/556590868.db2.gz ADZMNSFIFGGZBI-NZSAHSFTSA-N 0 3 372.469 2.012 20 30 FEEDHN C=CCN(C(=O)c1ccc(OC)nn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000369570771 556634424 /nfs/dbraw/zinc/63/44/24/556634424.db2.gz TXWDRAUZWHLAOP-QGZVFWFLSA-N 0 3 352.438 2.388 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@H]2[C@H]1c1ccccc1 ZINC000369678089 556666336 /nfs/dbraw/zinc/66/63/36/556666336.db2.gz JLXYCURXVADXBE-QWFCFKBJSA-N 0 3 367.474 2.482 20 30 FEEDHN COCCN(C)CCCNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000516395814 562041804 /nfs/dbraw/zinc/04/18/04/562041804.db2.gz JNTYBZVDIXUOFC-UHFFFAOYSA-N 0 3 364.515 2.055 20 30 FEEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370001282 556754323 /nfs/dbraw/zinc/75/43/23/556754323.db2.gz ZTONEQLVWJELIP-UKRRQHHQSA-N 0 3 368.416 2.583 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000370017840 556759127 /nfs/dbraw/zinc/75/91/27/556759127.db2.gz KZJXXUOAQZJYNZ-FQEVSTJZSA-N 0 3 369.490 2.219 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000370422788 556868246 /nfs/dbraw/zinc/86/82/46/556868246.db2.gz IUZPRPOWLVMUKH-SFHVURJKSA-N 0 3 357.498 2.492 20 30 FEEDHN C=CCOc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1OC ZINC000370487300 556887627 /nfs/dbraw/zinc/88/76/27/556887627.db2.gz IHHHSRDQWSOGAB-QGZVFWFLSA-N 0 3 360.454 2.243 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000370831446 556983365 /nfs/dbraw/zinc/98/33/65/556983365.db2.gz VAUDSPTWYIRBFT-DOTOQJQBSA-N 0 3 364.449 2.445 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371344612 557154352 /nfs/dbraw/zinc/15/43/52/557154352.db2.gz MFOBTKSNFMQBFT-IBGZPJMESA-N 0 3 362.562 2.066 20 30 FEEDHN COc1ccnc(N2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)n1 ZINC000371421263 557181608 /nfs/dbraw/zinc/18/16/08/557181608.db2.gz PIQWOGPNFDXSER-MRXNPFEDSA-N 0 3 367.453 2.488 20 30 FEEDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000371552898 557219507 /nfs/dbraw/zinc/21/95/07/557219507.db2.gz KBSYUBDUARDFIO-ZIFCJYIRSA-N 0 3 361.511 2.472 20 30 FEEDHN COc1cc(CN(CCO)C[C@@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000517784548 562098093 /nfs/dbraw/zinc/09/80/93/562098093.db2.gz JUVHGBQKAIYCCU-MRXNPFEDSA-N 0 3 370.449 2.321 20 30 FEEDHN C=CCN(CC=C)C(=O)CN(C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000372717944 557545962 /nfs/dbraw/zinc/54/59/62/557545962.db2.gz PQOTUYKFUDSDIT-UHFFFAOYSA-N 0 3 357.502 2.195 20 30 FEEDHN N#Cc1c(F)ccc(CNC[C@]2(N3CCOCC3)CCCOC2)c1Cl ZINC000373030433 557613363 /nfs/dbraw/zinc/61/33/63/557613363.db2.gz WETPQDIWPCQQSK-GOSISDBHSA-N 0 3 367.852 2.322 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000373166030 557642332 /nfs/dbraw/zinc/64/23/32/557642332.db2.gz KWWFVXWKAYFSSU-HNNXBMFYSA-N 0 3 355.486 2.499 20 30 FEEDHN C=CCN(C(=O)NCc1ncnn1CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373538698 557713565 /nfs/dbraw/zinc/71/35/65/557713565.db2.gz OYFGMPDWNFNTDA-GOSISDBHSA-N 0 3 368.485 2.270 20 30 FEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000373703177 557742143 /nfs/dbraw/zinc/74/21/43/557742143.db2.gz SXKALUKGYLZGDU-QKNQBKEWSA-N 0 3 367.449 2.427 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000374415868 557880955 /nfs/dbraw/zinc/88/09/55/557880955.db2.gz OYEYEJSIGRHXJT-UHFFFAOYSA-N 0 3 353.470 2.299 20 30 FEEDHN CN1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000375070835 557973701 /nfs/dbraw/zinc/97/37/01/557973701.db2.gz JZPOWZVPUNXWKC-VQTJNVASSA-N 0 3 369.490 2.367 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN4CCC3CC4)C2)c(F)c1 ZINC000375221230 557994379 /nfs/dbraw/zinc/99/43/79/557994379.db2.gz XYWACDDJROILOK-MRXNPFEDSA-N 0 3 371.460 2.156 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375471094 558033097 /nfs/dbraw/zinc/03/30/97/558033097.db2.gz PPQNTISZANVLSR-HOTGVXAUSA-N 0 3 354.410 2.048 20 30 FEEDHN C=CCOc1ccc(CN2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000375520618 558042494 /nfs/dbraw/zinc/04/24/94/558042494.db2.gz UVPWVNQERJKUQU-CVEARBPZSA-N 0 3 374.872 2.339 20 30 FEEDHN C#CC[C@@H](NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)c1ccccc1 ZINC000376208081 558141078 /nfs/dbraw/zinc/14/10/78/558141078.db2.gz CFARIUKQPVNEKA-WOJBJXKFSA-N 0 3 354.498 2.172 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000376442197 558173879 /nfs/dbraw/zinc/17/38/79/558173879.db2.gz PQAAFDSIDXWZKR-OALUTQOASA-N 0 3 367.449 2.285 20 30 FEEDHN CCN1CCN(CCCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000376546811 558188510 /nfs/dbraw/zinc/18/85/10/558188510.db2.gz FJOBPBZCDQLNPC-QFIPXVFZSA-N 0 3 368.525 2.219 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000376614205 558198009 /nfs/dbraw/zinc/19/80/09/558198009.db2.gz PXDRFPDDDAYOIG-SFHVURJKSA-N 0 3 365.481 2.906 20 30 FEEDHN C=CC[C@@H](C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000376906456 558237296 /nfs/dbraw/zinc/23/72/96/558237296.db2.gz FMSKFNZJIINZIY-MOPGFXCFSA-N 0 3 355.482 2.287 20 30 FEEDHN C=CC[C@H](C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000376906457 558237373 /nfs/dbraw/zinc/23/73/73/558237373.db2.gz FMSKFNZJIINZIY-OALUTQOASA-N 0 3 355.482 2.287 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377360225 558324781 /nfs/dbraw/zinc/32/47/81/558324781.db2.gz XUDUOQWDPGDWPO-IHPCNDPISA-N 0 3 357.502 2.061 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000377404160 558334417 /nfs/dbraw/zinc/33/44/17/558334417.db2.gz XPBLWOMUCLHAOU-QANKJYHBSA-N 0 3 361.511 2.298 20 30 FEEDHN N#C[C@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCN1C1CC1 ZINC000377666179 558391250 /nfs/dbraw/zinc/39/12/50/558391250.db2.gz CZMHXQXLTHALBP-FQEVSTJZSA-N 0 3 352.482 2.097 20 30 FEEDHN CN1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000377759875 558413988 /nfs/dbraw/zinc/41/39/88/558413988.db2.gz IAUQVCDZXVUQFT-WMLDXEAASA-N 0 3 368.462 2.367 20 30 FEEDHN COc1ccc(CN[C@@H]2CCN(c3ccn(C)n3)C2)cc1OCCCC#N ZINC000377794750 558420963 /nfs/dbraw/zinc/42/09/63/558420963.db2.gz LXYHJFTWVFPETF-QGZVFWFLSA-N 0 3 369.469 2.480 20 30 FEEDHN CC(C#N)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000522984188 562207085 /nfs/dbraw/zinc/20/70/85/562207085.db2.gz ITPRHTHQROKAFG-WDEREUQCSA-N 0 3 365.231 2.181 20 30 FEEDHN N#Cc1cccc([C@H]2CN(C(=O)[C@@H]3CCCN3C3CCOCC3)CCO2)c1 ZINC000378298564 558523500 /nfs/dbraw/zinc/52/35/00/558523500.db2.gz GVQQUGQTEUEYPC-VQTJNVASSA-N 0 3 369.465 2.102 20 30 FEEDHN C=C(C)[C@H](CC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1)OCC ZINC000378311669 558526705 /nfs/dbraw/zinc/52/67/05/558526705.db2.gz JDQMAQAUDDEQKK-IBGZPJMESA-N 0 3 351.535 2.375 20 30 FEEDHN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(C)(CN2CCOCC2)CC1 ZINC000378432906 558555990 /nfs/dbraw/zinc/55/59/90/558555990.db2.gz IHSJXJIXFCPDEX-LJQANCHMSA-N 0 3 371.481 2.207 20 30 FEEDHN C=CCOc1ccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)cc1OC ZINC000409713035 558715621 /nfs/dbraw/zinc/71/56/21/558715621.db2.gz BWPSBJMTYIBURN-KRWDZBQOSA-N 0 3 362.470 2.083 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000410125647 558740311 /nfs/dbraw/zinc/74/03/11/558740311.db2.gz ZDWRZEDHNUHTFL-MRXNPFEDSA-N 0 3 364.515 2.282 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000410149108 558742146 /nfs/dbraw/zinc/74/21/46/558742146.db2.gz GNYOWRVGSZHYFY-UHFFFAOYSA-N 0 3 352.504 2.050 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N1CCCC1 ZINC000525780279 562254878 /nfs/dbraw/zinc/25/48/78/562254878.db2.gz OUUDONPHVJVFPO-LLVKDONJSA-N 0 3 368.359 2.116 20 30 FEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411776477 558960434 /nfs/dbraw/zinc/96/04/34/558960434.db2.gz VQWBASDTXLTCBS-FGTMMUONSA-N 0 3 355.438 2.375 20 30 FEEDHN N#CC(C(=O)c1cccc(C(=O)NC2CC2)c1)c1nnc2n1CCCCC2 ZINC000525890629 562258786 /nfs/dbraw/zinc/25/87/86/562258786.db2.gz UUIKPXJNRZWNPM-INIZCTEOSA-N 0 3 363.421 2.387 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000411999223 559000975 /nfs/dbraw/zinc/00/09/75/559000975.db2.gz XBPLMUSRDNTHQX-ZBFHGGJFSA-N 0 3 350.484 2.280 20 30 FEEDHN Cc1oc(NC(=O)CNC2(CO)C3CC4CC(C3)CC2C4)c(C#N)c1C ZINC000411999934 559001271 /nfs/dbraw/zinc/00/12/71/559001271.db2.gz COSNDUKXGAXLRW-UHFFFAOYSA-N 0 3 357.454 2.483 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000413106261 559078575 /nfs/dbraw/zinc/07/85/75/559078575.db2.gz ZVXOHBOBOLAXTK-HXUWFJFHSA-N 0 3 358.530 2.499 20 30 FEEDHN CCN1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000413263700 559093243 /nfs/dbraw/zinc/09/32/43/559093243.db2.gz MSQHBGOWZWZDBG-JKSUJKDBSA-N 0 3 359.449 2.060 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000526919087 562269220 /nfs/dbraw/zinc/26/92/20/562269220.db2.gz UIZCNHASWIFGGU-QZTJIDSGSA-N 0 3 364.449 2.290 20 30 FEEDHN C=C(C)COc1cc(CN2CCN(C)C[C@@H](C(=O)OC)C2)ccc1OC ZINC000414489216 559167970 /nfs/dbraw/zinc/16/79/70/559167970.db2.gz MNYXFUUZSPXOHZ-QGZVFWFLSA-N 0 3 362.470 2.187 20 30 FEEDHN N#Cc1cccc(COc2cccc(CN3CC[C@H](O)[C@@H](CO)C3)c2)c1 ZINC000414556048 559171482 /nfs/dbraw/zinc/17/14/82/559171482.db2.gz JEEHUHOXRHIIMR-CTNGQTDRSA-N 0 3 352.434 2.312 20 30 FEEDHN CN(C)[C@@H](CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000416134951 559293644 /nfs/dbraw/zinc/29/36/44/559293644.db2.gz QBEHCCYCPGVGOK-IBGZPJMESA-N 0 3 363.465 2.295 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416685024 559329649 /nfs/dbraw/zinc/32/96/49/559329649.db2.gz LRNNGTVMXFFVLB-PKOBYXMFSA-N 0 3 356.470 2.346 20 30 FEEDHN COC1([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000421037609 559521159 /nfs/dbraw/zinc/52/11/59/559521159.db2.gz SAYONSFACRYDNT-CRAIPNDOSA-N 0 3 357.454 2.227 20 30 FEEDHN CN(C[C@@H]1CCCN1C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000421709495 559550425 /nfs/dbraw/zinc/55/04/25/559550425.db2.gz FOAVMYKFUQMTSL-SFHVURJKSA-N 0 3 356.470 2.266 20 30 FEEDHN CC(C)(C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H](N)c1ccccc1 ZINC000422720763 559604228 /nfs/dbraw/zinc/60/42/28/559604228.db2.gz MVBYSXLOCKTXDR-LJQANCHMSA-N 0 3 363.465 2.328 20 30 FEEDHN CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@H](N)CCCC#N)c2)c1C ZINC000424097497 559654761 /nfs/dbraw/zinc/65/47/61/559654761.db2.gz RBVVRCNODRDWDI-QGZVFWFLSA-N 0 3 369.425 2.317 20 30 FEEDHN COC(=O)[C@H](CNC(=O)[C@@H](N)CCCC#N)Cc1cccc2ccccc21 ZINC000424122310 559655487 /nfs/dbraw/zinc/65/54/87/559655487.db2.gz JCXHGUFYVFFRDX-HKUYNNGSSA-N 0 3 367.449 2.309 20 30 FEEDHN CCc1nc(CN2CCC(CNC(=O)[C@H](N)CCCC#N)CC2)cs1 ZINC000424141704 559655916 /nfs/dbraw/zinc/65/59/16/559655916.db2.gz HNHRHZXCNQFQRW-MRXNPFEDSA-N 0 3 363.531 2.055 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000424137781 559655999 /nfs/dbraw/zinc/65/59/99/559655999.db2.gz MEPFJFOYKQVCPK-MOPGFXCFSA-N 0 3 364.449 2.374 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000424165021 559656536 /nfs/dbraw/zinc/65/65/36/559656536.db2.gz DBFBHKZHQJIYJI-INIZCTEOSA-N 0 3 350.850 2.132 20 30 FEEDHN C=CCCn1cc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)nn1 ZINC000424712715 559674415 /nfs/dbraw/zinc/67/44/15/559674415.db2.gz KNYPYMAYNLQDDS-UHFFFAOYSA-N 0 3 369.469 2.311 20 30 FEEDHN CC(C(=O)N(C)[C@H](C)c1cccc(C#N)c1)S(=O)(=O)C1CCOCC1 ZINC000425135797 559688280 /nfs/dbraw/zinc/68/82/80/559688280.db2.gz VYFHQZNYSDXLGT-ZIAGYGMSSA-N 0 3 364.467 2.060 20 30 FEEDHN C=CCn1cc(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)nn1 ZINC000425396153 559700114 /nfs/dbraw/zinc/70/01/14/559700114.db2.gz JSGFBIIOPKGPPB-UHFFFAOYSA-N 0 3 368.485 2.100 20 30 FEEDHN N#C[C@H]1CC[C@@H](NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000425409292 559700747 /nfs/dbraw/zinc/70/07/47/559700747.db2.gz AKUOMXCEAQLWBR-VQTJNVASSA-N 0 3 369.513 2.186 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)nn1 ZINC000425470325 559703891 /nfs/dbraw/zinc/70/38/91/559703891.db2.gz FMOKRGADDOINJG-QFBILLFUSA-N 0 3 368.485 2.174 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000425489831 559705290 /nfs/dbraw/zinc/70/52/90/559705290.db2.gz YHLUAJSWSNKKLD-LBPRGKRZSA-N 0 3 366.487 2.330 20 30 FEEDHN N#Cc1ccsc1NC(=O)CN[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425534666 559708226 /nfs/dbraw/zinc/70/82/26/559708226.db2.gz FGKSWRLZXFTDDZ-MRXNPFEDSA-N 0 3 363.483 2.106 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)c(C#N)cn1CC ZINC000425679884 559714486 /nfs/dbraw/zinc/71/44/86/559714486.db2.gz MJYUWMVDDDHGDG-DZGCQCFKSA-N 0 3 373.457 2.114 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425884966 559724003 /nfs/dbraw/zinc/72/40/03/559724003.db2.gz LBYKWPAEYYSXRA-APWZRJJASA-N 0 3 370.497 2.458 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N(C)C ZINC000425953014 559725956 /nfs/dbraw/zinc/72/59/56/559725956.db2.gz JDYIAOSRTUPVRI-AWEZNQCLSA-N 0 3 366.421 2.355 20 30 FEEDHN CCN(CC)[C@H](CNS(=O)(=O)c1cccnc1C#N)Cc1ccccc1 ZINC000428272071 559772602 /nfs/dbraw/zinc/77/26/02/559772602.db2.gz RJOSFLPLVOPZGU-KRWDZBQOSA-N 0 3 372.494 2.185 20 30 FEEDHN CC[NH+](CC)Cc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428271744 559772607 /nfs/dbraw/zinc/77/26/07/559772607.db2.gz PLUDMFSBEWZHBU-UHFFFAOYSA-N 0 3 358.467 2.274 20 30 FEEDHN C(#CCN1CCOC[C@@H](C2CCC2)C1)CN1CCOC[C@H](C2CCC2)C1 ZINC000429028238 559789301 /nfs/dbraw/zinc/78/93/01/559789301.db2.gz MAUFHYXMWGEYMN-SZPZYZBQSA-N 0 3 360.542 2.487 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000429724068 559804562 /nfs/dbraw/zinc/80/45/62/559804562.db2.gz WLBJGEMDFIQJBL-LJQANCHMSA-N 0 3 363.477 2.165 20 30 FEEDHN CN(C)CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)C1CCCC1 ZINC000429814819 559806090 /nfs/dbraw/zinc/80/60/90/559806090.db2.gz XEOHHGNUSIDMNU-UHFFFAOYSA-N 0 3 362.861 2.483 20 30 FEEDHN C[C@@H]1CN(CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000432872876 559866823 /nfs/dbraw/zinc/86/68/23/559866823.db2.gz OOCHJKHGIJHIPZ-CQSZACIVSA-N 0 3 369.425 2.927 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000439419123 559993547 /nfs/dbraw/zinc/99/35/47/559993547.db2.gz FDVDHLCMNCNLJH-QGZVFWFLSA-N 0 3 356.470 2.432 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](COC)C1)C(C)C ZINC000439699983 559999003 /nfs/dbraw/zinc/99/90/03/559999003.db2.gz QVIVCHADKQWOFM-KZNAEPCWSA-N 0 3 353.507 2.130 20 30 FEEDHN CC(C)(C#N)CCCCN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000444590442 560116166 /nfs/dbraw/zinc/11/61/66/560116166.db2.gz CBRJGMKJLNTDLQ-UHFFFAOYSA-N 0 3 364.515 2.176 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000447433067 560162295 /nfs/dbraw/zinc/16/22/95/560162295.db2.gz YRHIIRSANZXRIN-UHFFFAOYSA-N 0 3 359.470 2.428 20 30 FEEDHN N#Cc1ccc(OCC(=O)NCCN2CCCCC2)cc1Br ZINC000449617790 560234948 /nfs/dbraw/zinc/23/49/48/560234948.db2.gz IPRRJIYXJXLOOX-UHFFFAOYSA-N 0 3 366.259 2.302 20 30 FEEDHN N#Cc1c(Br)cccc1OCC(=O)N1CCN2CCC[C@H]2C1 ZINC000449831511 560241765 /nfs/dbraw/zinc/24/17/65/560241765.db2.gz WLWXAZOXEUCHJP-LBPRGKRZSA-N 0 3 364.243 2.006 20 30 FEEDHN CN(C)[C@]1(CNC(=O)c2ccc(Br)cc2C#N)CCSC1 ZINC000450085826 560250219 /nfs/dbraw/zinc/25/02/19/560250219.db2.gz JOGYARRKZLQIHZ-HNNXBMFYSA-N 0 3 368.300 2.488 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000450519285 560264988 /nfs/dbraw/zinc/26/49/88/560264988.db2.gz MBXCITCUHCYVAU-GOSISDBHSA-N 0 3 352.438 2.082 20 30 FEEDHN C[C@H]1[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCCN1C ZINC000450545995 560265674 /nfs/dbraw/zinc/26/56/74/560265674.db2.gz CVVLIVMEWCGXTG-NHYWBVRUSA-N 0 3 366.259 2.298 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000451074222 560285655 /nfs/dbraw/zinc/28/56/55/560285655.db2.gz OZETUKSOAQFZAA-UHFFFAOYSA-N 0 3 351.447 2.087 20 30 FEEDHN CC[C@@H]1CCCCN1CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451190568 560292378 /nfs/dbraw/zinc/29/23/78/560292378.db2.gz LILWTQAUVLCJAC-QGZVFWFLSA-N 0 3 353.463 2.381 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000451603746 560317068 /nfs/dbraw/zinc/31/70/68/560317068.db2.gz DRSDDOZBPCYBBA-MSOLQXFVSA-N 0 3 368.437 2.490 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000452120564 560352359 /nfs/dbraw/zinc/35/23/59/560352359.db2.gz RRDIUZCOXDIVAO-MRXNPFEDSA-N 0 3 362.440 2.389 20 30 FEEDHN O=C(CN1CC[C@H](CCCO)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000452122525 560352615 /nfs/dbraw/zinc/35/26/15/560352615.db2.gz HLUFQFCIMIDASN-INIZCTEOSA-N 0 3 368.399 2.268 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000453645986 560393007 /nfs/dbraw/zinc/39/30/07/560393007.db2.gz AUVLBKKTUNMWNV-INIZCTEOSA-N 0 3 364.449 2.442 20 30 FEEDHN C[C@H](CO)N1CCCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455728359 560493133 /nfs/dbraw/zinc/49/31/33/560493133.db2.gz HEXDCECGTWSNPZ-CYBMUJFWSA-N 0 3 350.850 2.326 20 30 FEEDHN CCN1CCN(CCCCNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455762554 560494188 /nfs/dbraw/zinc/49/41/88/560494188.db2.gz ZHNJYOBQGVERFH-UHFFFAOYSA-N 0 3 364.881 2.146 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000455957948 560502150 /nfs/dbraw/zinc/50/21/50/560502150.db2.gz QXRAYUNCUSKQED-MRXNPFEDSA-N 0 3 355.486 2.499 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000456081417 560506333 /nfs/dbraw/zinc/50/63/33/560506333.db2.gz HILDNMPXYKQGIW-CQSZACIVSA-N 0 3 353.344 2.340 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[C@@H]1CCOC1 ZINC000459079787 560665533 /nfs/dbraw/zinc/66/55/33/560665533.db2.gz REEHLCQLAFIEKC-LJQANCHMSA-N 0 3 358.486 2.448 20 30 FEEDHN CN(Cc1c(C#N)cccc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000459329565 560680124 /nfs/dbraw/zinc/68/01/24/560680124.db2.gz AMSJOSMQMXQAAJ-UHFFFAOYSA-N 0 3 368.441 2.259 20 30 FEEDHN CCCN(CCN1CCN(CC)CC1)C(=O)NCC#Cc1cccc(F)c1 ZINC000460625265 560747395 /nfs/dbraw/zinc/74/73/95/560747395.db2.gz IINLYDATOUKAOH-UHFFFAOYSA-N 0 3 374.504 2.236 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000460754700 560750911 /nfs/dbraw/zinc/75/09/11/560750911.db2.gz CIEXYVCKYLMADK-RTBURBONSA-N 0 3 366.550 2.027 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCN1C ZINC000466040751 560879107 /nfs/dbraw/zinc/87/91/07/560879107.db2.gz VFURQYKZUALQMQ-HOCLYGCPSA-N 0 3 359.449 2.012 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000467022455 560901645 /nfs/dbraw/zinc/90/16/45/560901645.db2.gz IOSAOSGOWRJFBK-PBHICJAKSA-N 0 3 357.454 2.325 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCSC[C@@H]2CCO)cc1Cl ZINC000470210936 560976752 /nfs/dbraw/zinc/97/67/52/560976752.db2.gz XKUGJYGWHJVOHI-AWEZNQCLSA-N 0 3 353.875 2.340 20 30 FEEDHN CN(CCNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)C1CC1 ZINC000473357165 561048365 /nfs/dbraw/zinc/04/83/65/561048365.db2.gz ULILPPXEMLGPLB-UHFFFAOYSA-N 0 3 361.445 2.235 20 30 FEEDHN CC1CCN([C@@H](CNC(=O)c2cnn(C)c2C#N)c2ccccc2)CC1 ZINC000475117969 561090922 /nfs/dbraw/zinc/09/09/22/561090922.db2.gz JFPNALKQNZQPKY-IBGZPJMESA-N 0 3 351.454 2.495 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@]2(CCCOC2)C1 ZINC000528400452 562327037 /nfs/dbraw/zinc/32/70/37/562327037.db2.gz OPORSRVWCZLBEE-NRFANRHFSA-N 0 3 352.434 2.179 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CCC(C(=O)NCCc3cccs3)CC2)CC1 ZINC000528408136 562327421 /nfs/dbraw/zinc/32/74/21/562327421.db2.gz JTWJHQMKKBEVPQ-MRXNPFEDSA-N 0 3 361.511 2.174 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H](C2CCOCC2)C1 ZINC000528429359 562328981 /nfs/dbraw/zinc/32/89/81/562328981.db2.gz VAZIWAWPIFJJOB-QGZVFWFLSA-N 0 3 352.434 2.035 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000528758628 562346277 /nfs/dbraw/zinc/34/62/77/562346277.db2.gz GBFRAJKLPAIXAN-UYAYXHRUSA-N 0 3 353.426 2.084 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NC)cc2OC)CC1 ZINC000529187452 562363791 /nfs/dbraw/zinc/36/37/91/562363791.db2.gz VUMOLNGBQQKZGT-UHFFFAOYSA-N 0 3 360.458 2.217 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)nc1 ZINC000530237816 562403453 /nfs/dbraw/zinc/40/34/53/562403453.db2.gz ZIMQUVLMIXUVII-BPQIPLTHSA-N 0 3 373.865 2.308 20 30 FEEDHN CN1CCN(C)c2cc(NC[C@H](O)COc3ccccc3C#N)ccc2C1 ZINC000530237712 562403508 /nfs/dbraw/zinc/40/35/08/562403508.db2.gz JFNYTBIJWILIBI-IBGZPJMESA-N 0 3 366.465 2.292 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CCCN(C(C)(C)C)CC3)CC2)o1 ZINC000530278535 562405158 /nfs/dbraw/zinc/40/51/58/562405158.db2.gz IBMXIIYDQGHCHV-UHFFFAOYSA-N 0 3 373.501 2.404 20 30 FEEDHN N#Cc1ccc(CNC[C@H]2CCCN(c3nccn4cnnc34)C2)c(F)c1 ZINC000533308729 562504612 /nfs/dbraw/zinc/50/46/12/562504612.db2.gz ZDCLPOQOWCKJTP-OAHLLOKOSA-N 0 3 365.416 2.141 20 30 FEEDHN N#Cc1ccc(CNC[C@@H]2CCCN(c3nccn4cnnc34)C2)c(F)c1 ZINC000533308728 562504707 /nfs/dbraw/zinc/50/47/07/562504707.db2.gz ZDCLPOQOWCKJTP-HNNXBMFYSA-N 0 3 365.416 2.141 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](C1CCCCC1)N(C)C ZINC000546002675 562632434 /nfs/dbraw/zinc/63/24/34/562632434.db2.gz OOLGWSVKWQRCKC-QGZVFWFLSA-N 0 3 372.469 2.132 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCSC[C@@H](C)C1)C(C)C ZINC000556206497 674392158 /nfs/dbraw/zinc/39/21/58/674392158.db2.gz LBWBMJUTSGGSOM-IRXDYDNUSA-N 0 3 367.559 2.013 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000609470571 567821920 /nfs/dbraw/zinc/82/19/20/567821920.db2.gz BPVFMFZLHWTPIT-IRXDYDNUSA-N 0 3 373.476 2.307 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)C(C)C ZINC000602024191 567902904 /nfs/dbraw/zinc/90/29/04/567902904.db2.gz VBXHETNCQWFCNK-SFHVURJKSA-N 0 3 372.444 2.451 20 30 FEEDHN Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCC[C@@H]2C#N)ccc1OCCN(C)C ZINC000602061724 567922715 /nfs/dbraw/zinc/92/27/15/567922715.db2.gz GSSJUKQFSQLIRH-WBVHZDCISA-N 0 3 372.469 2.025 20 30 FEEDHN COc1cc(NCCCNC(=O)C(C#N)CCc2ccccc2)ncn1 ZINC000602162748 567945823 /nfs/dbraw/zinc/94/58/23/567945823.db2.gz RLLUUVVEHXKTBB-MRXNPFEDSA-N 0 3 353.426 2.176 20 30 FEEDHN C[C@H]1CN(CCCNC(=O)N2CCc3c(CC#N)cccc3C2)CCCO1 ZINC000602303592 567965101 /nfs/dbraw/zinc/96/51/01/567965101.db2.gz WBHMWABLERBZEP-KRWDZBQOSA-N 0 3 370.497 2.321 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000602519448 567987027 /nfs/dbraw/zinc/98/70/27/567987027.db2.gz FIQJBYVURFGTHL-MRXNPFEDSA-N 0 3 359.470 2.342 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852597 568001548 /nfs/dbraw/zinc/00/15/48/568001548.db2.gz DCDZXKHTAJWQQI-SVFBPWRDSA-N 0 3 356.514 2.196 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cnc(C(=O)OC)c(Cl)c2)CC1 ZINC000603055604 568056147 /nfs/dbraw/zinc/05/61/47/568056147.db2.gz SYICGPOAIIKHKJ-UHFFFAOYSA-N 0 3 352.822 2.294 20 30 FEEDHN N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000568847715 568236049 /nfs/dbraw/zinc/23/60/49/568236049.db2.gz DNVWTSQYGXGFKH-SFHVURJKSA-N 0 3 350.422 2.013 20 30 FEEDHN CNCc1cccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1 ZINC000569944536 568444010 /nfs/dbraw/zinc/44/40/10/568444010.db2.gz OPNQGXVRMDJRRI-UHFFFAOYSA-N 0 3 350.426 2.027 20 30 FEEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737196454 598899339 /nfs/dbraw/zinc/89/93/39/598899339.db2.gz JWRLQBSCXNNSID-INIZCTEOSA-N 0 3 373.464 2.445 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000556818674 674422161 /nfs/dbraw/zinc/42/21/61/674422161.db2.gz JFXZUYRKIMWCOE-XJKSGUPXSA-N 0 3 351.447 2.086 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C[S@@](C)=O)cc2)CC1 ZINC000557838026 674469883 /nfs/dbraw/zinc/46/98/83/674469883.db2.gz BTTGNECVYJRBKW-RUZDIDTESA-N 0 3 363.527 2.405 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000557852310 674471007 /nfs/dbraw/zinc/47/10/07/674471007.db2.gz DEYDXYLFUZJBNY-GUYCJALGSA-N 0 3 351.447 2.086 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCC(=O)N2)cc1Cl ZINC000808979092 674476808 /nfs/dbraw/zinc/47/68/08/674476808.db2.gz FBMYWUXAGXFONP-ZYHUDNBSSA-N 0 3 363.801 2.055 20 30 FEEDHN C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccc(C#N)cc1 ZINC000822000393 606178292 /nfs/dbraw/zinc/17/82/92/606178292.db2.gz NKDPCQVJQNOJKW-MRXNPFEDSA-N 0 3 373.464 2.445 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814646284 674872325 /nfs/dbraw/zinc/87/23/25/674872325.db2.gz WZIJJVRRRHXZOW-OAHLLOKOSA-N 0 3 351.491 2.400 20 30 FEEDHN CO[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)C1 ZINC000816037669 675000754 /nfs/dbraw/zinc/00/07/54/675000754.db2.gz UWJOMIKKEYSRDO-DFBGVHRSSA-N 0 3 350.365 2.495 20 30 FEEDHN Cc1cc(C)c(CCNCCS(=O)(=O)c2ccc(C#N)cn2)c(C)c1 ZINC000571425908 670873117 /nfs/dbraw/zinc/87/31/17/670873117.db2.gz DRQFGNPSJSMIQS-UHFFFAOYSA-N 0 3 357.479 2.485 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000576749205 671391409 /nfs/dbraw/zinc/39/14/09/671391409.db2.gz PFKMNJLRFJZHGD-INIZCTEOSA-N 0 3 363.527 2.432 20 30 FEEDHN CCC(CC)[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CCO1 ZINC000577099573 671416646 /nfs/dbraw/zinc/41/66/46/671416646.db2.gz DPRBJSSOISJIFW-DLBZAZTESA-N 0 3 365.499 2.300 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)N1CCCC1 ZINC000609400942 675921473 /nfs/dbraw/zinc/92/14/73/675921473.db2.gz HDBFDPAMENSANF-CQSZACIVSA-N 0 3 360.483 2.231 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCOc2c(Br)cccc21 ZINC000578620109 671677846 /nfs/dbraw/zinc/67/78/46/671677846.db2.gz OVZFMJPDMIQBRO-WFASDCNBSA-N 0 3 368.275 2.069 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000121584675 671952958 /nfs/dbraw/zinc/95/29/58/671952958.db2.gz WUYWEVQYVOTGGJ-CQSZACIVSA-N 0 3 361.423 2.197 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCS(=O)(=O)C1CCCC1 ZINC000123019573 671973792 /nfs/dbraw/zinc/97/37/92/671973792.db2.gz QWUAYRXOWKLWIF-CQSZACIVSA-N 0 3 359.451 2.497 20 30 FEEDHN CNC(=O)C(C#N)C(=O)CSc1nccn1-c1cccc(Cl)c1C ZINC000133446470 672110682 /nfs/dbraw/zinc/11/06/82/672110682.db2.gz LECQJZOFFGDVKI-LLVKDONJSA-N 0 3 362.842 2.381 20 30 FEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000138879394 672145209 /nfs/dbraw/zinc/14/52/09/672145209.db2.gz QOJYSZQHVDYNGR-LBPRGKRZSA-N 0 3 354.332 2.003 20 30 FEEDHN CCO[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1(CC)CC ZINC000584017538 672147709 /nfs/dbraw/zinc/14/77/09/672147709.db2.gz WKLKXMGSBQWGQQ-JKSUJKDBSA-N 0 3 365.499 2.300 20 30 FEEDHN Cc1nn(C)c(C)c1OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000177193636 672380703 /nfs/dbraw/zinc/38/07/03/672380703.db2.gz DNFMESCVCIIAII-AWEZNQCLSA-N 0 3 360.801 2.417 20 30 FEEDHN COc1ccc(Br)c(CC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000179457307 672402044 /nfs/dbraw/zinc/40/20/44/672402044.db2.gz ZSXMUPFXNTUDNW-GFCCVEGCSA-N 0 3 353.216 2.234 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000193425235 672724480 /nfs/dbraw/zinc/72/44/80/672724480.db2.gz BXXXOWXGJTWCPP-GXSJLCMTSA-N 0 3 359.209 2.232 20 30 FEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000193611094 672730886 /nfs/dbraw/zinc/73/08/86/672730886.db2.gz CZNXJIUGXXOFDU-JSGCOSHPSA-N 0 3 359.392 2.418 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1Cl ZINC000193907494 672740757 /nfs/dbraw/zinc/74/07/57/672740757.db2.gz LHYBCSFVUYNZQP-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594430332 673070678 /nfs/dbraw/zinc/07/06/78/673070678.db2.gz ZOFWARFODLAOPU-XJKSGUPXSA-N 0 3 351.472 2.021 20 30 FEEDHN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594426808 673070866 /nfs/dbraw/zinc/07/08/66/673070866.db2.gz SDSUJWUOSUSQGX-HNNXBMFYSA-N 0 3 366.487 2.113 20 30 FEEDHN COC(=O)C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594432438 673071357 /nfs/dbraw/zinc/07/13/57/673071357.db2.gz AGPYCIJHLGWDSY-GJZGRUSLSA-N 0 3 351.834 2.472 20 30 FEEDHN [O-]C(=[NH+]C[C@H]1CCc2nccn2C1)N1CCN(Cc2cccs2)CC1 ZINC000329970108 673084839 /nfs/dbraw/zinc/08/48/39/673084839.db2.gz WZHHHVSVIJVAHS-OAHLLOKOSA-N 0 3 359.499 2.239 20 30 FEEDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(OCC#N)cc1 ZINC000729267025 673230730 /nfs/dbraw/zinc/23/07/30/673230730.db2.gz HWALRIMPKYOPBC-CQSZACIVSA-N 0 3 359.451 2.429 20 30 FEEDHN COC(=O)N(C)CCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000729889195 673252068 /nfs/dbraw/zinc/25/20/68/673252068.db2.gz LOWDWRYTXMJNSE-ZDUSSCGKSA-N 0 3 351.790 2.466 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 ZINC000729977183 673255672 /nfs/dbraw/zinc/25/56/72/673255672.db2.gz MRPWNHVVISXAMP-HNNXBMFYSA-N 0 3 371.547 2.399 20 30 FEEDHN C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000732200888 673357025 /nfs/dbraw/zinc/35/70/25/673357025.db2.gz PJXPGVMQPKVPBK-UPJWGTAASA-N 0 3 356.451 2.058 20 30 FEEDHN CC(C(=O)N1/C(=N/Cc2ccccc2)SCC1(C)C)S(C)(=O)=O ZINC000733086480 673397277 /nfs/dbraw/zinc/39/72/77/673397277.db2.gz MXODODFNIMYHJB-JTFSYWPOSA-N 0 3 354.497 2.330 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000542763209 673603301 /nfs/dbraw/zinc/60/33/01/673603301.db2.gz MNQLXKZMWOSOMW-QGZVFWFLSA-N 0 3 360.889 2.452 20 30 FEEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000598722971 673603440 /nfs/dbraw/zinc/60/34/40/673603440.db2.gz FELOYHHDQPIUOO-IUODEOHRSA-N 0 3 353.825 2.475 20 30 FEEDHN CC(C)(C)OC(=O)CSCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000741429158 673686215 /nfs/dbraw/zinc/68/62/15/673686215.db2.gz COLLXSDFUDLSSQ-CYBMUJFWSA-N 0 3 354.472 2.219 20 30 FEEDHN CC1(C)CCC[C@@](CO)(NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000599592827 673695039 /nfs/dbraw/zinc/69/50/39/673695039.db2.gz AHPLKOVLGZHYBG-GOSISDBHSA-N 0 3 350.484 2.253 20 30 FEEDHN COc1cc(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c(F)cc1C#N ZINC000599813949 673720026 /nfs/dbraw/zinc/72/00/26/673720026.db2.gz BOQIGJMZEQXKDJ-UKRRQHHQSA-N 0 3 352.435 2.215 20 30 FEEDHN COc1ccc(CNCc2ccc(N(C)S(C)(=O)=O)cc2)cc1C#N ZINC000742370962 673725874 /nfs/dbraw/zinc/72/58/74/673725874.db2.gz WBIZQHNKVDEVIM-UHFFFAOYSA-N 0 3 359.451 2.252 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1C ZINC000601355529 673847157 /nfs/dbraw/zinc/84/71/57/673847157.db2.gz TXCIVFPXWPNVAT-CZUORRHYSA-N 0 3 353.463 2.499 20 30 FEEDHN CCOC(=O)[C@@H]1[C@H](N[C@@H]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000818357224 675216047 /nfs/dbraw/zinc/21/60/47/675216047.db2.gz WXAZHCKLFWDEBI-YJNKXOJESA-N 0 3 351.447 2.209 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000818615286 675228933 /nfs/dbraw/zinc/22/89/33/675228933.db2.gz GRGMYDDUUFRWBT-OAHLLOKOSA-N 0 3 369.918 2.227 20 30 FEEDHN C=CCS(=O)(=O)CCNCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000819221028 675271096 /nfs/dbraw/zinc/27/10/96/675271096.db2.gz AJBBVZLZVXJCRF-UHFFFAOYSA-N 0 3 364.389 2.224 20 30 FEEDHN C=CC(C)(C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000625637375 676664253 /nfs/dbraw/zinc/66/42/53/676664253.db2.gz LZNCDNNWVNJYSY-UHFFFAOYSA-N 0 3 351.516 2.357 20 30 FEEDHN C=CC[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000658752867 678123428 /nfs/dbraw/zinc/12/34/28/678123428.db2.gz RTCVUSFAFMKRIV-INIZCTEOSA-N 0 3 363.527 2.453 20 30 FEEDHN C=CCN1CC[C@@H](N(C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000839591519 680764401 /nfs/dbraw/zinc/76/44/01/680764401.db2.gz JPMVTPKCPIFABZ-HZPDHXFCSA-N 0 3 351.491 2.352 20 30 FEEDHN C[NH+]1CCC(C/N=C\c2cc(Cl)ccc2[O-])(N2CCOCC2)CC1 ZINC000840711873 680839196 /nfs/dbraw/zinc/83/91/96/680839196.db2.gz SWWJATKPSUHILY-MOSHPQCFSA-N 0 3 351.878 2.261 20 30 FEEDHN CCOC(=O)[C@@H]1[C@@H](NCC(C)(C)CC#N)CCN1C(=O)OC(C)(C)C ZINC000840788256 680842902 /nfs/dbraw/zinc/84/29/02/680842902.db2.gz WYKNXCKHWLRXMG-KBPBESRZSA-N 0 3 353.463 2.457 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC001027075519 680354850 /nfs/dbraw/zinc/35/48/50/680354850.db2.gz UQCJEIQWCOVTSD-LBTNJELSSA-N 0 3 350.409 2.494 20 30 FEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC000999156011 680396533 /nfs/dbraw/zinc/39/65/33/680396533.db2.gz PUHMPLFCFUATER-NWINJMCUSA-N 0 3 367.291 2.011 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CN([C@H](C)COC)C2)CC1 ZINC001035814892 680453130 /nfs/dbraw/zinc/45/31/30/680453130.db2.gz VVGMVYKAYZCUDV-SQNIBIBYSA-N 0 3 350.503 2.317 20 30 FEEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001039134692 680461968 /nfs/dbraw/zinc/46/19/68/680461968.db2.gz ULVWATGCVKYQEA-UAGQMJEPSA-N 0 3 356.894 2.103 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000836490040 680476683 /nfs/dbraw/zinc/47/66/83/680476683.db2.gz DBIWURGSICVZAI-KRWDZBQOSA-N 0 3 351.397 2.003 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CNC[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084043 680986646 /nfs/dbraw/zinc/98/66/46/680986646.db2.gz MPPKSSANHPUXIV-DYVFJYSZSA-N 0 3 364.804 2.414 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000843897106 681024454 /nfs/dbraw/zinc/02/44/54/681024454.db2.gz QISFDCLFBSVRKH-INIZCTEOSA-N 0 3 351.491 2.095 20 30 FEEDHN Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CCCN3C(C)C)[C@H]2C)c1C#N ZINC001050620713 681051969 /nfs/dbraw/zinc/05/19/69/681051969.db2.gz CXOLQTYSJUXIDU-VNQPRFMTSA-N 0 3 361.515 2.279 20 30 FEEDHN CCN(CC)[C@H](CNS(=O)(=O)CC(C)(C)C#N)Cc1ccccc1 ZINC000777817264 681534012 /nfs/dbraw/zinc/53/40/12/681534012.db2.gz DTKASPRSMPJCDF-KRWDZBQOSA-N 0 3 351.516 2.409 20 30 FEEDHN CN(C)S(=O)(=O)c1ccc(N=NC2CCCN3CCCC[C@@H]23)cc1 ZINC000848410482 681536492 /nfs/dbraw/zinc/53/64/92/681536492.db2.gz POBSCAZXWUPKCU-KRWDZBQOSA-N 0 3 350.488 2.353 20 30 FEEDHN COC(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000850755090 681956784 /nfs/dbraw/zinc/95/67/84/681956784.db2.gz AWJYHOWBGGMWFW-AWEZNQCLSA-N 0 3 363.801 2.466 20 30 FEEDHN CC(C)N(CC(=O)C(C#N)C(=O)NC1CCCC1)C(=O)OC(C)(C)C ZINC000850768043 681958394 /nfs/dbraw/zinc/95/83/94/681958394.db2.gz KKAYHFVJKGMACU-CQSZACIVSA-N 0 3 351.447 2.400 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000917098013 685529664 /nfs/dbraw/zinc/52/96/64/685529664.db2.gz QDHPVCLOHOTNBH-QGZVFWFLSA-N 0 3 351.491 2.054 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000852127932 682224493 /nfs/dbraw/zinc/22/44/93/682224493.db2.gz ZBBOHSNMHFKYOG-HNNXBMFYSA-N 0 3 357.376 2.087 20 30 FEEDHN CC(=O)N[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917135541 685530029 /nfs/dbraw/zinc/53/00/29/685530029.db2.gz FOOCCKXIYDXJAH-ZIAGYGMSSA-N 0 3 356.451 2.073 20 30 FEEDHN CC(C)NC(=O)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786531471 682384388 /nfs/dbraw/zinc/38/43/88/682384388.db2.gz POPOYJJFNSZEIO-HNNXBMFYSA-N 0 3 363.845 2.360 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000972339439 682407455 /nfs/dbraw/zinc/40/74/55/682407455.db2.gz FUINOUMCOIEJSL-GDBMZVCRSA-N 0 3 367.921 2.309 20 30 FEEDHN COC(=O)[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000787327228 682450892 /nfs/dbraw/zinc/45/08/92/682450892.db2.gz ZGMZTLBCYSHSFV-JHJVBQTASA-N 0 3 357.435 2.356 20 30 FEEDHN COC(=O)CCN1CCC(N=Nc2nc3cc(F)c(F)cc3[nH]2)CC1 ZINC000788709567 682552715 /nfs/dbraw/zinc/55/27/15/682552715.db2.gz MOJOZKXNSYEBBR-UHFFFAOYSA-N 0 3 351.357 2.268 20 30 FEEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000790542521 682684614 /nfs/dbraw/zinc/68/46/14/682684614.db2.gz KAGJBNHEFPQBQG-CVEARBPZSA-N 0 3 352.356 2.036 20 30 FEEDHN Cc1nnc(COCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000796778161 683194825 /nfs/dbraw/zinc/19/48/25/683194825.db2.gz FXQVTCMIXRRNKC-LBPRGKRZSA-N 0 3 364.814 2.364 20 30 FEEDHN CSc1ccc(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)cc1C#N ZINC000919883175 683305633 /nfs/dbraw/zinc/30/56/33/683305633.db2.gz QEIOXQFWDSNURZ-KRWDZBQOSA-N 0 3 365.524 2.185 20 30 FEEDHN N#CC[C@@H](O)CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000929926230 683657241 /nfs/dbraw/zinc/65/72/41/683657241.db2.gz IDJFCELTCDKKNY-OAHLLOKOSA-N 0 3 366.259 2.374 20 30 FEEDHN Cc1cc(CNC(=S)N(CCN(C)C)Cc2cccc(C#N)c2)no1 ZINC000865229855 683952435 /nfs/dbraw/zinc/95/24/35/683952435.db2.gz GVEQWCDHDGHTQE-UHFFFAOYSA-N 0 3 357.483 2.293 20 30 FEEDHN CN1CCC(NC(=S)NC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000865251656 683957119 /nfs/dbraw/zinc/95/71/19/683957119.db2.gz WQFXAVOGAKVHES-UHFFFAOYSA-N 0 3 357.527 2.085 20 30 FEEDHN COCCN(CC1CCN(C)CC1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000867580498 684320249 /nfs/dbraw/zinc/32/02/49/684320249.db2.gz BPAMPPBYEHSFCT-UHFFFAOYSA-N 0 3 371.547 2.080 20 30 FEEDHN CN1CCC(CNS(=O)(=O)CC2(CC#N)CC2)(c2ccccc2)CC1 ZINC000867705817 684356263 /nfs/dbraw/zinc/35/62/63/684356263.db2.gz MDEMGUINCWAQMX-UHFFFAOYSA-N 0 3 361.511 2.263 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000932087578 684404782 /nfs/dbraw/zinc/40/47/82/684404782.db2.gz QMFFXDKJJCKQDJ-UHFFFAOYSA-N 0 3 351.760 2.169 20 30 FEEDHN COCCn1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000870143794 684687333 /nfs/dbraw/zinc/68/73/33/684687333.db2.gz YJWBOJJZXJUEGI-LBPRGKRZSA-N 0 3 364.764 2.283 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000870308211 684704304 /nfs/dbraw/zinc/70/43/04/684704304.db2.gz ILELCURTJOICMK-LXZKKBNFSA-N 0 3 364.829 2.107 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000870308213 684704328 /nfs/dbraw/zinc/70/43/28/684704328.db2.gz ILELCURTJOICMK-UNEWFSDZSA-N 0 3 364.829 2.107 20 30 FEEDHN CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)c1ccccc1 ZINC000872252666 684932332 /nfs/dbraw/zinc/93/23/32/684932332.db2.gz VIHMNFVCQHYVRJ-MOPGFXCFSA-N 0 3 358.463 2.434 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](C)NCC)nc1C ZINC000876574333 686222281 /nfs/dbraw/zinc/22/22/81/686222281.db2.gz CCBOFVKYANZCOZ-VIFPVBQESA-N 0 3 352.489 2.121 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000876605491 686227199 /nfs/dbraw/zinc/22/71/99/686227199.db2.gz VMOGEEZDROZDQQ-QGZVFWFLSA-N 0 3 363.889 2.196 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000876607822 686228035 /nfs/dbraw/zinc/22/80/35/686228035.db2.gz QRTKGDDAEYMQSS-LSDHHAIUSA-N 0 3 354.834 2.276 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000876631996 686233202 /nfs/dbraw/zinc/23/32/02/686233202.db2.gz PCKWMDOGQWAJFB-ZIAGYGMSSA-N 0 3 354.813 2.018 20 30 FEEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000882768873 687480751 /nfs/dbraw/zinc/48/07/51/687480751.db2.gz XBOBRMPXXSCFIO-UHFFFAOYSA-N 0 3 353.875 2.461 20 30 FEEDHN CCN1CCCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883084124 687559507 /nfs/dbraw/zinc/55/95/07/687559507.db2.gz HRKIJKDERMAQOG-UHFFFAOYSA-N 0 3 352.236 2.275 20 30 FEEDHN C[C@@H](NCC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000883299885 687602654 /nfs/dbraw/zinc/60/26/54/687602654.db2.gz IDMBOFWHGRUWCJ-CQSZACIVSA-N 0 3 365.499 2.490 20 30 FEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](N)CCOC ZINC000884116045 687793237 /nfs/dbraw/zinc/79/32/37/687793237.db2.gz KVDZTIHREOZXEL-AWEZNQCLSA-N 0 3 359.239 2.467 20 30 FEEDHN C#CCN(C(=O)c1ccc2c(c1)NC(=O)CCS2)C1CCN(C)CC1 ZINC000886587091 688280301 /nfs/dbraw/zinc/28/03/01/688280301.db2.gz GMZYSRJHBVQRKL-UHFFFAOYSA-N 0 3 357.479 2.291 20 30 FEEDHN COC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCOC1 ZINC000886910903 688339523 /nfs/dbraw/zinc/33/95/23/688339523.db2.gz XNDVJNPEIRXLHG-XJKSGUPXSA-N 0 3 351.834 2.181 20 30 FEEDHN COC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCCOC1 ZINC000886913658 688340032 /nfs/dbraw/zinc/34/00/32/688340032.db2.gz HOILGGRZBKXCHQ-UKRRQHHQSA-N 0 3 351.472 2.206 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(S(=O)(=O)N(C)C)CC2)c([O-])c1 ZINC000887272784 688397295 /nfs/dbraw/zinc/39/72/95/688397295.db2.gz VOKCIZUFXGOZPZ-LDADJPATSA-N 0 3 353.488 2.081 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC000892466055 689200405 /nfs/dbraw/zinc/20/04/05/689200405.db2.gz XDJAKMPJSMOHEC-HZPDHXFCSA-N 0 3 350.459 2.368 20 30 FEEDHN C#CCC1(O)CCN(C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000895670848 689752297 /nfs/dbraw/zinc/75/22/97/689752297.db2.gz WNPMHFRXSMGPBO-HNNXBMFYSA-N 0 3 352.475 2.209 20 30 FEEDHN C[C@](O)(CN[C@H]1CCCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F ZINC000905183737 691076858 /nfs/dbraw/zinc/07/68/58/691076858.db2.gz UXPBFSDLGDEITR-CBAPKCEASA-N 0 3 372.256 2.078 20 30 FEEDHN N#Cc1cnc(Cl)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870885 721053111 /nfs/dbraw/zinc/05/31/11/721053111.db2.gz WZQQWQAZUBVRGX-IAGOWNOFSA-N 0 3 369.856 2.481 20 30 FEEDHN N#Cc1cnc(Cl)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870883 721053748 /nfs/dbraw/zinc/05/37/48/721053748.db2.gz WZQQWQAZUBVRGX-DLBZAZTESA-N 0 3 369.856 2.481 20 30 FEEDHN Cc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(C=NO)c1 ZINC001164877040 721123294 /nfs/dbraw/zinc/12/32/94/721123294.db2.gz OFEXVUDMUYUOPJ-RTBURBONSA-N 0 3 367.453 2.073 20 30 FEEDHN CN(CCC(=O)NC(=O)NCc1ccccc1)Cc1cccc(C#N)c1 ZINC000026329072 539784255 /nfs/dbraw/zinc/78/42/55/539784255.db2.gz URTCXGNWJDSQQF-UHFFFAOYSA-N 0 3 350.422 2.406 20 30 FEEDHN Cc1n[nH]cc1CCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000045539355 540216710 /nfs/dbraw/zinc/21/67/10/540216710.db2.gz BSQVUZABEKPOPB-UHFFFAOYSA-N 0 3 368.485 2.296 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000047010948 540284551 /nfs/dbraw/zinc/28/45/51/540284551.db2.gz QTOYLDUWXFZPNI-FQEVSTJZSA-N 0 3 365.433 2.288 20 30 FEEDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000051053217 540420102 /nfs/dbraw/zinc/42/01/02/540420102.db2.gz KVOUWBUQTCPQMC-UHOSZYNNSA-N 0 3 373.497 2.315 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCCC2)c1 ZINC000067375396 541451719 /nfs/dbraw/zinc/45/17/19/541451719.db2.gz KJRWSMINKIFYRE-GOSISDBHSA-N 0 3 359.470 2.427 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000067397800 541456481 /nfs/dbraw/zinc/45/64/81/541456481.db2.gz AXSNUUOWUWEMIM-QWHCGFSZSA-N 0 3 362.861 2.387 20 30 FEEDHN CC(=O)NC[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000067414835 541459749 /nfs/dbraw/zinc/45/97/49/541459749.db2.gz OJWXHSXZXJMBAT-CQSZACIVSA-N 0 3 362.861 2.388 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCN1C ZINC000542838645 541484490 /nfs/dbraw/zinc/48/44/90/541484490.db2.gz MWMDCBAFBLDSGZ-CHWSQXEVSA-N 0 3 356.405 2.487 20 30 FEEDHN Cc1noc(C)c1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000067761105 541509524 /nfs/dbraw/zinc/50/95/24/541509524.db2.gz ZYTFCAOZVGZTIH-UHFFFAOYSA-N 0 3 355.442 2.437 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(C)CC1 ZINC000067764221 541510053 /nfs/dbraw/zinc/51/00/53/541510053.db2.gz CUVPKUJQZOLMBF-CYBMUJFWSA-N 0 3 362.861 2.387 20 30 FEEDHN Cc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000068038682 541541146 /nfs/dbraw/zinc/54/11/46/541541146.db2.gz GCCSCGUZJLSWTE-UHFFFAOYSA-N 0 3 370.478 2.419 20 30 FEEDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cccc(C#N)c1 ZINC000068239980 541566817 /nfs/dbraw/zinc/56/68/17/541566817.db2.gz MEXDVDDAWUNYNY-SFHVURJKSA-N 0 3 357.454 2.438 20 30 FEEDHN COC(=O)COc1cccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000069345931 541679922 /nfs/dbraw/zinc/67/99/22/541679922.db2.gz IEBXEJCLSOXTNY-OAHLLOKOSA-N 0 3 368.393 2.046 20 30 FEEDHN COCCN(C)CCCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000073721192 541990917 /nfs/dbraw/zinc/99/09/17/541990917.db2.gz GXAPKFCJZNUJJU-OALUTQOASA-N 0 3 358.486 2.436 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000076389802 542272171 /nfs/dbraw/zinc/27/21/71/542272171.db2.gz JEKFFQYYXLCNQA-IBGZPJMESA-N 0 3 353.510 2.455 20 30 FEEDHN C=CCCCN(C)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000076736139 542319272 /nfs/dbraw/zinc/31/92/72/542319272.db2.gz LDZOWJAGYKQVPX-NSHDSACASA-N 0 3 357.376 2.445 20 30 FEEDHN N#CCCn1cc(CNC[C@H](O)C2CCOCC2)c(-c2ccccc2)n1 ZINC000076907263 542329142 /nfs/dbraw/zinc/32/91/42/542329142.db2.gz RIOYGODUBNNIDA-IBGZPJMESA-N 0 3 354.454 2.341 20 30 FEEDHN CN1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000077452798 542384119 /nfs/dbraw/zinc/38/41/19/542384119.db2.gz LERWITFSEXMXBD-BLGFXRMMSA-N 0 3 352.482 2.057 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)CC1 ZINC000078331668 542455600 /nfs/dbraw/zinc/45/56/00/542455600.db2.gz UWANISDWPJZQAR-IBGZPJMESA-N 0 3 365.518 2.397 20 30 FEEDHN N#Cc1ccsc1N1CC[C@H](OC(=O)C2CCN(C3CC3)CC2)C1=O ZINC000801873429 674153523 /nfs/dbraw/zinc/15/35/23/674153523.db2.gz SMHRVZFLWXMBRQ-HNNXBMFYSA-N 0 3 359.451 2.143 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2nccn2CCc2ccccc2)CC1 ZINC000081930180 542680250 /nfs/dbraw/zinc/68/02/50/542680250.db2.gz WHEOSIKUBLRVBT-UHFFFAOYSA-N 0 3 350.466 2.087 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)CC1 ZINC000083655154 542699506 /nfs/dbraw/zinc/69/95/06/542699506.db2.gz OZLQGTRCFGQBFF-GOSISDBHSA-N 0 3 351.491 2.006 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)CC1 ZINC000089212232 542758839 /nfs/dbraw/zinc/75/88/39/542758839.db2.gz UBRRRKCUQSQHKY-OAHLLOKOSA-N 0 3 351.491 2.258 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(C)C ZINC000102962986 543086903 /nfs/dbraw/zinc/08/69/03/543086903.db2.gz KMCWAMWWWKEDKK-GOSISDBHSA-N 0 3 372.444 2.451 20 30 FEEDHN N#Cc1ccc(CON=C(N)c2ccccc2CN2CCC(O)CC2)cc1 ZINC000104054413 543121409 /nfs/dbraw/zinc/12/14/09/543121409.db2.gz MRDXOHGJRFGUOS-UHFFFAOYSA-N 0 3 364.449 2.352 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 ZINC000106036120 543186131 /nfs/dbraw/zinc/18/61/31/543186131.db2.gz KDPCXHOIXPSTPM-UHFFFAOYSA-N 0 3 368.481 2.322 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000106039521 543187037 /nfs/dbraw/zinc/18/70/37/543187037.db2.gz BGUHGOVXEUZQCN-UHFFFAOYSA-N 0 3 361.398 2.152 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000247451446 549335462 /nfs/dbraw/zinc/33/54/62/549335462.db2.gz QGTFLOYDWFXLTF-GUYCJALGSA-N 0 3 368.485 2.092 20 30 FEEDHN CNC(=O)[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000111267318 543390761 /nfs/dbraw/zinc/39/07/61/543390761.db2.gz GSDPJQVVGBUSLC-CYBMUJFWSA-N 0 3 374.510 2.285 20 30 FEEDHN C[C@H](Nc1cccc(N2CCN(CC3CC3)CC2)c1)C(=O)N(C)CCC#N ZINC000112535405 543450621 /nfs/dbraw/zinc/45/06/21/543450621.db2.gz PDWRJDRGJKLPDT-KRWDZBQOSA-N 0 3 369.513 2.391 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NCCN3CCCC[C@@H]3CC)cc2C1=O ZINC000113199026 543476765 /nfs/dbraw/zinc/47/67/65/543476765.db2.gz DOCYYADPFNZUKW-INIZCTEOSA-N 0 3 369.465 2.463 20 30 FEEDHN C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000117074391 543622770 /nfs/dbraw/zinc/62/27/70/543622770.db2.gz FXTUCPJJPWLTAF-INIZCTEOSA-N 0 3 370.497 2.238 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000118100861 543644415 /nfs/dbraw/zinc/64/44/15/543644415.db2.gz ICSFLRSNPMUGLJ-BBRMVZONSA-N 0 3 374.510 2.476 20 30 FEEDHN N#Cc1ccc2ncc(CNCCN3CCN(Cc4ccccc4)CC3)n2c1 ZINC000123178764 543746521 /nfs/dbraw/zinc/74/65/21/543746521.db2.gz DQAQMYMQVDBPNP-UHFFFAOYSA-N 0 3 374.492 2.113 20 30 FEEDHN CCC(CC)[C@H](CNCc1cnc2ccc(C#N)cn12)N1CCOCC1 ZINC000123256192 543751442 /nfs/dbraw/zinc/75/14/42/543751442.db2.gz OSBCQGZYJMGETE-IBGZPJMESA-N 0 3 355.486 2.433 20 30 FEEDHN C=CCOc1ccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1OC ZINC000124483564 543824891 /nfs/dbraw/zinc/82/48/91/543824891.db2.gz SRQRAGCDBQKBCA-GOSISDBHSA-N 0 3 374.481 2.331 20 30 FEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(C)(C)CN1CCOCC1 ZINC000124202686 543806341 /nfs/dbraw/zinc/80/63/41/543806341.db2.gz WFXRMGGAUMJPOY-QGZVFWFLSA-N 0 3 364.534 2.008 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)CC(C)(C)CN2CCOCC2)CC1 ZINC000125836105 543904562 /nfs/dbraw/zinc/90/45/62/543904562.db2.gz BIVMHTBGICKVPL-UHFFFAOYSA-N 0 3 366.550 2.027 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)CN1C1CC1 ZINC000127901966 544021038 /nfs/dbraw/zinc/02/10/38/544021038.db2.gz GWWNTMNYZDFVOG-FUHWJXTLSA-N 0 3 367.497 2.405 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131143695 544178401 /nfs/dbraw/zinc/17/84/01/544178401.db2.gz IRESTMQBKKFRJY-QGZVFWFLSA-N 0 3 352.500 2.355 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000132200508 544222812 /nfs/dbraw/zinc/22/28/12/544222812.db2.gz ZWGSSQIRTVMOMS-GOSISDBHSA-N 0 3 367.449 2.235 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000133418019 544269248 /nfs/dbraw/zinc/26/92/48/544269248.db2.gz VCEWRWMROMICEQ-XHSDSOJGSA-N 0 3 370.453 2.001 20 30 FEEDHN CCNC(=O)N1CC[C@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000152676492 544682275 /nfs/dbraw/zinc/68/22/75/544682275.db2.gz GCXBNPGUTMMGSP-SFHVURJKSA-N 0 3 366.469 2.357 20 30 FEEDHN CCNC(=O)N1CC[C@H](NCc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000152686635 544683526 /nfs/dbraw/zinc/68/35/26/544683526.db2.gz UWWJCEJPKGHIRO-INIZCTEOSA-N 0 3 360.458 2.271 20 30 FEEDHN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153267441 544753770 /nfs/dbraw/zinc/75/37/70/544753770.db2.gz WNQRDVAWHWAXRU-ZIAGYGMSSA-N 0 3 366.469 2.094 20 30 FEEDHN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153291105 544757464 /nfs/dbraw/zinc/75/74/64/544757464.db2.gz DZEYCEJDUYQDAD-HUUCEWRRSA-N 0 3 368.485 2.036 20 30 FEEDHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000154793200 544950839 /nfs/dbraw/zinc/95/08/39/544950839.db2.gz XOZQLXMIUXYVFO-UHFFFAOYSA-N 0 3 366.421 2.309 20 30 FEEDHN Cn1cc(CNCCC(=O)N2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180061383 327669481 /nfs/dbraw/zinc/66/94/81/327669481.db2.gz FHGMOVWEOYYEDQ-UHFFFAOYSA-N 0 3 351.454 2.451 20 30 FEEDHN CCOC(=O)C1CCN(C(=O)C[C@H](C)NCc2cccc(C#N)c2)CC1 ZINC000183409449 327816029 /nfs/dbraw/zinc/81/60/29/327816029.db2.gz ZGLAMTMLVKLSFK-HNNXBMFYSA-N 0 3 357.454 2.228 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc2ccccn2n1 ZINC000184372454 327864394 /nfs/dbraw/zinc/86/43/94/327864394.db2.gz OHRUNIDNTDPAMW-UHFFFAOYSA-N 0 3 363.425 2.197 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188398827 328084416 /nfs/dbraw/zinc/08/44/16/328084416.db2.gz RXXIRROYUXAYQA-UHFFFAOYSA-N 0 3 367.409 2.253 20 30 FEEDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(F)c(C#N)c2)o1 ZINC000189370920 328143927 /nfs/dbraw/zinc/14/39/27/328143927.db2.gz BXOHRXUOECVAHD-UHFFFAOYSA-N 0 3 372.400 2.128 20 30 FEEDHN COC[C@H](Cc1ccccc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000191501077 328268757 /nfs/dbraw/zinc/26/87/57/328268757.db2.gz XFSKWVRVFJUTDK-VQTJNVASSA-N 0 3 354.450 2.487 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000048622634 324668667 /nfs/dbraw/zinc/66/86/67/324668667.db2.gz HKXWKCJSKQPGGV-UHFFFAOYSA-N 0 3 362.433 2.278 20 30 FEEDHN CC(C)(CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCCCC1 ZINC000052499200 324716366 /nfs/dbraw/zinc/71/63/66/324716366.db2.gz AAUIVVCPWNNQTN-UHFFFAOYSA-N 0 3 370.501 2.049 20 30 FEEDHN COc1ccc(CNC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1C#N ZINC000089799483 325333833 /nfs/dbraw/zinc/33/38/33/325333833.db2.gz HAFBPDHAWRQVHO-WOJBJXKFSA-N 0 3 351.450 2.292 20 30 FEEDHN CS(=O)(=O)Nc1ccc(OCCNCc2cc(C#N)cs2)cc1 ZINC000091069827 325372226 /nfs/dbraw/zinc/37/22/26/325372226.db2.gz LWFSDHKNEZNYRP-UHFFFAOYSA-N 0 3 351.453 2.160 20 30 FEEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000102962823 325502718 /nfs/dbraw/zinc/50/27/18/325502718.db2.gz VCRQEUVJJHZDNA-KRWDZBQOSA-N 0 3 360.433 2.263 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000120511570 326264619 /nfs/dbraw/zinc/26/46/19/326264619.db2.gz JXZBYYGTHHTJNT-UHFFFAOYSA-N 0 3 372.488 2.464 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000122191119 326387557 /nfs/dbraw/zinc/38/75/57/326387557.db2.gz FEDNDLZBBCUYCE-KRWDZBQOSA-N 0 3 374.554 2.181 20 30 FEEDHN CN(CC1CCN(c2ccncc2)CC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000165944228 327080071 /nfs/dbraw/zinc/08/00/71/327080071.db2.gz DHPJBQAUIFTNGM-UHFFFAOYSA-N 0 3 370.478 2.490 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](OCCO)C2)cc1Cl ZINC000172295734 327193570 /nfs/dbraw/zinc/19/35/70/327193570.db2.gz GBBLMAMZKILVCW-OAHLLOKOSA-N 0 3 351.834 2.014 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)C1CCCCC1 ZINC000265222507 329103961 /nfs/dbraw/zinc/10/39/61/329103961.db2.gz ABOTYMYHYBNGJT-UHFFFAOYSA-N 0 3 370.497 2.145 20 30 FEEDHN COCCN1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000265998465 329180448 /nfs/dbraw/zinc/18/04/48/329180448.db2.gz RDHPIIVOTDVJDU-LBPRGKRZSA-N 0 3 354.357 2.002 20 30 FEEDHN CCNC(=O)COc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000266247158 329204494 /nfs/dbraw/zinc/20/44/94/329204494.db2.gz ZBQXIIKZDMTGTR-UHFFFAOYSA-N 0 3 353.422 2.372 20 30 FEEDHN C[C@@H](NCCCOc1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 ZINC000272131150 329754528 /nfs/dbraw/zinc/75/45/28/329754528.db2.gz SIZHSJJSTGJUMT-CQSZACIVSA-N 0 3 359.451 2.325 20 30 FEEDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000276176189 330126519 /nfs/dbraw/zinc/12/65/19/330126519.db2.gz LOYFBUNPEURHOX-ZIAGYGMSSA-N 0 3 360.845 2.235 20 30 FEEDHN CC(C)N1CCN(c2ccc(C#N)c(N3CCN(C(C)C)CC3)n2)CC1 ZINC000276459474 330154127 /nfs/dbraw/zinc/15/41/27/330154127.db2.gz MSXRKQYEHOLETA-UHFFFAOYSA-N 0 3 356.518 2.014 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000367186828 330227558 /nfs/dbraw/zinc/22/75/58/330227558.db2.gz PXLWMFNXMTUHGP-KBXCAEBGSA-N 0 3 359.449 2.187 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)cc(C(=O)OC)c2O)CC1 ZINC000804900688 674305695 /nfs/dbraw/zinc/30/56/95/674305695.db2.gz GMMNWWJEUKYZLY-UHFFFAOYSA-N 0 3 350.802 2.116 20 30 FEEDHN C=CCCCCCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000806003569 674363182 /nfs/dbraw/zinc/36/31/82/674363182.db2.gz KTMJWJNRWYAZGZ-UHFFFAOYSA-N 0 3 350.507 2.073 20 30 FEEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1)[C@H]1CCCN(C)C1 ZINC000155511209 545535932 /nfs/dbraw/zinc/53/59/32/545535932.db2.gz QOYVRYGKOACKJJ-KRWDZBQOSA-N 0 3 365.437 2.305 20 30 FEEDHN CN(C)CCOc1ccc(CNC(=O)CNc2cccc(C#N)c2)cc1 ZINC000157767513 545781265 /nfs/dbraw/zinc/78/12/65/545781265.db2.gz HUKIPOUBVKLQLP-UHFFFAOYSA-N 0 3 352.438 2.227 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NC2CCN(CCN(C)C)CC2)cc1C#N ZINC000157862216 545794513 /nfs/dbraw/zinc/79/45/13/545794513.db2.gz ZYCBHKFWVONMGJ-UHFFFAOYSA-N 0 3 373.501 2.493 20 30 FEEDHN C[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000478167239 561161257 /nfs/dbraw/zinc/16/12/57/561161257.db2.gz IILSRXITYVEFSX-AWEZNQCLSA-N 0 3 353.463 2.381 20 30 FEEDHN Cc1sc(NC(=O)CN2CCN(c3ccncc3)CC2)c(C#N)c1C ZINC000161308337 546119397 /nfs/dbraw/zinc/11/93/97/546119397.db2.gz PXTJSCFJFLSSTA-UHFFFAOYSA-N 0 3 355.467 2.392 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCCc2nnc3n2CCCCC3)CC1 ZINC000171559128 546213853 /nfs/dbraw/zinc/21/38/53/546213853.db2.gz MNCKTRIEWNLPEB-UHFFFAOYSA-N 0 3 374.533 2.277 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](C)N2CCc3sccc3C2)CC1 ZINC000171715828 546220735 /nfs/dbraw/zinc/22/07/35/546220735.db2.gz OCPFNCNCEXXBMI-HNNXBMFYSA-N 0 3 362.543 2.444 20 30 FEEDHN C=CCN1CCC(NC(=O)CCCOc2ccc(C#N)cc2OC)CC1 ZINC000171718400 546220864 /nfs/dbraw/zinc/22/08/64/546220864.db2.gz IFTLOZHUYHMGII-UHFFFAOYSA-N 0 3 357.454 2.492 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)NC)c(Cl)c2)CC1 ZINC000171739058 546223122 /nfs/dbraw/zinc/22/31/22/546223122.db2.gz ITPRESBIBUVZRX-UHFFFAOYSA-N 0 3 350.850 2.472 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000172291597 546245044 /nfs/dbraw/zinc/24/50/44/546245044.db2.gz BTAZYQKXDQHZJT-OAQYLSRUSA-N 0 3 355.482 2.448 20 30 FEEDHN C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CN1CCN(C)CC1 ZINC000175792948 546352058 /nfs/dbraw/zinc/35/20/58/546352058.db2.gz ADWGBVAYZGCVFU-KRWDZBQOSA-N 0 3 369.513 2.116 20 30 FEEDHN CCN(CCCN1CCCC1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480711196 561214927 /nfs/dbraw/zinc/21/49/27/561214927.db2.gz PYTWWASLKWFDOP-UHFFFAOYSA-N 0 3 353.463 2.335 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(-c3nc(C)co3)c2)CC1 ZINC000177326211 546595409 /nfs/dbraw/zinc/59/54/09/546595409.db2.gz ZBIBKPPKEQKHQD-UHFFFAOYSA-N 0 3 368.437 2.355 20 30 FEEDHN COc1cc(CNC(=O)c2cc(C#N)cs2)ccc1OCCN(C)C ZINC000177452659 546621254 /nfs/dbraw/zinc/62/12/54/546621254.db2.gz QUQKNDHNSNGJIS-UHFFFAOYSA-N 0 3 359.451 2.499 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCOc2ncccc2C(F)(F)F)CC1 ZINC000179083261 546897496 /nfs/dbraw/zinc/89/74/96/546897496.db2.gz OJEXWTHOQTXKPF-UHFFFAOYSA-N 0 3 372.391 2.429 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000180902772 547206280 /nfs/dbraw/zinc/20/62/80/547206280.db2.gz DAGZSOQZYSBNAR-OAHLLOKOSA-N 0 3 350.422 2.133 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCSC2)cc1 ZINC000483460943 561277516 /nfs/dbraw/zinc/27/75/16/561277516.db2.gz RIGVVUPMLGRJMM-NWDGAFQWSA-N 0 3 353.469 2.247 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)N1CCC(C)CC1 ZINC000181751926 547373913 /nfs/dbraw/zinc/37/39/13/547373913.db2.gz NEABUQJVIHWYFQ-CVEARBPZSA-N 0 3 372.469 2.153 20 30 FEEDHN CC1(C)[C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@@H]21 ZINC000182797993 547554200 /nfs/dbraw/zinc/55/42/00/547554200.db2.gz LNTOFHJLUBJDRZ-XHSDSOJGSA-N 0 3 358.511 2.045 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccccc2-c2nnnn2C(C)C)CC1 ZINC000184569282 547847749 /nfs/dbraw/zinc/84/77/49/547847749.db2.gz FRXMDLCEDSQJER-UHFFFAOYSA-N 0 3 352.442 2.205 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000185797477 548036342 /nfs/dbraw/zinc/03/63/42/548036342.db2.gz PPTPWQZJCOLYAL-INIZCTEOSA-N 0 3 363.483 2.110 20 30 FEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000186717839 548179622 /nfs/dbraw/zinc/17/96/22/548179622.db2.gz QEQMFPYCXKAJCO-GOEBONIOSA-N 0 3 364.467 2.346 20 30 FEEDHN C=C(C)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000187755267 548262636 /nfs/dbraw/zinc/26/26/36/548262636.db2.gz UAECMWXPPBISIK-CZUORRHYSA-N 0 3 352.341 2.337 20 30 FEEDHN C=C(C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000187755248 548262763 /nfs/dbraw/zinc/26/27/63/548262763.db2.gz UAECMWXPPBISIK-CJNGLKHVSA-N 0 3 352.341 2.337 20 30 FEEDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000190066203 548316635 /nfs/dbraw/zinc/31/66/35/548316635.db2.gz CGHZJYRNWSZNAE-OKZBNKHCSA-N 0 3 366.575 2.333 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247142210 549290823 /nfs/dbraw/zinc/29/08/23/549290823.db2.gz YAFYDFMNDPVIQI-LAUBAEHRSA-N 0 3 354.498 2.391 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O ZINC000247190887 549297192 /nfs/dbraw/zinc/29/71/92/549297192.db2.gz ODZQYNWAKVILQX-IRXDYDNUSA-N 0 3 354.454 2.138 20 30 FEEDHN CN(C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000489118194 561403862 /nfs/dbraw/zinc/40/38/62/561403862.db2.gz SHVMPDNUXIVCGE-QGZVFWFLSA-N 0 3 353.463 2.486 20 30 FEEDHN Cc1ncc(S(=O)(=O)N(C)CCN(C)C2CCCCC2)cc1C#N ZINC000489254212 561406593 /nfs/dbraw/zinc/40/65/93/561406593.db2.gz MZTSTXVGDQIVQF-UHFFFAOYSA-N 0 3 350.488 2.147 20 30 FEEDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000249112890 549554176 /nfs/dbraw/zinc/55/41/76/549554176.db2.gz AWTGBWBJXOOBJC-YOEHRIQHSA-N 0 3 354.454 2.121 20 30 FEEDHN C#CCN1CCC(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000263814213 549941080 /nfs/dbraw/zinc/94/10/80/549941080.db2.gz OVIHGYNNCNDDLG-UHFFFAOYSA-N 0 3 361.873 2.438 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)CC1 ZINC000264285777 549993954 /nfs/dbraw/zinc/99/39/54/549993954.db2.gz VFAMPUXUDUNPDO-KRWDZBQOSA-N 0 3 355.482 2.364 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000264411744 549996120 /nfs/dbraw/zinc/99/61/20/549996120.db2.gz RCBDLYGCNAGQKB-UHFFFAOYSA-N 0 3 370.497 2.419 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](COCCOC)C1)C(C)C ZINC000266650831 550022484 /nfs/dbraw/zinc/02/24/84/550022484.db2.gz HAPNEMDCFZCNOT-MOPGFXCFSA-N 0 3 367.534 2.380 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000267002614 550026558 /nfs/dbraw/zinc/02/65/58/550026558.db2.gz IADKLJGOOHXIIZ-GOSISDBHSA-N 0 3 370.497 2.118 20 30 FEEDHN CN(C)CCNC(=O)c1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000269470555 550199569 /nfs/dbraw/zinc/19/95/69/550199569.db2.gz ZXQDBLQWAVBBIO-UHFFFAOYSA-N 0 3 354.429 2.279 20 30 FEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1OC ZINC000270551704 550283078 /nfs/dbraw/zinc/28/30/78/550283078.db2.gz ZNNUYMAGEYOJFA-PBHICJAKSA-N 0 3 350.484 2.378 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](CO)c2ccccc2Cl)CC1 ZINC000494120495 561462859 /nfs/dbraw/zinc/46/28/59/561462859.db2.gz RJPCWENGQAAXRZ-CQSZACIVSA-N 0 3 351.878 2.366 20 30 FEEDHN C#CCCCCC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000271346251 550366969 /nfs/dbraw/zinc/36/69/69/550366969.db2.gz DLXQAEMLNVAZGI-UHFFFAOYSA-N 0 3 357.498 2.469 20 30 FEEDHN COCc1cc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)ccc1OC ZINC000271445016 550376048 /nfs/dbraw/zinc/37/60/48/550376048.db2.gz HCPGSMBBCYERQJ-UNQMGURYSA-N 0 3 359.426 2.019 20 30 FEEDHN COc1cc(C)c([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000271514004 550381482 /nfs/dbraw/zinc/38/14/82/550381482.db2.gz SZAJINRXVJDEFS-UNQMGURYSA-N 0 3 359.426 2.189 20 30 FEEDHN C#CC[C@H](NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000271658828 550393079 /nfs/dbraw/zinc/39/30/79/550393079.db2.gz CZJFRXLTQZQIGT-FQEVSTJZSA-N 0 3 362.477 2.475 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@]1(C)CCO[C@H]1C ZINC000494256359 561465771 /nfs/dbraw/zinc/46/57/71/561465771.db2.gz IPQUWONZBGINPJ-KXBFYZLASA-N 0 3 362.474 2.109 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1 ZINC000272455899 550449867 /nfs/dbraw/zinc/44/98/67/550449867.db2.gz JYMAXLAEAXAMSJ-PKOBYXMFSA-N 0 3 368.481 2.266 20 30 FEEDHN O=C(NCC#Cc1ccccc1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272747773 550468662 /nfs/dbraw/zinc/46/86/62/550468662.db2.gz ICCVKWDICVAABT-OAQYLSRUSA-N 0 3 363.461 2.104 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](OCCOC)C1)C(C)C ZINC000275526292 550572697 /nfs/dbraw/zinc/57/26/97/550572697.db2.gz BEIGCDLPNBXAKL-MSOLQXFVSA-N 0 3 353.507 2.132 20 30 FEEDHN CN(C)[C@@]1(CNC(=O)Nc2ncccc2OCCCC#N)CCSC1 ZINC000276082704 550576412 /nfs/dbraw/zinc/57/64/12/550576412.db2.gz OIRKBLWZQXWHGG-QGZVFWFLSA-N 0 3 363.487 2.323 20 30 FEEDHN CC[C@@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278395798 550780760 /nfs/dbraw/zinc/78/07/60/550780760.db2.gz FDAQXAXCXYJCLT-QZTJIDSGSA-N 0 3 365.499 2.087 20 30 FEEDHN Cc1oc(NC(=O)[C@H](C)N2CCN(C3CCOCC3)C[C@H]2C)c(C#N)c1C ZINC000278616143 550804601 /nfs/dbraw/zinc/80/46/01/550804601.db2.gz JLYWHUGCOXTHCV-HIFRSBDPSA-N 0 3 374.485 2.280 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000278751024 550818267 /nfs/dbraw/zinc/81/82/67/550818267.db2.gz XBXFAZLAQWDRGI-OLZOCXBDSA-N 0 3 365.455 2.404 20 30 FEEDHN N#Cc1cc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)ccc1F ZINC000278801756 550823420 /nfs/dbraw/zinc/82/34/20/550823420.db2.gz PTTLBLYJIAMPHB-GOSISDBHSA-N 0 3 353.397 2.194 20 30 FEEDHN C#CCC(CC#C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000278908950 550834894 /nfs/dbraw/zinc/83/48/94/550834894.db2.gz QNXJBQHBDNJINT-UHFFFAOYSA-N 0 3 351.494 2.368 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000279208419 550865191 /nfs/dbraw/zinc/86/51/91/550865191.db2.gz LXGSUEJQCGSCHB-INIZCTEOSA-N 0 3 371.485 2.140 20 30 FEEDHN CCCC(=O)NC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279393843 550885149 /nfs/dbraw/zinc/88/51/49/550885149.db2.gz ACVNUPAQRTWNLP-RTBURBONSA-N 0 3 366.465 2.395 20 30 FEEDHN COCCCN(CCOC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279411038 550887325 /nfs/dbraw/zinc/88/73/25/550887325.db2.gz NTFPHPRCKYDHMR-UHFFFAOYSA-N 0 3 357.458 2.344 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000279723024 550921418 /nfs/dbraw/zinc/92/14/18/550921418.db2.gz MROMKANMOWJGDG-FQEVSTJZSA-N 0 3 372.428 2.225 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000280172603 550967890 /nfs/dbraw/zinc/96/78/90/550967890.db2.gz CKMBFCOWZHLBRQ-MBOZVWFJSA-N 0 3 368.481 2.246 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(C)C ZINC000496013454 561491731 /nfs/dbraw/zinc/49/17/31/561491731.db2.gz ITCWIKUZNUOXFE-JTDSTZFVSA-N 0 3 365.543 2.255 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C ZINC000280776188 551031065 /nfs/dbraw/zinc/03/10/65/551031065.db2.gz DRHVSFWNERLJAT-VKJFTORMSA-N 0 3 352.438 2.146 20 30 FEEDHN CCOC(=O)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280863752 551040397 /nfs/dbraw/zinc/04/03/97/551040397.db2.gz QSVWAFYGPYJZDO-GOSISDBHSA-N 0 3 353.422 2.432 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282489975 551236215 /nfs/dbraw/zinc/23/62/15/551236215.db2.gz HQPXDNAEIFKOOS-LJQANCHMSA-N 0 3 374.872 2.287 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C(C)C)N2CCCC2)c(F)c1 ZINC000282795497 551271297 /nfs/dbraw/zinc/27/12/97/551271297.db2.gz GOFYTCPYGKDDNQ-MRXNPFEDSA-N 0 3 363.408 2.121 20 30 FEEDHN C[C@H](CC#N)N(C)S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000282985305 551293632 /nfs/dbraw/zinc/29/36/32/551293632.db2.gz MJQWZJUPWZSBSP-IAGOWNOFSA-N 0 3 364.515 2.062 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCN(c2cncc3ccccc32)CC1 ZINC000283261944 551337844 /nfs/dbraw/zinc/33/78/44/551337844.db2.gz VGMFWQMIPMPSBT-UHFFFAOYSA-N 0 3 351.454 2.119 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(F)c(Cl)c2)CC1 ZINC000283635222 551400753 /nfs/dbraw/zinc/40/07/53/551400753.db2.gz WZCYGFCZXGAZHZ-UHFFFAOYSA-N 0 3 367.852 2.252 20 30 FEEDHN C=CCCCCNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000284481873 551558635 /nfs/dbraw/zinc/55/86/35/551558635.db2.gz OVVVIGSOXXDSBK-UHFFFAOYSA-N 0 3 357.498 2.282 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)Cc2ccccc2C)CC1 ZINC000284862108 551652884 /nfs/dbraw/zinc/65/28/84/551652884.db2.gz DERAEZNKTFCMGR-QGZVFWFLSA-N 0 3 357.498 2.199 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccn(Cc3ccccc3)n2)CC1 ZINC000285285881 551732069 /nfs/dbraw/zinc/73/20/69/551732069.db2.gz GBYYYZTZADXKRX-UHFFFAOYSA-N 0 3 353.470 2.381 20 30 FEEDHN CC(C)N1CCN(C2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000285858700 551819861 /nfs/dbraw/zinc/81/98/61/551819861.db2.gz UXTDOJYAZWKWTI-UHFFFAOYSA-N 0 3 358.461 2.328 20 30 FEEDHN CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000285861503 551820323 /nfs/dbraw/zinc/82/03/23/551820323.db2.gz DKRGZRRTXAZCPJ-RXVVDRJESA-N 0 3 369.513 2.382 20 30 FEEDHN C=CCSCCNC(=O)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000286441123 551885844 /nfs/dbraw/zinc/88/58/44/551885844.db2.gz IAOLIAGFYMBTAZ-UHFFFAOYSA-N 0 3 363.527 2.132 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)CC1 ZINC000286475500 551890314 /nfs/dbraw/zinc/89/03/14/551890314.db2.gz IVNPONVTSXUHHP-IBGZPJMESA-N 0 3 370.497 2.292 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(Cc2cccc(F)c2)C(C)C)CC1 ZINC000286487651 551891675 /nfs/dbraw/zinc/89/16/75/551891675.db2.gz JRBLQKJPDBEVSA-UHFFFAOYSA-N 0 3 361.461 2.329 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](CC)c2ccc(F)cc2F)CC1 ZINC000286508213 551894202 /nfs/dbraw/zinc/89/42/02/551894202.db2.gz KTYWSDCMWPDTCF-QGZVFWFLSA-N 0 3 365.424 2.299 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000286646352 551910243 /nfs/dbraw/zinc/91/02/43/551910243.db2.gz NENROOFCNGVVBT-QGZVFWFLSA-N 0 3 373.497 2.035 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@@H](C)Sc2ccccc2)CC1 ZINC000286711411 551917315 /nfs/dbraw/zinc/91/73/15/551917315.db2.gz QMTIOVKXZRQRKA-OAHLLOKOSA-N 0 3 361.511 2.050 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)Cc2ccc(C)s2)CC1 ZINC000286830213 551930880 /nfs/dbraw/zinc/93/08/80/551930880.db2.gz XBYBFVVZCTVJMN-CQSZACIVSA-N 0 3 363.527 2.260 20 30 FEEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288476216 552159853 /nfs/dbraw/zinc/15/98/53/552159853.db2.gz PAVWNNCTXUAVMP-OIISXLGYSA-N 0 3 356.445 2.219 20 30 FEEDHN C[C@H](NC(C)(C)CNS(=O)(=O)c1cncc(C#N)c1)c1ccccc1 ZINC000289765621 552374919 /nfs/dbraw/zinc/37/49/19/552374919.db2.gz KZFATDBLNCSMDO-AWEZNQCLSA-N 0 3 358.467 2.361 20 30 FEEDHN CN(CCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000290154137 552435739 /nfs/dbraw/zinc/43/57/39/552435739.db2.gz CNYAUCDIAAGJBN-UHFFFAOYSA-N 0 3 368.412 2.274 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](n3cccn3)C2)cc1 ZINC000291207552 552600374 /nfs/dbraw/zinc/60/03/74/552600374.db2.gz AZMCBCBRSLYOFB-UKRRQHHQSA-N 0 3 373.438 2.048 20 30 FEEDHN CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292158092 552699646 /nfs/dbraw/zinc/69/96/46/552699646.db2.gz KRSDFJQUNURNBE-HNAYVOBHSA-N 0 3 360.433 2.145 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000293345205 552813754 /nfs/dbraw/zinc/81/37/54/552813754.db2.gz KLDBMDFFPQMFSM-UHFFFAOYSA-N 0 3 372.252 2.012 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294621372 552921186 /nfs/dbraw/zinc/92/11/86/552921186.db2.gz NNYFJNPZKXRLPD-UHFFFAOYSA-N 0 3 355.398 2.365 20 30 FEEDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2sccc2C#N)o1 ZINC000294669760 552925383 /nfs/dbraw/zinc/92/53/83/552925383.db2.gz HPACNFUBQRPICD-UHFFFAOYSA-N 0 3 360.439 2.050 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295133283 552962183 /nfs/dbraw/zinc/96/21/83/552962183.db2.gz LHKGWPKEMRIQMG-HKUYNNGSSA-N 0 3 372.513 2.205 20 30 FEEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295210478 552970157 /nfs/dbraw/zinc/97/01/57/552970157.db2.gz MCIOGMYSPSWOJD-OAHLLOKOSA-N 0 3 372.494 2.335 20 30 FEEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)C(N)=O ZINC000295512264 553019013 /nfs/dbraw/zinc/01/90/13/553019013.db2.gz UDZRFQTYUVYWSZ-UHFFFAOYSA-N 0 3 362.499 2.413 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295980978 553084651 /nfs/dbraw/zinc/08/46/51/553084651.db2.gz LALLTRFFULPKKW-GUYCJALGSA-N 0 3 351.447 2.086 20 30 FEEDHN CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 ZINC000296013108 553089376 /nfs/dbraw/zinc/08/93/76/553089376.db2.gz REWUEEBFBROPSJ-UHFFFAOYSA-N 0 3 354.458 2.186 20 30 FEEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC000296233619 553126884 /nfs/dbraw/zinc/12/68/84/553126884.db2.gz CDVVLDJHTCYNCO-CJNGLKHVSA-N 0 3 359.875 2.018 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCCN(CCCO)C2)cc1OC ZINC000296499433 553170431 /nfs/dbraw/zinc/17/04/31/553170431.db2.gz SWFYNLSQYIAQSU-LNENJAERSA-N 0 3 374.481 2.236 20 30 FEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000296785299 553211380 /nfs/dbraw/zinc/21/13/80/553211380.db2.gz JGYRFSOXFJOHGO-INIZCTEOSA-N 0 3 360.433 2.263 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000296793569 553212510 /nfs/dbraw/zinc/21/25/10/553212510.db2.gz HQZPRYBQLGVEIM-HXUWFJFHSA-N 0 3 373.497 2.105 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000296958403 553235085 /nfs/dbraw/zinc/23/50/85/553235085.db2.gz QSLIASCZCKEZOM-CQSZACIVSA-N 0 3 371.407 2.204 20 30 FEEDHN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000296999158 553240531 /nfs/dbraw/zinc/24/05/31/553240531.db2.gz JLLDNKWXJZNZGN-AWEZNQCLSA-N 0 3 365.474 2.333 20 30 FEEDHN COC(=O)[C@]1(C)CN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C ZINC000503241540 561637832 /nfs/dbraw/zinc/63/78/32/561637832.db2.gz MMTTZPQRPZLJSR-AYXOFBPESA-N 0 3 363.502 2.437 20 30 FEEDHN COC[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000298582810 553444143 /nfs/dbraw/zinc/44/41/43/553444143.db2.gz RDUSIBZXQOEWGB-HOTGVXAUSA-N 0 3 351.834 2.324 20 30 FEEDHN CN(CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000504095142 561653231 /nfs/dbraw/zinc/65/32/31/561653231.db2.gz PJSHAJNAJGPONN-HXUWFJFHSA-N 0 3 359.470 2.496 20 30 FEEDHN COc1cccc(OC)c1OC[C@@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000299244165 553535951 /nfs/dbraw/zinc/53/59/51/553535951.db2.gz WJRSRVIFQKCUBI-KRWDZBQOSA-N 0 3 356.422 2.447 20 30 FEEDHN COc1ccc([C@@H](C/N=C/c2c(O)c(C)ncc2CO)N(C)C)cc1OC ZINC000299505542 553573001 /nfs/dbraw/zinc/57/30/01/553573001.db2.gz VHSMRJKXYOHMLF-LYUVJKPTSA-N 0 3 373.453 2.327 20 30 FEEDHN COc1ccc([C@@H](C/N=C/c2c([O-])c(C)ncc2CO)[NH+](C)C)cc1OC ZINC000299505542 553573003 /nfs/dbraw/zinc/57/30/03/553573003.db2.gz VHSMRJKXYOHMLF-LYUVJKPTSA-N 0 3 373.453 2.327 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301129338 553624637 /nfs/dbraw/zinc/62/46/37/553624637.db2.gz WQJLTNUUUUVNTH-UHFFFAOYSA-N 0 3 351.454 2.097 20 30 FEEDHN C#CCNC(=O)c1ccc(NCC2(N3CCSCC3)CCCC2)nc1 ZINC000301233651 553633661 /nfs/dbraw/zinc/63/36/61/553633661.db2.gz KPWZBTPJBXHLOL-UHFFFAOYSA-N 0 3 358.511 2.218 20 30 FEEDHN C[C@H](CNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)N1CCC(C)CC1 ZINC000328621071 553797437 /nfs/dbraw/zinc/79/74/37/553797437.db2.gz XIYMOMRCEVCVDN-KURKYZTESA-N 0 3 364.534 2.402 20 30 FEEDHN Cc1ccc([C@H](CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000328717858 553811715 /nfs/dbraw/zinc/81/17/15/553811715.db2.gz PMZKPDGSWUXZNR-WMZOPIPTSA-N 0 3 358.486 2.208 20 30 FEEDHN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000328739348 553814992 /nfs/dbraw/zinc/81/49/92/553814992.db2.gz HVWLOBUDIDVNDD-RBSFLKMASA-N 0 3 366.506 2.229 20 30 FEEDHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C12CCCN1CCC2 ZINC000328796526 553823408 /nfs/dbraw/zinc/82/34/08/553823408.db2.gz UWOSXELAOXDQBI-KRWDZBQOSA-N 0 3 357.502 2.177 20 30 FEEDHN CN1CC[C@H](NC(=O)NC2CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000328825823 553828255 /nfs/dbraw/zinc/82/82/55/553828255.db2.gz SBLJXADRDXTFNW-OALUTQOASA-N 0 3 370.497 2.336 20 30 FEEDHN CC(=O)N1CCCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000328825201 553828454 /nfs/dbraw/zinc/82/84/54/553828454.db2.gz RUGRGNNXNZRZAZ-VQIMIIECSA-N 0 3 358.486 2.290 20 30 FEEDHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCN1CCCCCC1 ZINC000328912044 553843794 /nfs/dbraw/zinc/84/37/94/553843794.db2.gz GXVXMVFKCCVZMN-MRXNPFEDSA-N 0 3 359.536 2.413 20 30 FEEDHN CCN1C[C@H](C)N(C(=O)NC2CCN(Cc3ccncc3)CC2)C[C@@H]1C ZINC000328936591 553848384 /nfs/dbraw/zinc/84/83/84/553848384.db2.gz CQRSBSJTRSPHKR-IRXDYDNUSA-N 0 3 359.518 2.375 20 30 FEEDHN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000328938659 553849064 /nfs/dbraw/zinc/84/90/64/553849064.db2.gz DMLMJBNKJDSMDJ-QKLQHJQFSA-N 0 3 368.437 2.360 20 30 FEEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000328947274 553850939 /nfs/dbraw/zinc/85/09/39/553850939.db2.gz GUBXXLVDZDQQKM-UKRRQHHQSA-N 0 3 354.458 2.487 20 30 FEEDHN CCCN1CCC[C@H]1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000328961179 553853280 /nfs/dbraw/zinc/85/32/80/553853280.db2.gz PYHNBIMUYZLFSV-SFHVURJKSA-N 0 3 364.534 2.294 20 30 FEEDHN C[C@H](NC1(CNC(=O)[C@@H]2COCCN2C)CCOCC1)c1ccccc1 ZINC000329049755 553871659 /nfs/dbraw/zinc/87/16/59/553871659.db2.gz WCYKENVUUKEDBD-WMZOPIPTSA-N 0 3 361.486 2.174 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCc3cccc(Cn4ccnc4)c3)[C@H]2C1 ZINC000329303442 553921268 /nfs/dbraw/zinc/92/12/68/553921268.db2.gz XHLYROKZVJXDGM-MOPGFXCFSA-N 0 3 353.470 2.371 20 30 FEEDHN O=C(CNC(=O)N1CC[C@@H](N2CCCCC2)C1)N1CCCc2ccccc21 ZINC000329331594 553926353 /nfs/dbraw/zinc/92/63/53/553926353.db2.gz WFACSZNXRMHMAD-GOSISDBHSA-N 0 3 370.497 2.440 20 30 FEEDHN C[C@@H]1C(=O)Nc2cc(C(=O)N[C@@H](CO)CN3CCCCC3)ccc2N1C ZINC000329447827 553948636 /nfs/dbraw/zinc/94/86/36/553948636.db2.gz LKVIYYVQAZVDAT-UKRRQHHQSA-N 0 3 360.458 2.264 20 30 FEEDHN CN(C(=O)NCCN1CCC2(CCCCC2)CC1)[C@H]1CCN(C)C1=O ZINC000329527616 553962276 /nfs/dbraw/zinc/96/22/76/553962276.db2.gz UHCJESZISKOICY-INIZCTEOSA-N 0 3 350.507 2.109 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000329632889 553980487 /nfs/dbraw/zinc/98/04/87/553980487.db2.gz WLBAEYUXEAFWDJ-QLFBSQMISA-N 0 3 363.462 2.456 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CCN1C ZINC000329680451 553987133 /nfs/dbraw/zinc/98/71/33/553987133.db2.gz WLWDPYJNPSZTNY-CZXHOFHRSA-N 0 3 371.528 2.341 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C[C@H]1N(C)C ZINC000507087640 561717137 /nfs/dbraw/zinc/71/71/37/561717137.db2.gz PPLCSKPBGPQKCG-QZTJIDSGSA-N 0 3 369.494 2.170 20 30 FEEDHN O=C(Nc1cccc(CNC2CCS(=O)(=O)CC2)c1)[C@@H]1CCCO1 ZINC000329800721 554008718 /nfs/dbraw/zinc/00/87/18/554008718.db2.gz IQJNDBGAWOGUTR-INIZCTEOSA-N 0 3 352.456 2.120 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncnc4ccsc43)CC2)CCN1C ZINC000329806251 554009041 /nfs/dbraw/zinc/00/90/41/554009041.db2.gz NSDATBOUZVRDTA-ZIAGYGMSSA-N 0 3 374.514 2.210 20 30 FEEDHN CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@H]1CN2CCC1CC2 ZINC000329932085 554034292 /nfs/dbraw/zinc/03/42/92/554034292.db2.gz AWIONAVRGDRGFQ-AEFFLSMTSA-N 0 3 362.518 2.108 20 30 FEEDHN CN(C)[C@]1(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)CCSC1 ZINC000330049543 554054898 /nfs/dbraw/zinc/05/48/98/554054898.db2.gz KXQKHAGSDOARGD-AJQRCPHMSA-N 0 3 354.476 2.193 20 30 FEEDHN CS[C@@H]1CN(C(=O)CCNC(=O)c2ccsc2)C[C@H]1N1CCCC1 ZINC000330125317 554068792 /nfs/dbraw/zinc/06/87/92/554068792.db2.gz LVJPFGHLWYHWQJ-HUUCEWRRSA-N 0 3 367.540 2.481 20 30 FEEDHN CC(C)[C@H](C(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O)N1CCCCC1 ZINC000330160060 554076473 /nfs/dbraw/zinc/07/64/73/554076473.db2.gz QWCBNXBBWYJNKC-NVXWUHKLSA-N 0 3 361.490 2.383 20 30 FEEDHN CC(C(=O)N[C@H]1CCc2c1cccc2O)S(=O)(=O)C1CCOCC1 ZINC000330164752 554076648 /nfs/dbraw/zinc/07/66/48/554076648.db2.gz UDXMTKSDDPFAOS-ABAIWWIYSA-N 0 3 353.440 2.318 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000330707650 554161017 /nfs/dbraw/zinc/16/10/17/554161017.db2.gz MGZVOBIMDTVYOR-OAHLLOKOSA-N 0 3 353.488 2.116 20 30 FEEDHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000330830792 554176877 /nfs/dbraw/zinc/17/68/77/554176877.db2.gz UOLQGNDNCZQXFP-BRWVUGGUSA-N 0 3 352.523 2.305 20 30 FEEDHN CCC1(CC)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[S@]1=O ZINC000330986937 554197303 /nfs/dbraw/zinc/19/73/03/554197303.db2.gz GHMIAKDUSDZDED-SSOJOUAXSA-N 0 3 357.479 2.390 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000331464569 554268858 /nfs/dbraw/zinc/26/88/58/554268858.db2.gz ZPODWZKHHWJYPG-QGZVFWFLSA-N 0 3 355.486 2.122 20 30 FEEDHN C=CC1CCN([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000331635233 554299261 /nfs/dbraw/zinc/29/92/61/554299261.db2.gz TUYJTROHDZVVIZ-ZDUSSCGKSA-N 0 3 359.426 2.392 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000332222219 554403745 /nfs/dbraw/zinc/40/37/45/554403745.db2.gz AULPOQYXRLCEMT-KGLIPLIRSA-N 0 3 373.400 2.482 20 30 FEEDHN C=CC[C@H]1N(CC(=O)N2CCN(c3cnccn3)CC2)CCCC1(C)C ZINC000332524679 554462663 /nfs/dbraw/zinc/46/26/63/554462663.db2.gz DLXKXLHLACUILX-QGZVFWFLSA-N 0 3 357.502 2.192 20 30 FEEDHN CC(C#N)C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000510383556 561832854 /nfs/dbraw/zinc/83/28/54/561832854.db2.gz DSQJVQPJOUTICG-AWEZNQCLSA-N 0 3 368.403 2.493 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000510483531 561836086 /nfs/dbraw/zinc/83/60/86/561836086.db2.gz AWHVXMCJQWQMCB-TZMCWYRMSA-N 0 3 353.875 2.459 20 30 FEEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000611600883 554652506 /nfs/dbraw/zinc/65/25/06/554652506.db2.gz ATRAAFHXXWTCPY-CQSZACIVSA-N 0 3 368.416 2.489 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000348512058 554687566 /nfs/dbraw/zinc/68/75/66/554687566.db2.gz NDDHHQMYUGPATG-SZMVWBNQSA-N 0 3 357.454 2.163 20 30 FEEDHN C=CCOCCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000361106280 554904603 /nfs/dbraw/zinc/90/46/03/554904603.db2.gz NRPFIHLLNBAKSX-UHFFFAOYSA-N 0 3 361.486 2.409 20 30 FEEDHN CCc1nc(CN2CCC[C@H](N(C)CCOc3cccc(C#N)c3)C2)no1 ZINC000363077240 555025092 /nfs/dbraw/zinc/02/50/92/555025092.db2.gz KLTUETFDJWLTEU-KRWDZBQOSA-N 0 3 369.469 2.479 20 30 FEEDHN C[C@@H](NC(C)(C)CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000363129239 555036889 /nfs/dbraw/zinc/03/68/89/555036889.db2.gz DEZVTDFJVBOFOH-VQIMIIECSA-N 0 3 369.513 2.498 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)c1 ZINC000363250081 555063480 /nfs/dbraw/zinc/06/34/80/555063480.db2.gz ISJXMYASEGCKLY-YJBOKZPZSA-N 0 3 367.474 2.477 20 30 FEEDHN C=CCN(C[C@@H](O)COC1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363629734 555150487 /nfs/dbraw/zinc/15/04/87/555150487.db2.gz FIKCLUSUWCPZEL-LEWJYISDSA-N 0 3 374.525 2.305 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCN1C ZINC000363716435 555170652 /nfs/dbraw/zinc/17/06/52/555170652.db2.gz RPILFCVJTAAFNF-UKRRQHHQSA-N 0 3 370.432 2.829 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(C)C ZINC000512392991 561902948 /nfs/dbraw/zinc/90/29/48/561902948.db2.gz MWYWXZKSPHCTEM-FGTMMUONSA-N 0 3 362.518 2.138 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccccc1OCC#N ZINC000364567251 555340346 /nfs/dbraw/zinc/34/03/46/555340346.db2.gz ZDODKZJDXZUHIH-RYRKJORJSA-N 0 3 357.454 2.208 20 30 FEEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000512506055 561907905 /nfs/dbraw/zinc/90/79/05/561907905.db2.gz GNPAXZDTDAKJOZ-MRXNPFEDSA-N 0 3 354.520 2.124 20 30 FEEDHN C[C@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1F ZINC000512625503 561910524 /nfs/dbraw/zinc/91/05/24/561910524.db2.gz OLDPRMMNTXVGAY-INIZCTEOSA-N 0 3 368.460 2.350 20 30 FEEDHN CN1CCN(CC2(C)CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000364917188 555436997 /nfs/dbraw/zinc/43/69/97/555436997.db2.gz SCTMLJGGJMHVKK-UHFFFAOYSA-N 0 3 357.458 2.320 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)N2CCCN([C@@H](C)CO)CC2)cc1OC ZINC000364930017 555440801 /nfs/dbraw/zinc/44/08/01/555440801.db2.gz CUWIFKWKRWEGLI-LKUPDRCFSA-N 0 3 374.481 2.188 20 30 FEEDHN CS(=O)(=O)N1CCCC[C@H]1CNCc1cccc(OCCCC#N)c1 ZINC000512984012 561921743 /nfs/dbraw/zinc/92/17/43/561921743.db2.gz ZUMAZLVQTCUHHC-KRWDZBQOSA-N 0 3 365.499 2.273 20 30 FEEDHN CS(=O)(=O)N1CCCC[C@@H]1CNCc1cccc(OCCCC#N)c1 ZINC000512984013 561921782 /nfs/dbraw/zinc/92/17/82/561921782.db2.gz ZUMAZLVQTCUHHC-QGZVFWFLSA-N 0 3 365.499 2.273 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](CC)O[C@@]3(CCCOC3)C2)CC1 ZINC000366303423 555806806 /nfs/dbraw/zinc/80/68/06/555806806.db2.gz GGRZDYWGLHEVEN-MJGOQNOKSA-N 0 3 351.491 2.006 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)O[C@@]3(CCCOC3)C2)CC1 ZINC000366732516 555920811 /nfs/dbraw/zinc/92/08/11/555920811.db2.gz XAIRFEKTBHWNHN-FQEVSTJZSA-N 0 3 365.518 2.397 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@H]2CCC(=O)NC23CCC3)cc1 ZINC000367251479 556004036 /nfs/dbraw/zinc/00/40/36/556004036.db2.gz GDJVAAVPDLYHTB-AEFFLSMTSA-N 0 3 368.481 2.421 20 30 FEEDHN CN1CCC(n2ccc(=NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)[nH]2)CC1 ZINC000367672394 556111013 /nfs/dbraw/zinc/11/10/13/556111013.db2.gz JOOYPSRIUINVFD-UHFFFAOYSA-N 0 3 369.444 3.077 20 30 FEEDHN CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC(C)(C)C1 ZINC000515043878 561993410 /nfs/dbraw/zinc/99/34/10/561993410.db2.gz YGNVOSXYWZTLBZ-UHFFFAOYSA-N 0 3 359.474 2.014 20 30 FEEDHN N#Cc1cc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000368547147 556341557 /nfs/dbraw/zinc/34/15/57/556341557.db2.gz ZYXZAMLETIILLY-SJORKVTESA-N 0 3 367.409 2.096 20 30 FEEDHN C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000368712195 556394907 /nfs/dbraw/zinc/39/49/07/556394907.db2.gz LAYWTGCQDYERGP-XLIONFOSSA-N 0 3 366.509 2.074 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000368724132 556398246 /nfs/dbraw/zinc/39/82/46/556398246.db2.gz HZNUJGSCGZURHH-UZLBHIALSA-N 0 3 363.502 2.400 20 30 FEEDHN CNC(=O)CN1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000368828010 556424240 /nfs/dbraw/zinc/42/42/40/556424240.db2.gz CPTMJXXRHACOLD-UHFFFAOYSA-N 0 3 362.477 2.479 20 30 FEEDHN CN1CCN(CCC2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000368846700 556428350 /nfs/dbraw/zinc/42/83/50/556428350.db2.gz WGKXWFUTMVWBAR-UHFFFAOYSA-N 0 3 368.525 2.367 20 30 FEEDHN C[C@@H](CO)N1CCCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000368966904 556461438 /nfs/dbraw/zinc/46/14/38/556461438.db2.gz SLHGNTGLTSYRQQ-ZDUSSCGKSA-N 0 3 352.276 2.209 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCCCN2CCCC2)c(C(F)(F)F)c1 ZINC000515726523 562020441 /nfs/dbraw/zinc/02/04/41/562020441.db2.gz BELDVLBGWQQHOC-UHFFFAOYSA-N 0 3 361.389 2.341 20 30 FEEDHN COc1ccc(CNC[C@H]2CN3CCC[C@H]3CO2)cc1OCCCC#N ZINC000369037127 556484321 /nfs/dbraw/zinc/48/43/21/556484321.db2.gz VEFFQLLLJRLZJY-ROUUACIJSA-N 0 3 359.470 2.331 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000369073771 556497846 /nfs/dbraw/zinc/49/78/46/556497846.db2.gz JISMKCISGXYEFG-INIZCTEOSA-N 0 3 364.440 2.493 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(N2CCN(CCC)CC2)CC1 ZINC000369154344 556518703 /nfs/dbraw/zinc/51/87/03/556518703.db2.gz HQSYTAQKNZHLPQ-LJQANCHMSA-N 0 3 362.562 2.068 20 30 FEEDHN COc1ccnc(N2CCCN(CCCC3(C#N)CCOCC3)CC2)n1 ZINC000369191912 556530736 /nfs/dbraw/zinc/53/07/36/556530736.db2.gz CNPLLBBCPBFFOU-UHFFFAOYSA-N 0 3 359.474 2.098 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CNCCn1c(=O)oc2ccccc21 ZINC000516049153 562028895 /nfs/dbraw/zinc/02/88/95/562028895.db2.gz YBAIUMUDKQEUNT-QGZVFWFLSA-N 0 3 368.433 2.353 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000369755732 556686252 /nfs/dbraw/zinc/68/62/52/556686252.db2.gz ASFZOAQPFVPADF-QFBILLFUSA-N 0 3 373.522 2.262 20 30 FEEDHN C#CCCN1CCC(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)CC1 ZINC000369756858 556686761 /nfs/dbraw/zinc/68/67/61/556686761.db2.gz IFLWZRCTNOONTD-UHFFFAOYSA-N 0 3 366.465 2.082 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000370216584 556813634 /nfs/dbraw/zinc/81/36/34/556813634.db2.gz RUIQGYBSIIIAJX-GOSISDBHSA-N 0 3 355.482 2.192 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000516645998 562052494 /nfs/dbraw/zinc/05/24/94/562052494.db2.gz ZXCOBBYZJSWIPU-DVOMOZLQSA-N 0 3 370.266 2.240 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)CN1C1CC1 ZINC000516991977 562069760 /nfs/dbraw/zinc/06/97/60/562069760.db2.gz DDJOIJHEVVBEOZ-QAPCUYQASA-N 0 3 356.470 2.341 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1C#N ZINC000370910044 557011717 /nfs/dbraw/zinc/01/17/17/557011717.db2.gz YTFFKVPCQDDSSY-IRXDYDNUSA-N 0 3 358.442 2.330 20 30 FEEDHN CN(CCC#N)C[C@H](O)CNCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000517127500 562076654 /nfs/dbraw/zinc/07/66/54/562076654.db2.gz MVIBGGDYIIFHGG-QGZVFWFLSA-N 0 3 358.417 2.309 20 30 FEEDHN C=CCSCCNC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371182873 557100175 /nfs/dbraw/zinc/10/01/75/557100175.db2.gz GIWYXXQWXYCUNP-UHFFFAOYSA-N 0 3 354.564 2.106 20 30 FEEDHN COc1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OCCCC#N ZINC000371325383 557146564 /nfs/dbraw/zinc/14/65/64/557146564.db2.gz DMDGGNMUBBRIEI-MOPGFXCFSA-N 0 3 373.497 2.409 20 30 FEEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccc(C#N)nc2)C1 ZINC000371719252 557273358 /nfs/dbraw/zinc/27/33/58/557273358.db2.gz MXCGHPHCBZYTPE-UHFFFAOYSA-N 0 3 350.422 2.335 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000518366213 562109742 /nfs/dbraw/zinc/10/97/42/562109742.db2.gz QMFKEIWHIANWFJ-QGZVFWFLSA-N 0 3 357.454 2.421 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCN(c3cccnn3)CC2)CC1 ZINC000371955327 557338444 /nfs/dbraw/zinc/33/84/44/557338444.db2.gz YKUPIZWXQBWLPX-UHFFFAOYSA-N 0 3 372.517 2.127 20 30 FEEDHN C=CCN1CCC(NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000519275404 562128311 /nfs/dbraw/zinc/12/83/11/562128311.db2.gz LVQCKPMMEXEGHG-UHFFFAOYSA-N 0 3 353.470 2.193 20 30 FEEDHN Cc1cc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000372378218 557455025 /nfs/dbraw/zinc/45/50/25/557455025.db2.gz PVRSQTRDHLEUSL-WMLDXEAASA-N 0 3 366.469 2.999 20 30 FEEDHN C#CCOc1cc(F)ccc1NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000372503864 557487408 /nfs/dbraw/zinc/48/74/08/557487408.db2.gz KCMGWRVWXQEKNB-UHFFFAOYSA-N 0 3 363.433 2.148 20 30 FEEDHN C[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000372553505 557502683 /nfs/dbraw/zinc/50/26/83/557502683.db2.gz PYCCJDFMSPOCGW-IXDOHACOSA-N 0 3 355.486 2.253 20 30 FEEDHN COc1cc(/C=C/C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)ccc1OCC#N ZINC000372983803 557603269 /nfs/dbraw/zinc/60/32/69/557603269.db2.gz VIIDAJNOXHERCZ-TZNLOLHFSA-N 0 3 355.438 2.163 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccccc2CC#N)CC1=O ZINC000520426320 562156304 /nfs/dbraw/zinc/15/63/04/562156304.db2.gz FBUFFUUZSMWLNE-DLBZAZTESA-N 0 3 354.454 2.024 20 30 FEEDHN CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)N1CCCC1 ZINC000373708601 557742786 /nfs/dbraw/zinc/74/27/86/557742786.db2.gz PYFDRCQKYLUVAX-MOPGFXCFSA-N 0 3 368.481 2.040 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC(=O)Nc3ccccc32)cc1 ZINC000373848538 557772622 /nfs/dbraw/zinc/77/26/22/557772622.db2.gz CRSSETJEPBTZFD-DLBZAZTESA-N 0 3 358.401 2.483 20 30 FEEDHN CN(C)[C@H](CNCc1cnc2c(C#N)cnn2c1)c1c(F)cccc1F ZINC000520584340 562159624 /nfs/dbraw/zinc/15/96/24/562159624.db2.gz UOMRCTSGZKHZRA-MRXNPFEDSA-N 0 3 356.380 2.272 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2c3ccccc3CC[C@@H]2N(C)C)C1=O ZINC000373950429 557794880 /nfs/dbraw/zinc/79/48/80/557794880.db2.gz MOZHWFBUOSSNJE-GBESFXJTSA-N 0 3 370.497 2.032 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NCCN3[C@H](C)CCC[C@H]3C)cc2C1=O ZINC000520761137 562162968 /nfs/dbraw/zinc/16/29/68/562162968.db2.gz WLEDJWRYCIXWOL-HUUCEWRRSA-N 0 3 369.465 2.461 20 30 FEEDHN CN(C(=O)NCC1(CC#N)CC1)C1CCN(CCc2ccncc2)CC1 ZINC000374041326 557812705 /nfs/dbraw/zinc/81/27/05/557812705.db2.gz STPZDEGXWFMHGN-UHFFFAOYSA-N 0 3 355.486 2.424 20 30 FEEDHN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000374307357 557862809 /nfs/dbraw/zinc/86/28/09/557862809.db2.gz CQTQUOIRNFPUGX-HIFRSBDPSA-N 0 3 367.419 2.434 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC1)C(C)C ZINC000375121192 557980720 /nfs/dbraw/zinc/98/07/20/557980720.db2.gz ZNIOFVQKGCBUNX-SCTDSRPQSA-N 0 3 362.518 2.041 20 30 FEEDHN COc1ccnc(NC2CCN(CCCC3(C#N)CCOCC3)CC2)n1 ZINC000375705601 558070358 /nfs/dbraw/zinc/07/03/58/558070358.db2.gz QRRMBMPPVDYNLU-UHFFFAOYSA-N 0 3 359.474 2.462 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000376112085 558128468 /nfs/dbraw/zinc/12/84/68/558128468.db2.gz JNPXXNUEKMWLNZ-BXWFABGCSA-N 0 3 351.491 2.005 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000376349635 558161418 /nfs/dbraw/zinc/16/14/18/558161418.db2.gz JCOSBSVMSZBBQC-SWLSCSKDSA-N 0 3 353.875 2.459 20 30 FEEDHN CCCN(CCN1CCCC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376575677 558192677 /nfs/dbraw/zinc/19/26/77/558192677.db2.gz WIFFQNDYNDWSPJ-UHFFFAOYSA-N 0 3 367.457 2.479 20 30 FEEDHN C=CCN(C(=O)NCCCC(=O)N(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000376923179 558239902 /nfs/dbraw/zinc/23/99/02/558239902.db2.gz OVUVADDFDXAATC-LJQANCHMSA-N 0 3 372.513 2.327 20 30 FEEDHN C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@H](c1ccccc1)N(C)C ZINC000377266548 558302173 /nfs/dbraw/zinc/30/21/73/558302173.db2.gz QVUCKTHXBFVBAH-KFKAGJAMSA-N 0 3 355.486 2.060 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000377400563 558333739 /nfs/dbraw/zinc/33/37/39/558333739.db2.gz QEJRDWURJKACEN-QSFXBCCZSA-N 0 3 368.481 2.277 20 30 FEEDHN CN(CCC#N)c1ccc(CN2CCN([C@@H]3CCCN(C)C3)CC2)cc1 ZINC000378353363 558536911 /nfs/dbraw/zinc/53/69/11/558536911.db2.gz XJKICZVEDWCTQA-OAQYLSRUSA-N 0 3 355.530 2.248 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC3)CC2)CC1 ZINC000378444945 558559141 /nfs/dbraw/zinc/55/91/41/558559141.db2.gz ZGPLJBNJYUCRIB-MRXNPFEDSA-N 0 3 358.511 2.333 20 30 FEEDHN C[C@H]1CCN(CCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000524775409 562234410 /nfs/dbraw/zinc/23/44/10/562234410.db2.gz GSEUKRDNZJUFQN-KRWDZBQOSA-N 0 3 356.470 2.171 20 30 FEEDHN C[C@@H](CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)N(C)C1CC1 ZINC000525849224 562257243 /nfs/dbraw/zinc/25/72/43/562257243.db2.gz XLUKDLQSXVGGAS-NXVRBGIVSA-N 0 3 371.485 2.425 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)o1 ZINC000526029621 562264464 /nfs/dbraw/zinc/26/44/64/562264464.db2.gz JQTMQNVHZYHLDR-QGZVFWFLSA-N 0 3 373.501 2.308 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H](CO)c2ccc(F)cc2)cc1 ZINC000412721974 559052802 /nfs/dbraw/zinc/05/28/02/559052802.db2.gz XCXCDUSRBVQXLG-ZWKOTPCHSA-N 0 3 351.381 2.272 20 30 FEEDHN C[C@H](C(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000413258066 559092834 /nfs/dbraw/zinc/09/28/34/559092834.db2.gz DKGAGBGIQAOTEO-HNNXBMFYSA-N 0 3 359.470 2.426 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cc(N)ccc1F)C(C)C ZINC000414698024 559180470 /nfs/dbraw/zinc/18/04/70/559180470.db2.gz RSUHOVOJHQRURB-QGZVFWFLSA-N 0 3 362.449 2.161 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1F)CCNC2)c1ccc(C#N)cc1 ZINC000414703955 559181127 /nfs/dbraw/zinc/18/11/27/559181127.db2.gz VYMHENVUEGZQMM-LBPRGKRZSA-N 0 3 366.396 2.159 20 30 FEEDHN N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CNCCO2)cc1 ZINC000415010467 559200428 /nfs/dbraw/zinc/20/04/28/559200428.db2.gz PFNOYYQEKHJCRW-QGZVFWFLSA-N 0 3 352.394 2.460 20 30 FEEDHN N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CNCCO3)cc2)cc1 ZINC000415048878 559202341 /nfs/dbraw/zinc/20/23/41/559202341.db2.gz XOSTWHNHEAWFRJ-GOSISDBHSA-N 0 3 352.394 2.460 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000415421289 559233754 /nfs/dbraw/zinc/23/37/54/559233754.db2.gz BZGDRXISKIGMQU-KRWDZBQOSA-N 0 3 372.469 2.308 20 30 FEEDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416469274 559315581 /nfs/dbraw/zinc/31/55/81/559315581.db2.gz DAMATLJEOBQXSZ-NSHDSACASA-N 0 3 374.304 2.329 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000417051679 559345885 /nfs/dbraw/zinc/34/58/85/559345885.db2.gz OOBMWVROGDNPKP-XJFOESAGSA-N 0 3 365.455 2.307 20 30 FEEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418456868 559402318 /nfs/dbraw/zinc/40/23/18/559402318.db2.gz UOCOHJLMHGMMAY-LJQANCHMSA-N 0 3 352.438 2.416 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000419057654 559426551 /nfs/dbraw/zinc/42/65/51/559426551.db2.gz OOKOXHFOCKATEB-HXUWFJFHSA-N 0 3 363.461 2.210 20 30 FEEDHN C=CCC[C@H](NC(=O)C(=O)N[C@@H](C)CN)c1ccc(C(F)(F)F)cc1 ZINC000419473604 559444283 /nfs/dbraw/zinc/44/42/83/559444283.db2.gz LLPSBHWZWHZUPI-FZMZJTMJSA-N 0 3 357.376 2.292 20 30 FEEDHN N#Cc1ccc(CN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C2CC2)cc1 ZINC000419962862 559466492 /nfs/dbraw/zinc/46/64/92/559466492.db2.gz HCKNNQOALGRTFT-LJQANCHMSA-N 0 3 368.481 2.073 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)C[C@H]2CCCN2C)cc1 ZINC000421004246 559518730 /nfs/dbraw/zinc/51/87/30/559518730.db2.gz NXPZWQBAMTWGPQ-GOSISDBHSA-N 0 3 358.486 2.358 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000421145601 559526551 /nfs/dbraw/zinc/52/65/51/559526551.db2.gz AKBHAFAEOXXCNA-GOSISDBHSA-N 0 3 355.482 2.033 20 30 FEEDHN CCOC(=O)c1c(NC(=O)NC2(CN(C)C)CCC2)c(C#N)cn1CC ZINC000421172269 559528630 /nfs/dbraw/zinc/52/86/30/559528630.db2.gz JBJGKLRXFPZPQO-UHFFFAOYSA-N 0 3 361.446 2.162 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000421543602 559544866 /nfs/dbraw/zinc/54/48/66/559544866.db2.gz FECLANZLIBRKJM-IEBWSBKVSA-N 0 3 357.498 2.281 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422540336 559593785 /nfs/dbraw/zinc/59/37/85/559593785.db2.gz JYXDMEGAGDFGRJ-RTBURBONSA-N 0 3 357.498 2.231 20 30 FEEDHN COc1ccc(Br)cc1CN(C)C(=O)[C@@H](N)CCCC#N ZINC000424076506 559654052 /nfs/dbraw/zinc/65/40/52/559654052.db2.gz MESJGUKFNYOULA-ZDUSSCGKSA-N 0 3 354.248 2.437 20 30 FEEDHN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H](N)CCCC#N ZINC000424096731 559654614 /nfs/dbraw/zinc/65/46/14/559654614.db2.gz YMSUFSZYSNWPAH-GFCCVEGCSA-N 0 3 356.348 2.247 20 30 FEEDHN N#CCCC[C@H](N)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000424107319 559655092 /nfs/dbraw/zinc/65/50/92/559655092.db2.gz NXJCYWHJRJMPBJ-AWEZNQCLSA-N 0 3 357.483 2.402 20 30 FEEDHN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)cc1 ZINC000424113896 559655164 /nfs/dbraw/zinc/65/51/64/559655164.db2.gz OXDSWPVQDMCHHS-SJLPKXTDSA-N 0 3 371.485 2.376 20 30 FEEDHN COC(=O)[C@@H](CNC(=O)[C@@H](N)CCCC#N)Cc1cccc2ccccc21 ZINC000424122317 559655500 /nfs/dbraw/zinc/65/55/00/559655500.db2.gz JCXHGUFYVFFRDX-MJGOQNOKSA-N 0 3 367.449 2.309 20 30 FEEDHN CCc1nc(CN2CCC(CNC(=O)[C@@H](N)CCCC#N)CC2)cs1 ZINC000424141703 559655891 /nfs/dbraw/zinc/65/58/91/559655891.db2.gz HNHRHZXCNQFQRW-INIZCTEOSA-N 0 3 363.531 2.055 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000424150861 559656289 /nfs/dbraw/zinc/65/62/89/559656289.db2.gz ZRPXMFNHPBDTQQ-QWHCGFSZSA-N 0 3 352.385 2.004 20 30 FEEDHN COc1cccc([C@@H]2[C@H](NC(=O)[C@H](N)CCCC#N)CCN2C2CC2)c1 ZINC000424177941 559656826 /nfs/dbraw/zinc/65/68/26/559656826.db2.gz VNHYXVXBFZTGNS-GUDVDZBRSA-N 0 3 356.470 2.110 20 30 FEEDHN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)[C@H](N)CCCC#N ZINC000424196767 559657302 /nfs/dbraw/zinc/65/73/02/559657302.db2.gz VSQWGELSVGKLNW-GOSISDBHSA-N 0 3 353.470 2.499 20 30 FEEDHN C=CCn1cc(CN[C@H](C)CCCCN2C(=O)c3ccccc3C2=O)nn1 ZINC000424294754 559660911 /nfs/dbraw/zinc/66/09/11/559660911.db2.gz LKJIVUIJHDRGDZ-OAHLLOKOSA-N 0 3 367.453 2.409 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425384179 559699247 /nfs/dbraw/zinc/69/92/47/559699247.db2.gz JINQQCVVKWRNIZ-RBUKOAKNSA-N 0 3 355.482 2.144 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)nn1 ZINC000425496590 559705499 /nfs/dbraw/zinc/70/54/99/559705499.db2.gz AZGBJHGOBBHWHA-IBGZPJMESA-N 0 3 368.485 2.174 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000425858100 559723016 /nfs/dbraw/zinc/72/30/16/559723016.db2.gz QBXNXRJKBVAGDD-PXNSSMCTSA-N 0 3 372.513 2.321 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(N)=O)C(C)C ZINC000427119493 559748249 /nfs/dbraw/zinc/74/82/49/559748249.db2.gz JSECASZGTGCHFI-HNNXBMFYSA-N 0 3 351.520 2.095 20 30 FEEDHN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC000428549551 559778013 /nfs/dbraw/zinc/77/80/13/559778013.db2.gz QBCMAOGHUXGAAI-TZIWHRDSSA-N 0 3 374.444 2.446 20 30 FEEDHN COc1cc(CNCC2(CC#N)CC2)ccc1OCC(=O)N1CCCC1 ZINC000430037031 559811600 /nfs/dbraw/zinc/81/16/00/559811600.db2.gz RHIBAOZVKGQNTI-UHFFFAOYSA-N 0 3 357.454 2.480 20 30 FEEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000430742545 559827569 /nfs/dbraw/zinc/82/75/69/559827569.db2.gz PCZCPJIZYWFHDK-HNNXBMFYSA-N 0 3 363.483 2.052 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN(CCO)[C@@H]1CCCSC1 ZINC000433191030 559872944 /nfs/dbraw/zinc/87/29/44/559872944.db2.gz TXUMTWXCETWQAQ-MSOLQXFVSA-N 0 3 351.512 2.345 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433358539 559878412 /nfs/dbraw/zinc/87/84/12/559878412.db2.gz BUTBCZNDGPFUQS-AZUAARDMSA-N 0 3 356.514 2.149 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000437724583 559968548 /nfs/dbraw/zinc/96/85/48/559968548.db2.gz VCSCLVWRAQOFOA-RDJZCZTQSA-N 0 3 353.507 2.156 20 30 FEEDHN COc1ccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)c1 ZINC000442643655 560054154 /nfs/dbraw/zinc/05/41/54/560054154.db2.gz GVZUIUSXWFWPIR-INIZCTEOSA-N 0 3 374.404 2.426 20 30 FEEDHN N#C[C@H]1CC[C@@H](NCc2cccc(NC(=O)CCN3CCOCC3)c2)C1 ZINC000442717990 560055161 /nfs/dbraw/zinc/05/51/61/560055161.db2.gz PMPRJTGVCITJKM-FUHWJXTLSA-N 0 3 356.470 2.129 20 30 FEEDHN C=CC[C@@H]1N(CC(=O)NCC(C)(C)N2CCOCC2)CCCC1(C)C ZINC000444781210 560120711 /nfs/dbraw/zinc/12/07/11/560120711.db2.gz GWUDMRXGYFJNST-KRWDZBQOSA-N 0 3 351.535 2.280 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccnn2[C@H](C)CC(C)C)CC1 ZINC000446737221 560150780 /nfs/dbraw/zinc/15/07/80/560150780.db2.gz UQTYHVCEDABALX-OAHLLOKOSA-N 0 3 361.490 2.195 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(CCOC)Cc2cncs2)CC1 ZINC000448013173 560175942 /nfs/dbraw/zinc/17/59/42/560175942.db2.gz WEIQHYYQYBYEMP-UHFFFAOYSA-N 0 3 352.504 2.342 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)CC1 ZINC000449497085 560232019 /nfs/dbraw/zinc/23/20/19/560232019.db2.gz KDMUZBQZBLIHBY-IBGZPJMESA-N 0 3 372.488 2.464 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000449519036 560232550 /nfs/dbraw/zinc/23/25/50/560232550.db2.gz KXGMYDBXGORGKT-MSOLQXFVSA-N 0 3 366.889 2.484 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000449978124 560246923 /nfs/dbraw/zinc/24/69/23/560246923.db2.gz KTPYMUMIKPDAAP-UHFFFAOYSA-N 0 3 352.438 2.082 20 30 FEEDHN C[C@@H]1[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCCN1C ZINC000450545993 560265621 /nfs/dbraw/zinc/26/56/21/560265621.db2.gz CVVLIVMEWCGXTG-ABAIWWIYSA-N 0 3 366.259 2.298 20 30 FEEDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451203013 560292922 /nfs/dbraw/zinc/29/29/22/560292922.db2.gz OVGOBKUQYLSSCS-CQSZACIVSA-N 0 3 355.891 2.368 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000452386409 560362345 /nfs/dbraw/zinc/36/23/45/560362345.db2.gz FQCPPGBEQHGNAV-SFHVURJKSA-N 0 3 359.470 2.070 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453444566 560386812 /nfs/dbraw/zinc/38/68/12/560386812.db2.gz NHAXCENVBBWVJC-HNNXBMFYSA-N 0 3 362.522 2.303 20 30 FEEDHN C=CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000453557734 560388802 /nfs/dbraw/zinc/38/88/02/560388802.db2.gz CGNGMUBEQMRHHV-UHFFFAOYSA-N 0 3 351.834 2.054 20 30 FEEDHN Cc1nc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)ccc1C#N ZINC000453590112 560390086 /nfs/dbraw/zinc/39/00/86/560390086.db2.gz GMNCIECCCOWFRL-KRWDZBQOSA-N 0 3 371.485 2.073 20 30 FEEDHN C=C(C)CCNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000453886120 560410775 /nfs/dbraw/zinc/41/07/75/560410775.db2.gz KDXHFZOKIVTUMJ-UHFFFAOYSA-N 0 3 358.486 2.158 20 30 FEEDHN CN(C)CCc1ccccc1NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000454006997 560421582 /nfs/dbraw/zinc/42/15/82/560421582.db2.gz AFAXPEAQASOSPD-UHFFFAOYSA-N 0 3 350.422 2.434 20 30 FEEDHN CC1(C)CCCN1CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000454075841 560427085 /nfs/dbraw/zinc/42/70/85/560427085.db2.gz YWRPSNNYICLHAC-UHFFFAOYSA-N 0 3 372.469 2.298 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCc3c(cccc3C(=O)OC)C2)CC1 ZINC000454537528 560448629 /nfs/dbraw/zinc/44/86/29/560448629.db2.gz HJWGCCJQWIZRLG-UHFFFAOYSA-N 0 3 357.454 2.191 20 30 FEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455748323 560493713 /nfs/dbraw/zinc/49/37/13/560493713.db2.gz AAQCGEBZOJWQAO-CYBMUJFWSA-N 0 3 351.838 2.181 20 30 FEEDHN CN(C)CCOc1cnccc1CNC(=O)Nc1cccc(CC#N)c1 ZINC000455901294 560499703 /nfs/dbraw/zinc/49/97/03/560499703.db2.gz DTDDUVIYVOESIV-UHFFFAOYSA-N 0 3 353.426 2.410 20 30 FEEDHN Cc1ncccc1NC(=O)[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457247675 560558155 /nfs/dbraw/zinc/55/81/55/560558155.db2.gz WRAZFVUNZCHWPN-YOEHRIQHSA-N 0 3 361.405 2.087 20 30 FEEDHN CC(C)(CC#N)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000458520907 560629435 /nfs/dbraw/zinc/62/94/35/560629435.db2.gz WWLXGEVSKLWOKI-UHFFFAOYSA-N 0 3 358.486 2.382 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2ccnc3ccccc32)CC1 ZINC000459476615 560688778 /nfs/dbraw/zinc/68/87/78/560688778.db2.gz GFTNKRFCHIQQOF-KRWDZBQOSA-N 0 3 365.481 2.365 20 30 FEEDHN CC(C)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCCC1 ZINC000459528833 560692203 /nfs/dbraw/zinc/69/22/03/560692203.db2.gz KBFZDDDWTKCJKI-GOSISDBHSA-N 0 3 364.511 2.499 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000459866745 560714760 /nfs/dbraw/zinc/71/47/60/560714760.db2.gz LGLQFRXIONGSSH-MRXNPFEDSA-N 0 3 361.511 2.350 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000460054686 560731867 /nfs/dbraw/zinc/73/18/67/560731867.db2.gz DNFFNISTFOGRPN-IBGZPJMESA-N 0 3 357.498 2.186 20 30 FEEDHN COC(=O)[C@@H](Nc1cccc(CN2CC[C@H](O)C2)c1)c1cccc(C#N)c1 ZINC000461098376 560761267 /nfs/dbraw/zinc/76/12/67/560761267.db2.gz OVFJCVBGLZARGZ-PMACEKPBSA-N 0 3 365.433 2.451 20 30 FEEDHN CN(CCNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)Cc1ccccc1 ZINC000462140444 560798898 /nfs/dbraw/zinc/79/88/98/560798898.db2.gz QGNJCVSVOYQGOJ-UHFFFAOYSA-N 0 3 364.449 2.463 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C(=O)OC)[C@H]1C)C(C)C ZINC000468434048 560929847 /nfs/dbraw/zinc/92/98/47/560929847.db2.gz CHOAOTDYPYMELI-IXDOHACOSA-N 0 3 351.491 2.278 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000469523004 560957091 /nfs/dbraw/zinc/95/70/91/560957091.db2.gz BRYMYWJBKLVIRY-IBGZPJMESA-N 0 3 364.449 2.307 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000470170412 560975939 /nfs/dbraw/zinc/97/59/39/560975939.db2.gz UMZVTXIHFNKFKC-SFHVURJKSA-N 0 3 357.502 2.479 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000470742235 560988400 /nfs/dbraw/zinc/98/84/00/560988400.db2.gz AHNLVXKOAHXMSB-MRXNPFEDSA-N 0 3 363.377 2.377 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000470892512 560993096 /nfs/dbraw/zinc/99/30/96/560993096.db2.gz SHPMWUVLYLCAKZ-FQEVSTJZSA-N 0 3 369.428 2.461 20 30 FEEDHN Cn1cc(C#N)cc1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000471561780 561007331 /nfs/dbraw/zinc/00/73/31/561007331.db2.gz CWKKDGNQXZRMOD-UHFFFAOYSA-N 0 3 370.428 2.309 20 30 FEEDHN CCCCN(C)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471957414 561015030 /nfs/dbraw/zinc/01/50/30/561015030.db2.gz UZEXQOTXYOHULS-SFHVURJKSA-N 0 3 357.502 2.326 20 30 FEEDHN CN(C)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1 ZINC000473911101 561060400 /nfs/dbraw/zinc/06/04/00/561060400.db2.gz NSNTUYIZWJSBQJ-MRXNPFEDSA-N 0 3 353.463 2.486 20 30 FEEDHN CC(C)[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)N1CCN(C)CC1 ZINC000475940575 561108194 /nfs/dbraw/zinc/10/81/94/561108194.db2.gz TWNOKQALLFWYIL-UXHICEINSA-N 0 3 356.514 2.462 20 30 FEEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2C#N)CCN1Cc1ccccc1 ZINC000476083186 561111061 /nfs/dbraw/zinc/11/10/61/561111061.db2.gz BEFROPUIJSXZGJ-WBVHZDCISA-N 0 3 351.454 2.417 20 30 FEEDHN CCN(CC)C[C@H](C)NC(=O)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000477063002 561135670 /nfs/dbraw/zinc/13/56/70/561135670.db2.gz ZFJIQBATWOLWPZ-KRWDZBQOSA-N 0 3 372.513 2.389 20 30 FEEDHN CCOC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000528722837 562343887 /nfs/dbraw/zinc/34/38/87/562343887.db2.gz IURYQUBQNCDEQR-KBPBESRZSA-N 0 3 359.451 2.210 20 30 FEEDHN CN(C)CCOc1ccc(CCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530674586 562420190 /nfs/dbraw/zinc/42/01/90/562420190.db2.gz MSSOFHYCXZNOGJ-UHFFFAOYSA-N 0 3 351.450 2.400 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000532108378 562467110 /nfs/dbraw/zinc/46/71/10/562467110.db2.gz OVWRRRGQJCDLPV-HZSPNIEDSA-N 0 3 353.463 2.342 20 30 FEEDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000534725059 562541187 /nfs/dbraw/zinc/54/11/87/562541187.db2.gz HGYQPAMKAUNJPT-SFHVURJKSA-N 0 3 353.422 2.306 20 30 FEEDHN N#Cc1ccc2ncc(CNCCN3CCN(c4ccccc4)CC3)n2c1 ZINC000537211768 562587916 /nfs/dbraw/zinc/58/79/16/562587916.db2.gz XEISDLGZVHOERQ-UHFFFAOYSA-N 0 3 360.465 2.118 20 30 FEEDHN CCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC1CC1 ZINC000537249033 562588780 /nfs/dbraw/zinc/58/87/80/562588780.db2.gz OHNWPYILQHBJBB-LJQANCHMSA-N 0 3 358.461 2.266 20 30 FEEDHN N#CC1(C[C@@H](O)CN[C@H](CO)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000601968062 567889654 /nfs/dbraw/zinc/88/96/54/567889654.db2.gz LJOABJGRHDMFNC-HZPDHXFCSA-N 0 3 372.387 2.400 20 30 FEEDHN C=CCNC(=O)[C@@H](C)Sc1nnc(CCN2CCCCC2)n1CC=C ZINC000601983796 567896174 /nfs/dbraw/zinc/89/61/74/567896174.db2.gz WAXMWTRPWPYPPS-OAHLLOKOSA-N 0 3 363.531 2.275 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C)N1CC#N ZINC000602852595 568001557 /nfs/dbraw/zinc/00/15/57/568001557.db2.gz DCDZXKHTAJWQQI-SBHAEUEKSA-N 0 3 356.514 2.196 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-n2cnnn2)c(C)c1)C(C)C ZINC000603287918 568083066 /nfs/dbraw/zinc/08/30/66/568083066.db2.gz WZVJDIVWMMKHMW-IBGZPJMESA-N 0 3 368.485 2.399 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)cc1 ZINC000810534546 674549208 /nfs/dbraw/zinc/54/92/08/674549208.db2.gz WAOSVPNUDXOULP-DZGCQCFKSA-N 0 3 359.451 2.179 20 30 FEEDHN COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826176720 608468899 /nfs/dbraw/zinc/46/88/99/608468899.db2.gz AMWWSIFUFOERND-CYBMUJFWSA-N 0 3 364.409 2.477 20 30 FEEDHN COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826176720 608468900 /nfs/dbraw/zinc/46/89/00/608468900.db2.gz AMWWSIFUFOERND-CYBMUJFWSA-N 0 3 364.409 2.477 20 30 FEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000563448253 674890345 /nfs/dbraw/zinc/89/03/45/674890345.db2.gz RYKMOASVRRVQOL-ZDUSSCGKSA-N 0 3 362.861 2.387 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000563720177 674932947 /nfs/dbraw/zinc/93/29/47/674932947.db2.gz ACVPSAQDYBGMCS-DYVFJYSZSA-N 0 3 351.447 2.086 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO ZINC000564898033 675073102 /nfs/dbraw/zinc/07/31/02/675073102.db2.gz DHNJNMVBFMXRAD-AWEZNQCLSA-N 0 3 361.833 2.155 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000570202436 670677854 /nfs/dbraw/zinc/67/78/54/670677854.db2.gz IUPFOWGZFMWDRM-HOTGVXAUSA-N 0 3 367.291 2.091 20 30 FEEDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000565530550 675129719 /nfs/dbraw/zinc/12/97/19/675129719.db2.gz VEDIRVNXCTWQLT-ZDUSSCGKSA-N 0 3 372.288 2.035 20 30 FEEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCS(C)(=O)=O ZINC000108937898 670834652 /nfs/dbraw/zinc/83/46/52/670834652.db2.gz KHWFCKHEAVEZPJ-HNNXBMFYSA-N 0 3 364.467 2.284 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000122219813 671964002 /nfs/dbraw/zinc/96/40/02/671964002.db2.gz TZDDEVRIOUACCK-ZDUSSCGKSA-N 0 3 365.480 2.107 20 30 FEEDHN N#CC(C(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1 ZINC000124448546 671997460 /nfs/dbraw/zinc/99/74/60/671997460.db2.gz PUFLPJHKLKSIJT-HNNXBMFYSA-N 0 3 361.829 2.181 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000125193382 672008106 /nfs/dbraw/zinc/00/81/06/672008106.db2.gz HOUJHUYKNIPSGU-CYBMUJFWSA-N 0 3 361.423 2.116 20 30 FEEDHN CN(CCN1CCN(Cc2nc(C#N)cs2)CC1)Cc1ccccc1 ZINC000583006609 672053824 /nfs/dbraw/zinc/05/38/24/672053824.db2.gz CXZPVXUNCQHCSR-UHFFFAOYSA-N 0 3 355.511 2.264 20 30 FEEDHN N#CC(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC1CC1 ZINC000129269740 672060005 /nfs/dbraw/zinc/06/00/05/672060005.db2.gz VGWHEXAQTITEGJ-ZDUSSCGKSA-N 0 3 358.785 2.310 20 30 FEEDHN CC(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000130154306 672071769 /nfs/dbraw/zinc/07/17/69/672071769.db2.gz QUZZLGJZAYTCJB-ZDUSSCGKSA-N 0 3 365.792 2.385 20 30 FEEDHN CNC(=O)C(C#N)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000133462771 672111274 /nfs/dbraw/zinc/11/12/74/672111274.db2.gz KDXDALQGVUXTQD-CYBMUJFWSA-N 0 3 363.826 2.373 20 30 FEEDHN C#CCCOc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000159426732 672281968 /nfs/dbraw/zinc/28/19/68/672281968.db2.gz XRJDVCVJPHQGPI-SFHVURJKSA-N 0 3 364.511 2.383 20 30 FEEDHN CN(C)C[C@H]1CN(S(=O)(=O)CC(C)(C)CC#N)c2ccccc2O1 ZINC000590749693 672609673 /nfs/dbraw/zinc/60/96/73/672609673.db2.gz HRGBZSACXRXTGB-AWEZNQCLSA-N 0 3 351.472 2.085 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000591029350 672643036 /nfs/dbraw/zinc/64/30/36/672643036.db2.gz JJOLPMQQFITPHX-KBRIMQKVSA-N 0 3 355.463 2.479 20 30 FEEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193402035 672722909 /nfs/dbraw/zinc/72/29/09/672722909.db2.gz USLVUNFYMNOGIS-CABZTGNLSA-N 0 3 363.830 2.297 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000592298857 672783024 /nfs/dbraw/zinc/78/30/24/672783024.db2.gz VBQGCRVVEMUOEO-AWEZNQCLSA-N 0 3 362.440 2.210 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000246465497 672837273 /nfs/dbraw/zinc/83/72/73/672837273.db2.gz ALGXHSYVDJEYOQ-BFHYXJOUSA-N 0 3 350.365 2.320 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000592963289 672859724 /nfs/dbraw/zinc/85/97/24/672859724.db2.gz LCFYRAQOQZJORV-CHWSQXEVSA-N 0 3 356.348 2.101 20 30 FEEDHN C[NH+](C)C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000593618150 672959358 /nfs/dbraw/zinc/95/93/58/672959358.db2.gz YYQPSIKEDPXLHI-CYBMUJFWSA-N 0 3 367.858 2.428 20 30 FEEDHN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594426812 673070714 /nfs/dbraw/zinc/07/07/14/673070714.db2.gz SDSUJWUOSUSQGX-OAHLLOKOSA-N 0 3 366.487 2.113 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000594441312 673071656 /nfs/dbraw/zinc/07/16/56/673071656.db2.gz QTEZPJXMCOWIGO-AWEZNQCLSA-N 0 3 370.284 2.448 20 30 FEEDHN CN1CC[C@H](NC(=O)[C@H](N)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594445834 673072878 /nfs/dbraw/zinc/07/28/78/673072878.db2.gz KYFZGEBVBMWIPH-IKGGRYGDSA-N 0 3 350.413 2.237 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000594445463 673073064 /nfs/dbraw/zinc/07/30/64/673073064.db2.gz GFTQYTREBFDHNX-CQSZACIVSA-N 0 3 357.483 2.356 20 30 FEEDHN CNC(=O)c1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000728763010 673210773 /nfs/dbraw/zinc/21/07/73/673210773.db2.gz ANQQMKAFMANUSA-ZDUSSCGKSA-N 0 3 356.769 2.056 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000595256003 673213977 /nfs/dbraw/zinc/21/39/77/673213977.db2.gz IQRBPDZPWRQPDS-GJZGRUSLSA-N 0 3 366.259 2.370 20 30 FEEDHN CNC(=O)[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729471124 673235963 /nfs/dbraw/zinc/23/59/63/673235963.db2.gz UOWHGKPYBGFGNA-GXTWGEPZSA-N 0 3 356.451 2.073 20 30 FEEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000613389984 676127095 /nfs/dbraw/zinc/12/70/95/676127095.db2.gz OMMWELGWFBFQPW-HNAYVOBHSA-N 0 3 358.463 2.086 20 30 FEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000598724862 673603705 /nfs/dbraw/zinc/60/37/05/673603705.db2.gz RYWJBZQOOKPDMI-DOMZBBRYSA-N 0 3 353.825 2.475 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000598829348 673614967 /nfs/dbraw/zinc/61/49/67/673614967.db2.gz YZGMNXKFLZFXQR-NWDGAFQWSA-N 0 3 358.316 2.489 20 30 FEEDHN C[C@@](O)(C1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1)C(F)(F)F ZINC000599367003 673664703 /nfs/dbraw/zinc/66/47/03/673664703.db2.gz ZZHGFOPXNJOABE-LSDHHAIUSA-N 0 3 364.408 2.083 20 30 FEEDHN N#CC(C(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccccc1Cl ZINC000741111292 673671281 /nfs/dbraw/zinc/67/12/81/673671281.db2.gz JRYTXMURVLHWLW-LLVKDONJSA-N 0 3 361.745 2.182 20 30 FEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000600754822 673796591 /nfs/dbraw/zinc/79/65/91/673796591.db2.gz CHTAXMCQMDDUAH-TZMCWYRMSA-N 0 3 351.809 2.229 20 30 FEEDHN N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000601376658 673851525 /nfs/dbraw/zinc/85/15/25/673851525.db2.gz NMOQYQPZJIVRAJ-WMZOPIPTSA-N 0 3 359.495 2.390 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000601415018 673858339 /nfs/dbraw/zinc/85/83/39/673858339.db2.gz PGYUEHNCLGRZFP-BBRMVZONSA-N 0 3 351.447 2.253 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000601415287 673858808 /nfs/dbraw/zinc/85/88/08/673858808.db2.gz RPESXMGBCOXFAI-XYPWUTKMSA-N 0 3 351.447 2.252 20 30 FEEDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000601421614 673859825 /nfs/dbraw/zinc/85/98/25/673859825.db2.gz IILROSIEZQAXFF-GXFFZTMASA-N 0 3 361.389 2.290 20 30 FEEDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000601422575 673860101 /nfs/dbraw/zinc/86/01/01/673860101.db2.gz SWPIZEYKFQXVBI-IINYFYTJSA-N 0 3 361.389 2.290 20 30 FEEDHN N#Cc1ccc(NC(=O)Cn2cc(CNC3CCCC3)nn2)cc1Cl ZINC000603170816 673918571 /nfs/dbraw/zinc/91/85/71/673918571.db2.gz IJRCMVNXSTUXED-UHFFFAOYSA-N 0 3 358.833 2.474 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1c1cc(C#N)c(Br)cn1 ZINC000603364848 673926666 /nfs/dbraw/zinc/92/66/66/673926666.db2.gz DRJAJPBDKBEBSE-GFCCVEGCSA-N 0 3 365.275 2.405 20 30 FEEDHN C#CCN(C)CCCNC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000818615830 675228716 /nfs/dbraw/zinc/22/87/16/675228716.db2.gz WZZRULXKCJMOQN-INIZCTEOSA-N 0 3 351.491 2.095 20 30 FEEDHN C#CCO[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000822841091 675510696 /nfs/dbraw/zinc/51/06/96/675510696.db2.gz SUALROUYVSFGSP-CQSZACIVSA-N 0 3 367.287 2.378 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2NCC2(C)C)nc1C ZINC000826530639 675690325 /nfs/dbraw/zinc/69/03/25/675690325.db2.gz HPAIPFIOAMZYPB-JTQLQIEISA-N 0 3 364.500 2.121 20 30 FEEDHN CN1CCN(c2ncc(CNCc3ccc(C#N)c(Cl)c3)cn2)CC1 ZINC000619749036 676393133 /nfs/dbraw/zinc/39/31/33/676393133.db2.gz XTNXQPWVOCTKGH-UHFFFAOYSA-N 0 3 356.861 2.043 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000838624002 680706694 /nfs/dbraw/zinc/70/66/94/680706694.db2.gz BNLHIICAEVHASX-UHFFFAOYSA-N 0 3 362.861 2.309 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](Cn2ccnn2)C1 ZINC000661142564 678440770 /nfs/dbraw/zinc/44/07/70/678440770.db2.gz WXJFSSHACCDCRF-HOTGVXAUSA-N 0 3 359.499 2.265 20 30 FEEDHN C=CC[C@@]1(C(=O)NCc2nc3cc(Br)cnc3[n-]2)CCC[NH2+]1 ZINC000662745505 678657425 /nfs/dbraw/zinc/65/74/25/678657425.db2.gz MNGCIFVXSQPUNI-HNNXBMFYSA-N 0 3 364.247 2.035 20 30 FEEDHN C=CCC1(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCC1 ZINC000663914979 678807987 /nfs/dbraw/zinc/80/79/87/678807987.db2.gz CNRQJTZWZJEIKC-INIZCTEOSA-N 0 3 350.507 2.117 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN(CCc2ccns2)C1 ZINC001023376074 680257641 /nfs/dbraw/zinc/25/76/41/680257641.db2.gz VNTIIQVRBGVTTN-NXHRZFHOSA-N 0 3 363.527 2.495 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cn(CC2CC2)nn1 ZINC000835064629 680292581 /nfs/dbraw/zinc/29/25/81/680292581.db2.gz GKTDDDNHKDEDJF-NSHDSACASA-N 0 3 361.764 2.442 20 30 FEEDHN CO[C@@H]1COCC[C@H]1CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835340213 680321270 /nfs/dbraw/zinc/32/12/70/680321270.db2.gz KIAYLSCYJBKEFD-JLJPHGGASA-N 0 3 364.829 2.107 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC000986424505 680511585 /nfs/dbraw/zinc/51/15/85/680511585.db2.gz IGNUYMYMIWXCSJ-PMPSAXMXSA-N 0 3 369.937 2.412 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2nnc(C)s2)CC1 ZINC001050367892 681046473 /nfs/dbraw/zinc/04/64/73/681046473.db2.gz BQTIJAPOIWZHFS-FPCVCCKLSA-N 0 3 364.515 2.202 20 30 FEEDHN N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000772957470 681120040 /nfs/dbraw/zinc/12/00/40/681120040.db2.gz CIVPJVXMBNQXKD-GUYCJALGSA-N 0 3 363.458 2.335 20 30 FEEDHN C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@H]2CCN2C(C)(C)C)c1 ZINC000845739008 681149743 /nfs/dbraw/zinc/14/97/43/681149743.db2.gz DJGPXYFKAYHDFR-OAHLLOKOSA-N 0 3 366.483 2.181 20 30 FEEDHN CS(=O)(=O)N1CCC(CC(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000847627797 681407836 /nfs/dbraw/zinc/40/78/36/681407836.db2.gz BQFPVZSUPHCBBS-CYBMUJFWSA-N 0 3 361.423 2.066 20 30 FEEDHN COc1ccc(C[C@@](C)(CO)NCC(=O)Nc2sccc2C#N)cc1 ZINC000933428282 681410455 /nfs/dbraw/zinc/41/04/55/681410455.db2.gz LDFVKPUMSBTQPF-SFHVURJKSA-N 0 3 359.451 2.150 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000777293484 681479535 /nfs/dbraw/zinc/47/95/35/681479535.db2.gz VKJWTZMZGQHMRM-CQSZACIVSA-N 0 3 351.447 2.259 20 30 FEEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(Cl)n1 ZINC000780308704 681813498 /nfs/dbraw/zinc/81/34/98/681813498.db2.gz COWLQSRPMQJILU-LLVKDONJSA-N 0 3 357.753 2.467 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](OC)[C@@H]2CCOC2)cc1Cl ZINC000850760901 681957549 /nfs/dbraw/zinc/95/75/49/681957549.db2.gz FMHXICVDVIBBJX-SIVJFFJCSA-N 0 3 366.801 2.047 20 30 FEEDHN COCCO[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000781963389 681992544 /nfs/dbraw/zinc/99/25/44/681992544.db2.gz WOMDLIATABHPDE-KBPBESRZSA-N 0 3 359.451 2.210 20 30 FEEDHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1 ZINC000915053757 685511590 /nfs/dbraw/zinc/51/15/90/685511590.db2.gz YHUPRFZWMVFLLA-CQSZACIVSA-N 0 3 370.544 2.085 20 30 FEEDHN CC(=O)N[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917135539 685529909 /nfs/dbraw/zinc/52/99/09/685529909.db2.gz FOOCCKXIYDXJAH-KGLIPLIRSA-N 0 3 356.451 2.073 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCn1cc(Br)cn1 ZINC000917425410 685532089 /nfs/dbraw/zinc/53/20/89/685532089.db2.gz UDZIDJUDPHZOAD-CYBMUJFWSA-N 0 3 369.263 2.441 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)CN(CC(CC)CC)CCO2 ZINC000972562010 682422483 /nfs/dbraw/zinc/42/24/83/682422483.db2.gz ZGSVTENNDLPEJH-WSTZPKSXSA-N 0 3 350.503 2.317 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C ZINC000854663697 682577011 /nfs/dbraw/zinc/57/70/11/682577011.db2.gz DCTIHZCKDCZOLZ-OAHLLOKOSA-N 0 3 351.491 2.093 20 30 FEEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](C)S1=O ZINC000792395865 682808909 /nfs/dbraw/zinc/80/89/09/682808909.db2.gz ZJLCVUVAMQOYBS-JHJVBQTASA-N 0 3 361.492 2.314 20 30 FEEDHN C#CCN(C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)C1CCN(C)CC1 ZINC000921701965 683549023 /nfs/dbraw/zinc/54/90/23/683549023.db2.gz VOUSIHWCUGKPAK-OAGGEKHMSA-N 0 3 353.557 2.105 20 30 FEEDHN N#Cc1cc(CNCCN2CCN(C(=O)C3CCCCC3)CC2)cs1 ZINC000921736751 683561500 /nfs/dbraw/zinc/56/15/00/683561500.db2.gz KSEHISUZIDQAIR-UHFFFAOYSA-N 0 3 360.527 2.434 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000930495245 683742959 /nfs/dbraw/zinc/74/29/59/683742959.db2.gz ACYBKSLUWPSKRE-MRXNPFEDSA-N 0 3 361.511 2.469 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000922630007 683758251 /nfs/dbraw/zinc/75/82/51/683758251.db2.gz NJZINLQSOANKNT-HNNXBMFYSA-N 0 3 360.527 2.476 20 30 FEEDHN C[C@]1(NC(=O)Cc2ccc(Br)cc2C#N)CN2CCC1CC2 ZINC000864085312 683800681 /nfs/dbraw/zinc/80/06/81/683800681.db2.gz UYOPEJALTKRWPV-KRWDZBQOSA-N 0 3 362.271 2.464 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C2OCCO2)C1 ZINC000932003599 684386543 /nfs/dbraw/zinc/38/65/43/684386543.db2.gz WRXKTQZTDKQVNO-LSDHHAIUSA-N 0 3 350.484 2.346 20 30 FEEDHN N#Cc1cc(F)c(N2C[C@@H]3CCCN3C[C@@H]2CO)cc1Br ZINC000872758413 685013519 /nfs/dbraw/zinc/01/35/19/685013519.db2.gz ZOKOQNLNKNUMBA-NWDGAFQWSA-N 0 3 354.223 2.105 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000876613634 686228612 /nfs/dbraw/zinc/22/86/12/686228612.db2.gz GGGHKJOTKPRTOQ-XEZPLFJOSA-N 0 3 365.861 2.344 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000876624396 686231477 /nfs/dbraw/zinc/23/14/77/686231477.db2.gz LSUURSLRLJFYIM-OAHLLOKOSA-N 0 3 370.280 2.023 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCSC)c1nnc2ccccn21 ZINC000876713480 686251416 /nfs/dbraw/zinc/25/14/16/686251416.db2.gz JTIIKYUPZXLXPU-VXGBXAGGSA-N 0 3 353.879 2.110 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000876880284 686287121 /nfs/dbraw/zinc/28/71/21/686287121.db2.gz SIEHIIHIYUSOTL-LBPRGKRZSA-N 0 3 361.225 2.017 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000876886467 686287684 /nfs/dbraw/zinc/28/76/84/686287684.db2.gz XRWYZBYAZZQXMN-HNNXBMFYSA-N 0 3 350.850 2.141 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000876902456 686291527 /nfs/dbraw/zinc/29/15/27/686291527.db2.gz CQKMBFUQLOTBBY-HUUCEWRRSA-N 0 3 353.894 2.098 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000876902756 686291658 /nfs/dbraw/zinc/29/16/58/686291658.db2.gz GLLHKNSKBAYGOV-GZBFAFLISA-N 0 3 356.253 2.198 20 30 FEEDHN CNS(=O)(=O)c1ccc(N2CCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000880267220 687025065 /nfs/dbraw/zinc/02/50/65/687025065.db2.gz KZLPVPLTXYHVKG-UHFFFAOYSA-N 0 3 364.515 2.047 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]3CCNC(=O)[C@@H]32)cc1Cl ZINC000880527862 687057939 /nfs/dbraw/zinc/05/79/39/687057939.db2.gz VTEWVTPACXFMQJ-YVEFUNNKSA-N 0 3 360.845 2.141 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000884160711 687804615 /nfs/dbraw/zinc/80/46/15/687804615.db2.gz MEFHYLMNPUJAFE-INIZCTEOSA-N 0 3 362.499 2.190 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccc(OC(F)F)cc1F)C2 ZINC000884468629 687876960 /nfs/dbraw/zinc/87/69/60/687876960.db2.gz IMTNFNSIXPTFIH-VMBJYNEYSA-N 0 3 353.344 2.183 20 30 FEEDHN C#CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)C1CCN(C)CC1 ZINC000886573304 688278390 /nfs/dbraw/zinc/27/83/90/688278390.db2.gz DOKSYDZYSMPMID-UHFFFAOYSA-N 0 3 351.491 2.188 20 30 FEEDHN C#CCC1(NCC(=O)Nc2nnc(CCCCC)s2)CCOCC1 ZINC000887123168 688369895 /nfs/dbraw/zinc/36/98/95/688369895.db2.gz BZLPQJFAJOKAOG-UHFFFAOYSA-N 0 3 350.488 2.371 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)NCc2nc(C#N)cs2)CN1Cc1ccccc1 ZINC000893621235 689376491 /nfs/dbraw/zinc/37/64/91/689376491.db2.gz LCGRGXJYQIRYCM-DZGCQCFKSA-N 0 3 355.467 2.477 20 30 FEEDHN CSc1ccc([C@@H](CNC(=O)N2CCO[C@](C)(C#N)C2)N(C)C)cc1 ZINC000895058197 689650348 /nfs/dbraw/zinc/65/03/48/689650348.db2.gz JNNZIEFCUQXCKA-SJLPKXTDSA-N 0 3 362.499 2.335 20 30 FEEDHN COC(=O)[C@@H]1[C@@H](CNC2(c3ccc(C#N)cc3)CCOCC2)C1(F)F ZINC000895405574 689710540 /nfs/dbraw/zinc/71/05/40/689710540.db2.gz LKGAKIMQTGFGPP-CABCVRRESA-N 0 3 350.365 2.208 20 30 FEEDHN C#C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccc(Cl)cc1 ZINC000895684897 689754422 /nfs/dbraw/zinc/75/44/22/689754422.db2.gz GTAAGTPSEGCHAX-RCCFBDPRSA-N 0 3 361.873 2.255 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cn(CC)nn1 ZINC000901425376 690645755 /nfs/dbraw/zinc/64/57/55/690645755.db2.gz QXKKQATXVVITLW-UHFFFAOYSA-N 0 3 361.519 2.396 20 30 FEEDHN C=CCC[C@H](Cc1ccccc1)NCCS(=O)(=O)N=S(C)(C)=O ZINC000903227032 690869884 /nfs/dbraw/zinc/86/98/84/690869884.db2.gz QMQPXMRIQHZUDC-MRXNPFEDSA-N 0 3 358.529 2.211 20 30 FEEDHN C=CCC[C@@H](Cc1ccccc1)NCCS(=O)(=O)N=S(C)(C)=O ZINC000903227031 690870059 /nfs/dbraw/zinc/87/00/59/690870059.db2.gz QMQPXMRIQHZUDC-INIZCTEOSA-N 0 3 358.529 2.211 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN1CC(Cc2cccc(Br)c2)C1 ZINC000905977324 691205002 /nfs/dbraw/zinc/20/50/02/691205002.db2.gz HFMJLXOQRDZKNF-QGZVFWFLSA-N 0 3 366.303 2.130 20 30 FEEDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907205762 691422336 /nfs/dbraw/zinc/42/23/36/691422336.db2.gz HDUJIIYRAAHUSX-QMTHXVAHSA-N 0 3 372.288 2.034 20 30 FEEDHN C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164732043 720436097 /nfs/dbraw/zinc/43/60/97/720436097.db2.gz MWZSBYKIXZFSPI-MOPGFXCFSA-N 0 3 363.465 2.246 20 30 FEEDHN N#Cc1ccc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164741592 720676869 /nfs/dbraw/zinc/67/68/69/720676869.db2.gz UHRUFVVHCAJLGU-QZTJIDSGSA-N 0 3 372.432 2.238 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@@H]3C2)cn1 ZINC001164761053 721091965 /nfs/dbraw/zinc/09/19/65/721091965.db2.gz ALNHMURJKAABKW-ROUUACIJSA-N 0 3 373.464 2.193 20 30 FEEDHN Cc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(C#N)n1 ZINC001164903343 721539134 /nfs/dbraw/zinc/53/91/34/721539134.db2.gz CDFBZGAKXSZZTQ-DOTOQJQBSA-N 0 3 353.401 2.138 20 30 FEEDHN CCN1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000513101398 810775337 /nfs/dbraw/zinc/77/53/37/810775337.db2.gz GQOVOUJHBKMLNE-UHFFFAOYSA-N 0 3 356.405 2.443 20 30 FEEDHN N#CC1(CCCOC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)CCOCC1 ZINC000800131337 674022684 /nfs/dbraw/zinc/02/26/84/674022684.db2.gz OMXILTFTBUAPTB-RYUDHWBXSA-N 0 3 362.348 2.087 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(I)ccc1F ZINC000818599485 675227557 /nfs/dbraw/zinc/22/75/57/675227557.db2.gz SVNORLDSBCTJLA-UHFFFAOYSA-N 0 3 374.197 2.115 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)COc2ccsc2)cc1 ZINC000800386323 674047801 /nfs/dbraw/zinc/04/78/01/674047801.db2.gz JHPLIABPVURODM-MRXNPFEDSA-N 0 3 358.419 2.203 20 30 FEEDHN N#CC(C(=O)COc1ccsc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000800387248 674047875 /nfs/dbraw/zinc/04/78/75/674047875.db2.gz QMRAQOXNBKWTOC-ZDUSSCGKSA-N 0 3 358.375 2.246 20 30 FEEDHN N#CC(C(=O)COc1ccsc1)C(=O)NCc1ccc(F)c(F)c1 ZINC000800410675 674049987 /nfs/dbraw/zinc/04/99/87/674049987.db2.gz ZADJSLYRCOTADK-LBPRGKRZSA-N 0 3 350.346 2.430 20 30 FEEDHN N#Cc1ccc(CN2CCCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1 ZINC000021405852 539682998 /nfs/dbraw/zinc/68/29/98/539682998.db2.gz LVKLZFMQHRDLPT-UHFFFAOYSA-N 0 3 373.460 2.274 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)NCC#Cc2ccccc2)c1 ZINC000045430898 540212690 /nfs/dbraw/zinc/21/26/90/540212690.db2.gz YZLXMYYYLFBIDC-UHFFFAOYSA-N 0 3 351.450 2.478 20 30 FEEDHN COc1ncccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000045965834 540235918 /nfs/dbraw/zinc/23/59/18/540235918.db2.gz JLQLBDCBGKNTLX-UHFFFAOYSA-N 0 3 367.453 2.235 20 30 FEEDHN CN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000046343131 540252503 /nfs/dbraw/zinc/25/25/03/540252503.db2.gz IVWSWGMBKKQTQK-QGZVFWFLSA-N 0 3 354.406 2.201 20 30 FEEDHN CC1CCN(CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000046369733 540253789 /nfs/dbraw/zinc/25/37/89/540253789.db2.gz IFZUOUNFHBKYBR-UHFFFAOYSA-N 0 3 373.476 2.261 20 30 FEEDHN Cc1c([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1C ZINC000047006351 540284250 /nfs/dbraw/zinc/28/42/50/540284250.db2.gz ZFCDAFIXLHRSSB-OAHLLOKOSA-N 0 3 368.485 2.435 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000050173935 540402320 /nfs/dbraw/zinc/40/23/20/540402320.db2.gz HWQQQWNTOMYMIR-AWEZNQCLSA-N 0 3 372.469 2.132 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132417 540423569 /nfs/dbraw/zinc/42/35/69/540423569.db2.gz XPWPPPIPNRSYAC-RYQLBKOJSA-N 0 3 359.470 2.486 20 30 FEEDHN CCCCNC(=O)C1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000051182653 540425873 /nfs/dbraw/zinc/42/58/73/540425873.db2.gz KXMZCPSDNSWZFR-IBGZPJMESA-N 0 3 373.497 2.121 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCN(CC3CC3)CC1)CCC2 ZINC000053238006 540519753 /nfs/dbraw/zinc/51/97/53/540519753.db2.gz BEWVKLDOYNRZAR-UHFFFAOYSA-N 0 3 358.511 2.465 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)N(C)C ZINC000054848899 540614363 /nfs/dbraw/zinc/61/43/63/540614363.db2.gz JPDRWAWGMWXFMY-INIZCTEOSA-N 0 3 374.485 2.376 20 30 FEEDHN Cc1cc(=NC(=O)NC[C@H](Cc2ccccc2)N(C)C)[nH]n1CCC#N ZINC000538616767 540873250 /nfs/dbraw/zinc/87/32/50/540873250.db2.gz XMFALOHRCOLEKJ-KRWDZBQOSA-N 0 3 354.458 2.400 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000061649920 541136859 /nfs/dbraw/zinc/13/68/59/541136859.db2.gz PZWIBOOHIXICIC-XJMNNFRSSA-N 0 3 372.465 2.253 20 30 FEEDHN N#CCCN(C(=O)CCC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000066638900 541352796 /nfs/dbraw/zinc/35/27/96/541352796.db2.gz JYCARHVTPMYXHF-SFHVURJKSA-N 0 3 368.481 2.314 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)N1CCC(C)CC1 ZINC000067764151 541510460 /nfs/dbraw/zinc/51/04/60/541510460.db2.gz LEQMYSOOIRSWDT-CYBMUJFWSA-N 0 3 362.861 2.387 20 30 FEEDHN C[C@H](OC[C@@H]1CCCCO1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000069354569 541679949 /nfs/dbraw/zinc/67/99/49/541679949.db2.gz CMIOLGWCTRMLGU-PXNSSMCTSA-N 0 3 373.497 2.423 20 30 FEEDHN COCCOC[C@H]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000072796256 541866397 /nfs/dbraw/zinc/86/63/97/541866397.db2.gz GAJSIWJJTBCTDK-NNVNDSJASA-N 0 3 365.518 2.291 20 30 FEEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1N1CCNC1=O ZINC000076764222 542320872 /nfs/dbraw/zinc/32/08/72/542320872.db2.gz RBDVFRWYOHQLKA-GFCCVEGCSA-N 0 3 356.407 2.480 20 30 FEEDHN CCN1CC[C@@H](NCC(=O)NCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801958066 674157122 /nfs/dbraw/zinc/15/71/22/674157122.db2.gz WHKZKHLNJNCJLN-NVXWUHKLSA-N 0 3 352.841 2.234 20 30 FEEDHN N#CCCCOc1cccc(NC(=O)C(=O)NCCN2CCCCCC2)c1 ZINC000080172023 542570948 /nfs/dbraw/zinc/57/09/48/542570948.db2.gz GTJCPZZNBXNXFM-UHFFFAOYSA-N 0 3 372.469 2.300 20 30 FEEDHN CN(C)CCN1C[C@@H](C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CC1=O ZINC000081368467 542651494 /nfs/dbraw/zinc/65/14/94/542651494.db2.gz PVIWVJNFYGUHMJ-FUHWJXTLSA-N 0 3 370.497 2.075 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(=O)[nH]c3ccccc23)CC1 ZINC000085403141 542726229 /nfs/dbraw/zinc/72/62/29/542726229.db2.gz DGMSRGZSOVVXIT-UHFFFAOYSA-N 0 3 354.454 2.368 20 30 FEEDHN CN(C)CCN(Cc1ccco1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000088595279 542753851 /nfs/dbraw/zinc/75/38/51/542753851.db2.gz VHZBWFULHISSRO-UHFFFAOYSA-N 0 3 356.426 2.303 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000092895138 542894503 /nfs/dbraw/zinc/89/45/03/542894503.db2.gz TUKNYDCOXHZODW-UHFFFAOYSA-N 0 3 351.454 2.097 20 30 FEEDHN COCc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ncn1 ZINC000093319899 542925890 /nfs/dbraw/zinc/92/58/90/542925890.db2.gz KSZDZSAJNZBKBH-UHFFFAOYSA-N 0 3 368.441 2.090 20 30 FEEDHN CCCC(=O)NC[C@@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000101966438 543051443 /nfs/dbraw/zinc/05/14/43/543051443.db2.gz UYPOSNAOAIZPGL-OALUTQOASA-N 0 3 373.497 2.121 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3ccncc3)[nH]c2=O)CC1 ZINC000106034018 543186165 /nfs/dbraw/zinc/18/61/65/543186165.db2.gz UENZGIZSARAMPC-UHFFFAOYSA-N 0 3 352.438 2.207 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000109396498 543323322 /nfs/dbraw/zinc/32/33/22/543323322.db2.gz RYTLWWNQBSDOQO-HZPDHXFCSA-N 0 3 359.449 2.060 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C)C(C)C ZINC000112919887 543468758 /nfs/dbraw/zinc/46/87/58/543468758.db2.gz VPRDOKKFESAITF-SFHVURJKSA-N 0 3 356.470 2.295 20 30 FEEDHN N#C[C@H]1CN(C(=O)NC2CCN(C3CC3)CC2)CCN1Cc1ccccc1 ZINC000114585238 543524791 /nfs/dbraw/zinc/52/47/91/543524791.db2.gz JQAXNKORJHTIMI-FQEVSTJZSA-N 0 3 367.497 2.033 20 30 FEEDHN CCN(CCNC(=O)C(=O)Nc1ccccc1SCCC#N)C1CC1 ZINC000118120906 543647079 /nfs/dbraw/zinc/64/70/79/543647079.db2.gz YNQBUKXAITVFGF-UHFFFAOYSA-N 0 3 360.483 2.231 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000118898986 543661368 /nfs/dbraw/zinc/66/13/68/543661368.db2.gz YXSRGFOMCATKJQ-HUUCEWRRSA-N 0 3 374.510 2.477 20 30 FEEDHN CCC(CC)[C@@H](CNCc1cnc2ccc(C#N)cn12)N1CCOCC1 ZINC000123255963 543751155 /nfs/dbraw/zinc/75/11/55/543751155.db2.gz OSBCQGZYJMGETE-LJQANCHMSA-N 0 3 355.486 2.433 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000124451417 543822843 /nfs/dbraw/zinc/82/28/43/543822843.db2.gz YJZPOGQOFAEEOP-AEFFLSMTSA-N 0 3 357.454 2.048 20 30 FEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000126209389 543923850 /nfs/dbraw/zinc/92/38/50/543923850.db2.gz IHXFQCUYNSNNSQ-IBGZPJMESA-N 0 3 360.498 2.489 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000132261638 544224525 /nfs/dbraw/zinc/22/45/25/544224525.db2.gz OIABUYZZYPYFAX-AEFFLSMTSA-N 0 3 355.486 2.119 20 30 FEEDHN CN(C)Cc1cccc(NC(=O)C(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000133074130 544254669 /nfs/dbraw/zinc/25/46/69/544254669.db2.gz DAUXOUVDZVGKAC-UHFFFAOYSA-N 0 3 365.437 2.024 20 30 FEEDHN COCc1nc2n(n1)C[C@H](NCc1cccc(OCCCC#N)c1)CC2 ZINC000151533329 544553226 /nfs/dbraw/zinc/55/32/26/544553226.db2.gz BZRAJKDOFILWEP-MRXNPFEDSA-N 0 3 355.442 2.212 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc1Cl ZINC000151644682 544565740 /nfs/dbraw/zinc/56/57/40/544565740.db2.gz DPCOEARFSBVLMB-ZDUSSCGKSA-N 0 3 353.875 2.318 20 30 FEEDHN CN(C(=O)c1ccc(NC(=O)CSCC#N)cc1)[C@H]1CCCN(C)C1 ZINC000151801341 544582128 /nfs/dbraw/zinc/58/21/28/544582128.db2.gz FEIZBMOYQYTOCZ-INIZCTEOSA-N 0 3 360.483 2.048 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnn(CCCC)c2C)CC1 ZINC000152601919 544672412 /nfs/dbraw/zinc/67/24/12/544672412.db2.gz AHIGIYIUNORCRR-UHFFFAOYSA-N 0 3 361.490 2.087 20 30 FEEDHN CCO[C@@H]1C[C@H](O)C12CCN(CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000152945489 544714870 /nfs/dbraw/zinc/71/48/70/544714870.db2.gz FQSVXOIXNDBKKV-ZWKOTPCHSA-N 0 3 357.454 2.139 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)CN3CCCCC3)CC2)o1 ZINC000189064039 328126469 /nfs/dbraw/zinc/12/64/69/328126469.db2.gz WLYNZFALWQEXBZ-CQSZACIVSA-N 0 3 359.474 2.062 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)ccc1F ZINC000189394106 328145343 /nfs/dbraw/zinc/14/53/43/328145343.db2.gz RVVUURAEAUDWGM-MRXNPFEDSA-N 0 3 358.417 2.113 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088250833 325289304 /nfs/dbraw/zinc/28/93/04/325289304.db2.gz GXHGGEWRDTTZCR-UHFFFAOYSA-N 0 3 357.410 2.129 20 30 FEEDHN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089943756 325344415 /nfs/dbraw/zinc/34/44/15/325344415.db2.gz HYRLHNBHBFHNLP-GJZGRUSLSA-N 0 3 368.485 2.302 20 30 FEEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000120893525 326297048 /nfs/dbraw/zinc/29/70/48/326297048.db2.gz OZGBTHPUPOZPDW-WMZOPIPTSA-N 0 3 373.501 2.404 20 30 FEEDHN CN(C)CCOc1ccccc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130318653 326554758 /nfs/dbraw/zinc/55/47/58/326554758.db2.gz YQPRYQXELVDBOX-UHFFFAOYSA-N 0 3 365.433 2.402 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000132126228 326587426 /nfs/dbraw/zinc/58/74/26/326587426.db2.gz QEQVKPGDKIUURS-CQSZACIVSA-N 0 3 363.483 2.466 20 30 FEEDHN CN1CCC(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000174427788 327326715 /nfs/dbraw/zinc/32/67/15/327326715.db2.gz PNDAEFPNNQQLPJ-UHFFFAOYSA-N 0 3 363.465 2.097 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)c1C#N ZINC000174761563 327349115 /nfs/dbraw/zinc/34/91/15/327349115.db2.gz PHCUDYWRKGMQKZ-QGZVFWFLSA-N 0 3 364.449 2.094 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175969032 327425276 /nfs/dbraw/zinc/42/52/76/327425276.db2.gz HNMPWKLKPLYMCA-MGPQQGTHSA-N 0 3 360.433 2.118 20 30 FEEDHN CN(CCCN1CCN(C)CC1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000264713243 329051908 /nfs/dbraw/zinc/05/19/08/329051908.db2.gz FDEQWMWHTDLXCF-UHFFFAOYSA-N 0 3 372.513 2.203 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000268161140 329391878 /nfs/dbraw/zinc/39/18/78/329391878.db2.gz OMJUKSYCYSTRSF-VQIMIIECSA-N 0 3 367.497 2.263 20 30 FEEDHN N#Cc1ccnc(NCc2ccccc2CN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000268441717 329420128 /nfs/dbraw/zinc/42/01/28/329420128.db2.gz DAZNZPNANKKWSC-UHFFFAOYSA-N 0 3 367.409 2.430 20 30 FEEDHN CCN(CC)C(=O)C[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272480306 329784433 /nfs/dbraw/zinc/78/44/33/329784433.db2.gz AWNMCUZAJGUUDL-QAPCUYQASA-N 0 3 356.470 2.290 20 30 FEEDHN C=CCN(C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1)C(C)C ZINC000806206824 674370631 /nfs/dbraw/zinc/37/06/31/674370631.db2.gz MAHSZMQIOYFSGI-UHFFFAOYSA-N 0 3 367.559 2.277 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C1 ZINC000477517377 561146852 /nfs/dbraw/zinc/14/68/52/561146852.db2.gz XFJNBCBVSFAEPV-QRWLVFNGSA-N 0 3 372.428 2.288 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)c2ccc(C#N)c(Cl)c2)ccn1 ZINC000159553595 545962791 /nfs/dbraw/zinc/96/27/91/545962791.db2.gz KIYFREQNPJSYMR-UHFFFAOYSA-N 0 3 358.829 2.477 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)N3CCC[C@@H](C)C3)cc2C1=O ZINC000478528569 561168915 /nfs/dbraw/zinc/16/89/15/561168915.db2.gz JXIAHUZXQVKZCO-HUUCEWRRSA-N 0 3 369.465 2.319 20 30 FEEDHN NC(CCN1CCN(Cc2ccccc2)CC1)=NOCc1nccs1 ZINC000161334208 546120799 /nfs/dbraw/zinc/12/07/99/546120799.db2.gz WXKZYRVEOHDKOT-UHFFFAOYSA-N 0 3 359.499 2.140 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000171721015 546221509 /nfs/dbraw/zinc/22/15/09/546221509.db2.gz GMPZHAGGUYEZQH-UHFFFAOYSA-N 0 3 370.497 2.259 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000171737585 546222980 /nfs/dbraw/zinc/22/29/80/546222980.db2.gz ZCPQNVJHGKZNRD-UHFFFAOYSA-N 0 3 373.457 2.077 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(C(=O)N(C)C)ccc2OC)CC1 ZINC000171738404 546223683 /nfs/dbraw/zinc/22/36/83/546223683.db2.gz OTTCZRJVDCQOCV-UHFFFAOYSA-N 0 3 360.458 2.169 20 30 FEEDHN C#CCOc1ccccc1CNCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171841966 546227659 /nfs/dbraw/zinc/22/76/59/546227659.db2.gz OYYYPTGSYVXETD-UHFFFAOYSA-N 0 3 372.437 2.053 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)CC1 ZINC000172908722 546269888 /nfs/dbraw/zinc/26/98/88/546269888.db2.gz CGUHLLDTQIQMFT-SFHVURJKSA-N 0 3 365.424 2.299 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000480306674 561206827 /nfs/dbraw/zinc/20/68/27/561206827.db2.gz KSZMHZBIMMZXMN-UYAOXDASSA-N 0 3 361.482 2.425 20 30 FEEDHN COC(=O)[C@@H](NC1CCN(Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000176720540 546480175 /nfs/dbraw/zinc/48/01/75/546480175.db2.gz QPGHKGAHWLXOFR-FQEVSTJZSA-N 0 3 364.449 2.422 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000177522543 546636323 /nfs/dbraw/zinc/63/63/23/546636323.db2.gz FXHDLMLSXDUURQ-GOSISDBHSA-N 0 3 362.518 2.117 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000177522558 546636608 /nfs/dbraw/zinc/63/66/08/546636608.db2.gz FXHDLMLSXDUURQ-SFHVURJKSA-N 0 3 362.518 2.117 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000177535218 546639292 /nfs/dbraw/zinc/63/92/92/546639292.db2.gz OAEIIIQLRUACOU-GJZGRUSLSA-N 0 3 374.510 2.429 20 30 FEEDHN CC[C@H]1CCCCN1CCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481015594 561222806 /nfs/dbraw/zinc/22/28/06/561222806.db2.gz RPJBYVGFQQOWHV-INIZCTEOSA-N 0 3 353.463 2.381 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000178251740 546765182 /nfs/dbraw/zinc/76/51/82/546765182.db2.gz WETUOEVKPSTCBB-HZPDHXFCSA-N 0 3 356.470 2.305 20 30 FEEDHN N#Cc1ccccc1/C=C/C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000178582410 546814964 /nfs/dbraw/zinc/81/49/64/546814964.db2.gz HYNXLOQEBSTIAL-LCCNJJIFSA-N 0 3 361.445 2.107 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000179033336 546889755 /nfs/dbraw/zinc/88/97/55/546889755.db2.gz GLSWPRDRWITFSF-CRAIPNDOSA-N 0 3 365.424 2.433 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000481829287 561243437 /nfs/dbraw/zinc/24/34/37/561243437.db2.gz JCWAPORYRUBXNH-OALUTQOASA-N 0 3 371.525 2.480 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179760947 547009664 /nfs/dbraw/zinc/00/96/64/547009664.db2.gz JVPZXSKSRUBEPP-FQEVSTJZSA-N 0 3 368.437 2.154 20 30 FEEDHN N#CCCCOc1cccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000179892269 547024687 /nfs/dbraw/zinc/02/46/87/547024687.db2.gz VPJJTPXMLMGONX-IBGZPJMESA-N 0 3 371.481 2.440 20 30 FEEDHN C=CCNC(=O)CN[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000180031069 547041091 /nfs/dbraw/zinc/04/10/91/547041091.db2.gz WLMYKRXJSKNLBF-LLVKDONJSA-N 0 3 354.248 2.058 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000482872262 561261651 /nfs/dbraw/zinc/26/16/51/561261651.db2.gz VKBDCEDYQMJGSE-CRAIPNDOSA-N 0 3 371.485 2.057 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000180901330 547205295 /nfs/dbraw/zinc/20/52/95/547205295.db2.gz NLGMFLGVEQAXMR-OAHLLOKOSA-N 0 3 364.449 2.442 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)N(C)C ZINC000181661222 547355936 /nfs/dbraw/zinc/35/59/36/547355936.db2.gz URFUJJMEVJWBFH-CABCVRRESA-N 0 3 360.458 2.008 20 30 FEEDHN C=CC1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000182776582 547551013 /nfs/dbraw/zinc/55/10/13/547551013.db2.gz BEWPDUXLVPZDNS-QGZVFWFLSA-N 0 3 358.511 2.355 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183173194 547615499 /nfs/dbraw/zinc/61/54/99/547615499.db2.gz DPUJPYGLHZUDDN-AWEZNQCLSA-N 0 3 358.486 2.177 20 30 FEEDHN C[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1-n1cccn1 ZINC000183173526 547615972 /nfs/dbraw/zinc/61/59/72/547615972.db2.gz HOSMJLWIARAGNJ-INIZCTEOSA-N 0 3 350.426 2.179 20 30 FEEDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484650550 561302369 /nfs/dbraw/zinc/30/23/69/561302369.db2.gz MSIZHZYWDLQJOA-BMGDILEWSA-N 0 3 363.433 2.244 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000184162763 547778659 /nfs/dbraw/zinc/77/86/59/547778659.db2.gz BYHNNNVOMVBUER-FQEVSTJZSA-N 0 3 371.456 2.080 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000184800775 547880454 /nfs/dbraw/zinc/88/04/54/547880454.db2.gz CTCFGWHAEUYRES-ROUUACIJSA-N 0 3 356.470 2.184 20 30 FEEDHN C=CC[C@@H](CO)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000185785735 548035810 /nfs/dbraw/zinc/03/58/10/548035810.db2.gz GBFOIELMAAWQBU-RDJZCZTQSA-N 0 3 356.388 2.494 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000185883322 548050470 /nfs/dbraw/zinc/05/04/70/548050470.db2.gz PDCFCPOQHFJNFQ-HKUYNNGSSA-N 0 3 357.502 2.357 20 30 FEEDHN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(N3CCCC3)CC2)c1 ZINC000186309659 548117118 /nfs/dbraw/zinc/11/71/18/548117118.db2.gz HORUFTJFNUTYSN-UHFFFAOYSA-N 0 3 353.875 2.461 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)CC1 ZINC000186814654 548199549 /nfs/dbraw/zinc/19/95/49/548199549.db2.gz UBXSFDVCAQFPFI-LJQANCHMSA-N 0 3 354.429 2.110 20 30 FEEDHN C=CC1CCN(C(=O)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 ZINC000187157003 548252449 /nfs/dbraw/zinc/25/24/49/548252449.db2.gz AYMCVVUIKCGSKT-UHFFFAOYSA-N 0 3 370.497 2.192 20 30 FEEDHN N#CC(C(=O)c1ccc(N2CCCC2)nc1)c1nnc2n1CCCCC2 ZINC000187226767 548253329 /nfs/dbraw/zinc/25/33/29/548253329.db2.gz KLOYDVHZOVREPO-HNNXBMFYSA-N 0 3 350.426 2.490 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)nn(C)c1-n1cccn1)C(C)C ZINC000189488830 548303440 /nfs/dbraw/zinc/30/34/40/548303440.db2.gz BGNJENUUTKGNGY-KRWDZBQOSA-N 0 3 370.501 2.343 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)OC)cc2N(C)C)CC1 ZINC000191193400 548342084 /nfs/dbraw/zinc/34/20/84/548342084.db2.gz RXTBWOORPCDZNG-UHFFFAOYSA-N 0 3 360.458 2.311 20 30 FEEDHN CCS[C@@H]1CC[C@H](N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245556661 548945523 /nfs/dbraw/zinc/94/55/23/548945523.db2.gz JCNMLZZZNZRZQG-RCCFBDPRSA-N 0 3 366.575 2.285 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000488689430 561394563 /nfs/dbraw/zinc/39/45/63/561394563.db2.gz AQNBUZPLZPOVND-MRXNPFEDSA-N 0 3 356.470 2.072 20 30 FEEDHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489128076 561404125 /nfs/dbraw/zinc/40/41/25/561404125.db2.gz XFCQUULXDHRUCH-KBPBESRZSA-N 0 3 353.463 2.344 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCCC[C@H]3C)CC2)o1 ZINC000248892977 549523749 /nfs/dbraw/zinc/52/37/49/549523749.db2.gz FGGVTZAXEBVCQR-RHSMWYFYSA-N 0 3 359.474 2.014 20 30 FEEDHN CCN(CC)[C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)CC(C)C ZINC000489591573 561415001 /nfs/dbraw/zinc/41/50/01/561415001.db2.gz ARJRPZULOIETPS-MRXNPFEDSA-N 0 3 352.504 2.297 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCCN(CCCc3ccccc3)CC2)CC1 ZINC000263830771 549942773 /nfs/dbraw/zinc/94/27/73/549942773.db2.gz UHXFNSVZMDEHBQ-UHFFFAOYSA-N 0 3 367.537 2.499 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)Cc2nccn2CC(F)(F)F)CC1 ZINC000264352697 549994586 /nfs/dbraw/zinc/99/45/86/549994586.db2.gz MLCKZNMXTSWORX-UHFFFAOYSA-N 0 3 359.396 2.237 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CC1 ZINC000264485695 549996741 /nfs/dbraw/zinc/99/67/41/549996741.db2.gz MNLZSCKMDIMZGT-UHFFFAOYSA-N 0 3 357.433 2.485 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)c1nnc2n1CCC2)C(C)C ZINC000264534297 549997969 /nfs/dbraw/zinc/99/79/69/549997969.db2.gz LUCVBYHZNZLRBX-JKSUJKDBSA-N 0 3 360.506 2.283 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(CC(=O)NC)CC1)C(C)C ZINC000266843070 550024649 /nfs/dbraw/zinc/02/46/49/550024649.db2.gz IOCOWUGWSZBQJQ-GOSISDBHSA-N 0 3 364.534 2.243 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2nnc3n2CCCCC3)CC1 ZINC000267321713 550030131 /nfs/dbraw/zinc/03/01/31/550030131.db2.gz KHJQTHIYZLESNB-MRXNPFEDSA-N 0 3 360.506 2.405 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn32)CC1 ZINC000268104318 550037230 /nfs/dbraw/zinc/03/72/30/550037230.db2.gz BSOCHQBKMMJFDK-UHFFFAOYSA-N 0 3 362.437 2.019 20 30 FEEDHN COc1cc(/C=C/C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)ccc1OCC#N ZINC000268221151 550037630 /nfs/dbraw/zinc/03/76/30/550037630.db2.gz LYCZXGGHCOYYJF-TYBAJPJBSA-N 0 3 355.438 2.210 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@](C)(C(=O)OC)C2)c(OC)c1 ZINC000268333108 550050683 /nfs/dbraw/zinc/05/06/83/550050683.db2.gz JFYBZCPWKVGYAG-OXJNMPFZSA-N 0 3 363.454 2.048 20 30 FEEDHN C[C@@H](Cn1cccn1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000269397762 550190931 /nfs/dbraw/zinc/19/09/31/550190931.db2.gz BZZSLOAUPXNGQD-AWEZNQCLSA-N 0 3 364.371 2.048 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)[C@@H](O)c2c(F)cccc2F)CC1 ZINC000269606221 550209981 /nfs/dbraw/zinc/20/99/81/550209981.db2.gz VOUDWXWKLUZHMD-FUHWJXTLSA-N 0 3 350.409 2.238 20 30 FEEDHN C#CC[C@@H](NC(=O)NC[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC000270478429 550276202 /nfs/dbraw/zinc/27/62/02/550276202.db2.gz WFMNZWNDEOLZNT-UYAOXDASSA-N 0 3 356.514 2.324 20 30 FEEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000270492531 550277468 /nfs/dbraw/zinc/27/74/68/550277468.db2.gz UXYDPNKFRLAQEO-AEFFLSMTSA-N 0 3 364.467 2.043 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000493836369 561458509 /nfs/dbraw/zinc/45/85/09/561458509.db2.gz POEDATSVLRZJLW-DZGCQCFKSA-N 0 3 363.424 2.229 20 30 FEEDHN C[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1=CCN(C)CC1 ZINC000272940593 550477794 /nfs/dbraw/zinc/47/77/94/550477794.db2.gz LXCRMSGJMREWOQ-KRWDZBQOSA-N 0 3 367.497 2.036 20 30 FEEDHN C=CC[C@@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000275351366 550571919 /nfs/dbraw/zinc/57/19/19/550571919.db2.gz SEIAKFQZIYYSOF-RTBURBONSA-N 0 3 357.498 2.405 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)C1=CCN(C)CC1 ZINC000276190368 550577374 /nfs/dbraw/zinc/57/73/74/550577374.db2.gz UUBJUBUEFYLRFB-AWEZNQCLSA-N 0 3 372.494 2.397 20 30 FEEDHN C[C@@H](NS(=O)(=O)c1cccnc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000277006729 550621084 /nfs/dbraw/zinc/62/10/84/550621084.db2.gz INFYJVBFTMDBBO-WBVHZDCISA-N 0 3 370.478 2.142 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(OCC#N)c1 ZINC000278509992 550793661 /nfs/dbraw/zinc/79/36/61/550793661.db2.gz MVDYPRHEMAGXCD-HNNXBMFYSA-N 0 3 358.442 2.306 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1CCC(=O)Nc1ccccc1C#N ZINC000278806880 550823973 /nfs/dbraw/zinc/82/39/73/550823973.db2.gz ZQLYFUDNOPBWFL-INIZCTEOSA-N 0 3 356.470 2.072 20 30 FEEDHN COCCOC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279460198 550892797 /nfs/dbraw/zinc/89/27/97/550892797.db2.gz UJIQEEGXGMHWKR-UHFFFAOYSA-N 0 3 369.469 2.486 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)N[C@H](Cc2ccccc2)CN(C)C)n1 ZINC000279498727 550896714 /nfs/dbraw/zinc/89/67/14/550896714.db2.gz NUWBQBHENUSNCB-HXUWFJFHSA-N 0 3 367.497 2.221 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(CC(F)(F)F)CC2)cc1 ZINC000279537512 550900913 /nfs/dbraw/zinc/90/09/13/550900913.db2.gz MZQXLPNEXQANEK-OAHLLOKOSA-N 0 3 364.371 2.383 20 30 FEEDHN N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CCCN3C3CC3)CC2)cc1 ZINC000279658440 550913603 /nfs/dbraw/zinc/91/36/03/550913603.db2.gz CUBROXKWYYWWKG-HXUWFJFHSA-N 0 3 352.482 2.219 20 30 FEEDHN CN(CCCCCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000279658776 550913624 /nfs/dbraw/zinc/91/36/24/550913624.db2.gz COOZHOANUUOKCM-UHFFFAOYSA-N 0 3 356.388 2.268 20 30 FEEDHN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280174765 550968127 /nfs/dbraw/zinc/96/81/27/550968127.db2.gz COCBYFRPSDJTLH-SJORKVTESA-N 0 3 353.422 2.431 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nnc(C3CC3)n2C2CC2)cc1 ZINC000280304349 550978641 /nfs/dbraw/zinc/97/86/41/550978641.db2.gz NAWZOUOVWKPOSU-MRXNPFEDSA-N 0 3 360.421 2.361 20 30 FEEDHN Cc1ccoc1C(=O)NCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280634920 551015776 /nfs/dbraw/zinc/01/57/76/551015776.db2.gz ZBLBOSPDSKFWEN-QGZVFWFLSA-N 0 3 364.405 2.078 20 30 FEEDHN CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280792917 551032993 /nfs/dbraw/zinc/03/29/93/551032993.db2.gz FUIIIECQXGAADD-MOPGFXCFSA-N 0 3 366.465 2.251 20 30 FEEDHN CC(C)N1C(=S)N=NC1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280853636 551039081 /nfs/dbraw/zinc/03/90/81/551039081.db2.gz KLWMXDOMGWDNNT-CQSZACIVSA-N 0 3 354.439 2.018 20 30 FEEDHN COC(=O)[C@@H]1CC12CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000280899934 551044055 /nfs/dbraw/zinc/04/40/55/551044055.db2.gz MUGNQPPNFSGLBH-SJORKVTESA-N 0 3 351.406 2.042 20 30 FEEDHN N#CCN1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000280961544 551049612 /nfs/dbraw/zinc/04/96/12/551049612.db2.gz JSROJTKXUUNMAW-UHFFFAOYSA-N 0 3 356.470 2.176 20 30 FEEDHN CCOC(=O)[C@]1(COC)CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000281219649 551075044 /nfs/dbraw/zinc/07/50/44/551075044.db2.gz BPOMHOPTIYAVMP-HXUWFJFHSA-N 0 3 373.453 2.179 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)C1=O ZINC000281262340 551079109 /nfs/dbraw/zinc/07/91/09/551079109.db2.gz GUOLXFXHANIESM-INIZCTEOSA-N 0 3 355.438 2.353 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000281425290 551096004 /nfs/dbraw/zinc/09/60/04/551096004.db2.gz DIWXZYHIKLGNQH-KFWWJZLASA-N 0 3 351.328 2.155 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCCN(C(C)C)C3)CC2)o1 ZINC000281694500 551131572 /nfs/dbraw/zinc/13/15/72/551131572.db2.gz VMBWLOHWQYSQCR-MRXNPFEDSA-N 0 3 359.474 2.060 20 30 FEEDHN C=CCN1CCC(NC(=O)N(CCNC(C)=O)Cc2ccsc2)CC1 ZINC000282740738 551265536 /nfs/dbraw/zinc/26/55/36/551265536.db2.gz LXOLEYFUIQKNBB-UHFFFAOYSA-N 0 3 364.515 2.046 20 30 FEEDHN CN1CCC(O)(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000283009383 551297221 /nfs/dbraw/zinc/29/72/21/551297221.db2.gz MWCFAKVBESDVCP-UHFFFAOYSA-N 0 3 372.347 2.035 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c(F)c1 ZINC000283069522 551306845 /nfs/dbraw/zinc/30/68/45/551306845.db2.gz XIJOLTXWPURYRQ-QWHCGFSZSA-N 0 3 363.408 2.121 20 30 FEEDHN C[C@@H](O)c1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000283073590 551307599 /nfs/dbraw/zinc/30/75/99/551307599.db2.gz PXQWKKOUFQGFGY-CYBMUJFWSA-N 0 3 358.467 2.272 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000497712173 561506885 /nfs/dbraw/zinc/50/68/85/561506885.db2.gz WXGCBWDZHJRELD-AWEZNQCLSA-N 0 3 354.410 2.300 20 30 FEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000284827198 551644718 /nfs/dbraw/zinc/64/47/18/551644718.db2.gz OQTNBZVSGNXJPH-IHMNZUQTSA-N 0 3 357.454 2.137 20 30 FEEDHN CN(C)C[C@@H]1CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285310810 551735903 /nfs/dbraw/zinc/73/59/03/551735903.db2.gz MVOFSMIJGKCZHV-KRWDZBQOSA-N 0 3 358.461 2.466 20 30 FEEDHN CCN1C[C@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C ZINC000498941394 561538562 /nfs/dbraw/zinc/53/85/62/561538562.db2.gz YZRKWIBSKGXARC-HOTGVXAUSA-N 0 3 366.469 2.097 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)c2cccc(C)c2)CC1 ZINC000285727559 551801797 /nfs/dbraw/zinc/80/17/97/551801797.db2.gz VIHUMHVEHUAESL-UHFFFAOYSA-N 0 3 357.498 2.155 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@H]2C1 ZINC000285734624 551802801 /nfs/dbraw/zinc/80/28/01/551802801.db2.gz GRMBDRRHMPWPJR-JXFKEZNVSA-N 0 3 370.472 2.466 20 30 FEEDHN CC[C@](C)(C#N)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000285861507 551820222 /nfs/dbraw/zinc/82/02/22/551820222.db2.gz DKRGZRRTXAZCPJ-WIYYLYMNSA-N 0 3 369.513 2.382 20 30 FEEDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000286057459 551843943 /nfs/dbraw/zinc/84/39/43/551843943.db2.gz RULNPRXKLBCDJW-MRXNPFEDSA-N 0 3 358.486 2.142 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000286330771 551875168 /nfs/dbraw/zinc/87/51/68/551875168.db2.gz JTONMBLRKFXGLB-INIZCTEOSA-N 0 3 356.445 2.290 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(Cc2ccccc2F)C2CC2)CC1 ZINC000286404922 551884015 /nfs/dbraw/zinc/88/40/15/551884015.db2.gz DYMMDXGXGRYSQD-UHFFFAOYSA-N 0 3 373.472 2.473 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000286487594 551891658 /nfs/dbraw/zinc/89/16/58/551891658.db2.gz JQMQSOCRCKWGES-FQEVSTJZSA-N 0 3 369.509 2.377 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000286825123 551929900 /nfs/dbraw/zinc/92/99/00/551929900.db2.gz WUEDJMWENFBKLU-VQIMIIECSA-N 0 3 373.472 2.345 20 30 FEEDHN COCCN1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287145922 551969116 /nfs/dbraw/zinc/96/91/16/551969116.db2.gz HWRCBCMGNOZZIK-CYBMUJFWSA-N 0 3 367.247 2.163 20 30 FEEDHN C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CCN(C)CC1 ZINC000287994831 552072531 /nfs/dbraw/zinc/07/25/31/552072531.db2.gz VJJPXARAEPIUAV-YOEHRIQHSA-N 0 3 356.445 2.290 20 30 FEEDHN C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289201734 552281842 /nfs/dbraw/zinc/28/18/42/552281842.db2.gz BLUNMMNOESJRSO-OXQOHEQNSA-N 0 3 355.438 2.041 20 30 FEEDHN C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289201734 552281846 /nfs/dbraw/zinc/28/18/46/552281846.db2.gz BLUNMMNOESJRSO-OXQOHEQNSA-N 0 3 355.438 2.041 20 30 FEEDHN C#CCOc1ccccc1CNC[C@H](CO)Cc1ccc(OC)c(O)c1 ZINC000289469057 552326689 /nfs/dbraw/zinc/32/66/89/552326689.db2.gz PGXHDOKZXMRAIH-QGZVFWFLSA-N 0 3 355.434 2.354 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)C2CCCC2)cc1 ZINC000289978635 552408609 /nfs/dbraw/zinc/40/86/09/552408609.db2.gz XTHTUISJRRJVHM-BLLLJJGKSA-N 0 3 365.455 2.045 20 30 FEEDHN COc1cc(C#N)ccc1OCCN[C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000292039674 552687328 /nfs/dbraw/zinc/68/73/28/552687328.db2.gz AJIJBDFGNZPVCH-AUUYWEPGSA-N 0 3 353.422 2.193 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC000293858946 552862940 /nfs/dbraw/zinc/86/29/40/552862940.db2.gz AYYSBJQPMQDKJG-UHFFFAOYSA-N 0 3 373.478 2.416 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(F)ccc1I ZINC000293979501 552872330 /nfs/dbraw/zinc/87/23/30/552872330.db2.gz MUALZOORTGBDLE-UHFFFAOYSA-N 0 3 374.197 2.115 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000294107439 552882258 /nfs/dbraw/zinc/88/22/58/552882258.db2.gz YSGSYOJAIPFLNE-UHFFFAOYSA-N 0 3 358.417 2.188 20 30 FEEDHN C=CCOc1ccc(CC(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1 ZINC000294714804 552928893 /nfs/dbraw/zinc/92/88/93/552928893.db2.gz URFQGXXWLGOTMK-UHFFFAOYSA-N 0 3 371.525 2.280 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)[C@H](c1ccccc1)N(C)C ZINC000294933072 552945426 /nfs/dbraw/zinc/94/54/26/552945426.db2.gz XPVZQCDCPZERHJ-IUODEOHRSA-N 0 3 356.451 2.366 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000295256152 552976779 /nfs/dbraw/zinc/97/67/79/552976779.db2.gz QYWBPMCISYWPET-HNNXBMFYSA-N 0 3 365.474 2.335 20 30 FEEDHN N#Cc1ccc(CNC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)s1 ZINC000502060389 561611221 /nfs/dbraw/zinc/61/12/21/561611221.db2.gz IAOKGMHOWXRJGP-IRXDYDNUSA-N 0 3 366.490 2.308 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295980976 553084485 /nfs/dbraw/zinc/08/44/85/553084485.db2.gz LALLTRFFULPKKW-DYVFJYSZSA-N 0 3 351.447 2.086 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000502513467 561620227 /nfs/dbraw/zinc/62/02/27/561620227.db2.gz YGAKKHANZWECGO-HUUCEWRRSA-N 0 3 358.410 2.472 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](Cn2ccnn2)C1)C(C)C ZINC000502629236 561622564 /nfs/dbraw/zinc/62/25/64/561622564.db2.gz AYXTTWPSRAZZRO-OALUTQOASA-N 0 3 374.533 2.398 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000297030621 553244424 /nfs/dbraw/zinc/24/44/24/553244424.db2.gz AVDKBXNUHDBQDH-IBGZPJMESA-N 0 3 358.442 2.143 20 30 FEEDHN C[C@@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@@H]1N(C)C ZINC000297274899 553272153 /nfs/dbraw/zinc/27/21/53/553272153.db2.gz GLFGKOFFPABKBJ-YPMHNXCESA-N 0 3 362.499 2.264 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000297418529 553290045 /nfs/dbraw/zinc/29/00/45/553290045.db2.gz JKAYCGPFBXIWTC-UHFFFAOYSA-N 0 3 368.437 2.286 20 30 FEEDHN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000297595998 553313237 /nfs/dbraw/zinc/31/32/37/553313237.db2.gz CPDMUGAEKKHDJW-UHFFFAOYSA-N 0 3 357.498 2.392 20 30 FEEDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000298183417 553395230 /nfs/dbraw/zinc/39/52/30/553395230.db2.gz AFWFWQXKSWUETE-MOPGFXCFSA-N 0 3 358.438 2.379 20 30 FEEDHN C[C@@H](c1ccccc1)[C@@H](NCCC(=O)Nc1ccccc1C#N)C(N)=O ZINC000298404882 553421422 /nfs/dbraw/zinc/42/14/22/553421422.db2.gz OUYJVHBDVNLQIU-IFXJQAMLSA-N 0 3 350.422 2.134 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000299457626 553565773 /nfs/dbraw/zinc/56/57/73/553565773.db2.gz XFSRSELVQOPYMJ-UHFFFAOYSA-N 0 3 370.497 2.077 20 30 FEEDHN N#CC1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CCCCC1 ZINC000299617563 553589665 /nfs/dbraw/zinc/58/96/65/553589665.db2.gz YZGYELJIUYLBLV-UHFFFAOYSA-N 0 3 355.486 2.184 20 30 FEEDHN N#Cc1ccc(CN2CCCN(c3ncnc4nc(N)ccc43)CC2)cc1 ZINC000301796122 553680148 /nfs/dbraw/zinc/68/01/48/553680148.db2.gz SXWHWJNTODNXSH-UHFFFAOYSA-N 0 3 359.437 2.191 20 30 FEEDHN Cc1cc(NC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)ncc1C#N ZINC000603113900 553711032 /nfs/dbraw/zinc/71/10/32/553711032.db2.gz XNOUXVNPZCDMAV-INIZCTEOSA-N 0 3 357.458 2.369 20 30 FEEDHN CCN(C[C@@H](O)COc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000302875758 553739274 /nfs/dbraw/zinc/73/92/74/553739274.db2.gz LKJZTZQOSHSQIQ-MJGOQNOKSA-N 0 3 368.433 2.460 20 30 FEEDHN CSC[C@H](C)C(=O)N1CCC(C(=O)NCC2=CCN(C)CC2)CC1 ZINC000328650004 553802506 /nfs/dbraw/zinc/80/25/06/553802506.db2.gz AULUSIPCCMKAQG-AWEZNQCLSA-N 0 3 353.532 2.443 20 30 FEEDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@@](F)(CO)C1 ZINC000328718256 553811855 /nfs/dbraw/zinc/81/18/55/553811855.db2.gz UYPMQAOZMJAQHJ-YOEHRIQHSA-N 0 3 355.479 2.280 20 30 FEEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328737239 553814527 /nfs/dbraw/zinc/81/45/27/553814527.db2.gz LQMQAPZUDJAIAL-CEXWTWQISA-N 0 3 373.497 2.301 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCCC12CCOCC2 ZINC000328819716 553827319 /nfs/dbraw/zinc/82/73/19/553827319.db2.gz ONUIGLUXKVHRPK-WMZOPIPTSA-N 0 3 365.518 2.435 20 30 FEEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328844439 553831156 /nfs/dbraw/zinc/83/11/56/553831156.db2.gz VDSQNIDRACGQLN-DTZQCDIJSA-N 0 3 362.426 2.254 20 30 FEEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328844441 553831305 /nfs/dbraw/zinc/83/13/05/553831305.db2.gz VDSQNIDRACGQLN-MIGQKNRLSA-N 0 3 362.426 2.254 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329076742 553876113 /nfs/dbraw/zinc/87/61/13/553876113.db2.gz PVQBPVGNCPCSOI-NRSFXHEJSA-N 0 3 351.491 2.067 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)[C@@H]2C1 ZINC000329172279 553895064 /nfs/dbraw/zinc/89/50/64/553895064.db2.gz AFSJWWAVOFEITA-GPMSIDNRSA-N 0 3 356.445 2.076 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329173606 553895621 /nfs/dbraw/zinc/89/56/21/553895621.db2.gz LNXISDISUJZRJS-VYDXJSESSA-N 0 3 350.507 2.106 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000329203696 553901534 /nfs/dbraw/zinc/90/15/34/553901534.db2.gz WKKHCFXBLYRGIY-VSZNYVQBSA-N 0 3 351.491 2.043 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000329242127 553909198 /nfs/dbraw/zinc/90/91/98/553909198.db2.gz SEDLXOOMOSTASG-QGZVFWFLSA-N 0 3 365.499 2.406 20 30 FEEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000329253329 553911710 /nfs/dbraw/zinc/91/17/10/553911710.db2.gz ZBWPJXMLANPWCO-IYWMVGAKSA-N 0 3 373.497 2.037 20 30 FEEDHN CN1CC[C@H](NC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000329297905 553920485 /nfs/dbraw/zinc/92/04/85/553920485.db2.gz UBJDRUUUQAYPKR-RDGPPVDQSA-N 0 3 359.470 2.226 20 30 FEEDHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CC[N@@H+](C)C2CCCCC2)s1 ZINC000329302535 553921343 /nfs/dbraw/zinc/92/13/43/553921343.db2.gz WMFIZHMGEOZFNS-UHFFFAOYSA-N 0 3 360.505 2.294 20 30 FEEDHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CC[N@H+](C)C2CCCCC2)s1 ZINC000329302535 553921345 /nfs/dbraw/zinc/92/13/45/553921345.db2.gz WMFIZHMGEOZFNS-UHFFFAOYSA-N 0 3 360.505 2.294 20 30 FEEDHN C[C@H](NC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O)C1=CCN(C)CC1 ZINC000329331184 553926647 /nfs/dbraw/zinc/92/66/47/553926647.db2.gz ZJLXVUKEYDKYDQ-YJBOKZPZSA-N 0 3 356.470 2.288 20 30 FEEDHN C[C@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)C(=O)N1CCCC[C@@H]1C ZINC000329339558 553928538 /nfs/dbraw/zinc/92/85/38/553928538.db2.gz ZCFZFLZWHUTJEV-ULQDDVLXSA-N 0 3 350.507 2.250 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)C1 ZINC000329386122 553936187 /nfs/dbraw/zinc/93/61/87/553936187.db2.gz POCSCLPNORYYJY-FGTMMUONSA-N 0 3 364.534 2.354 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329502546 553958819 /nfs/dbraw/zinc/95/88/19/553958819.db2.gz YWAKBUXICLCSFI-IAGOWNOFSA-N 0 3 350.507 2.109 20 30 FEEDHN C[C@@H]1CN(C(=O)NC2CCN(CC3CCCC3)CC2)C[C@@H](C)S1(=O)=O ZINC000329536586 553963890 /nfs/dbraw/zinc/96/38/90/553963890.db2.gz BDHOKYITIMZARY-HUUCEWRRSA-N 0 3 371.547 2.062 20 30 FEEDHN O=C(CN1CC[C@@H](CCO)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000329596405 553973620 /nfs/dbraw/zinc/97/36/20/553973620.db2.gz IONBOJNPENJAMA-INIZCTEOSA-N 0 3 359.470 2.218 20 30 FEEDHN CN1CCC2(CCCN2C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000329704409 553992525 /nfs/dbraw/zinc/99/25/25/553992525.db2.gz JLSPPMHKQVQNBA-UHFFFAOYSA-N 0 3 363.462 2.026 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000329724498 553996112 /nfs/dbraw/zinc/99/61/12/553996112.db2.gz BPGKUSNWOBIRGH-NVXWUHKLSA-N 0 3 353.507 2.291 20 30 FEEDHN Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)CC2)nn1 ZINC000329816768 554011431 /nfs/dbraw/zinc/01/14/31/554011431.db2.gz WEGFHXDTJVJOAN-RDTXWAMCSA-N 0 3 372.517 2.082 20 30 FEEDHN CC(C)[C@@H](C(=O)NCCN1CCCC(C)(C)C1)N1CCCS1(=O)=O ZINC000329891960 554025566 /nfs/dbraw/zinc/02/55/66/554025566.db2.gz IPNGEINRTCUHNU-HNNXBMFYSA-N 0 3 359.536 2.125 20 30 FEEDHN C[C@H](CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)N1CCC[C@@H](C)C1 ZINC000329912130 554029867 /nfs/dbraw/zinc/02/98/67/554029867.db2.gz BAIWPEBADDZNGW-GPMSIDNRSA-N 0 3 353.507 2.291 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@@H]3CCCN(C)C3)C2)n1 ZINC000329920507 554031754 /nfs/dbraw/zinc/03/17/54/554031754.db2.gz DZQAFUDGHJJUPB-IEBWSBKVSA-N 0 3 369.513 2.278 20 30 FEEDHN C[C@H](NC(=O)N1CCC(c2nnc3n2CCCC3)CC1)C1=CCN(C)CC1 ZINC000330048633 554054637 /nfs/dbraw/zinc/05/46/37/554054637.db2.gz ISMAEMUHZJHYOI-HNNXBMFYSA-N 0 3 372.517 2.358 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC000330136130 554071850 /nfs/dbraw/zinc/07/18/50/554071850.db2.gz NBUJHLMZYMJPSS-ZACQAIPSSA-N 0 3 373.501 2.121 20 30 FEEDHN CN1CC[C@@]2(CCN(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C2)C1 ZINC000330178369 554079012 /nfs/dbraw/zinc/07/90/12/554079012.db2.gz LOBVIJHOQCJHRM-OAQYLSRUSA-N 0 3 370.497 2.233 20 30 FEEDHN Cc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1N1CCNC1=O ZINC000330196844 554083006 /nfs/dbraw/zinc/08/30/06/554083006.db2.gz QYVSROWOQSHVJV-WMLDXEAASA-N 0 3 357.458 2.301 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1F ZINC000330198810 554083670 /nfs/dbraw/zinc/08/36/70/554083670.db2.gz UQDLQULOAAYOBS-OAHLLOKOSA-N 0 3 351.447 2.336 20 30 FEEDHN CCCN1CCC[C@H]1C(=O)NC1CCN(c2nccn(CC)c2=O)CC1 ZINC000330223997 554088030 /nfs/dbraw/zinc/08/80/30/554088030.db2.gz SNHVKOLMUKSIQF-INIZCTEOSA-N 0 3 361.490 2.063 20 30 FEEDHN C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1nccs1 ZINC000330228963 554089203 /nfs/dbraw/zinc/08/92/03/554089203.db2.gz PXJDLAAOLUDYGL-UONOGXRCSA-N 0 3 352.504 2.346 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1=O ZINC000330264846 554095768 /nfs/dbraw/zinc/09/57/68/554095768.db2.gz YKFHTXMPBBTXAK-MSOLQXFVSA-N 0 3 358.486 2.336 20 30 FEEDHN Cc1c([C@H]2OCC[C@@H]2NC(=O)NC[C@@H](C)N2CCC(C)CC2)cnn1C ZINC000330341801 554108338 /nfs/dbraw/zinc/10/83/38/554108338.db2.gz ZSWRGHSNGHRRQG-FHLIZLRMSA-N 0 3 363.506 2.183 20 30 FEEDHN CCN1CC[C@H](N[C@H](C)C(=O)NC(=O)NC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330442176 554122231 /nfs/dbraw/zinc/12/22/31/554122231.db2.gz PMJGLUSEUQTLTQ-WKPIXPDZSA-N 0 3 370.856 2.253 20 30 FEEDHN CC(C)C(=O)NC1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000330482339 554127211 /nfs/dbraw/zinc/12/72/11/554127211.db2.gz RJXHTZMJVBWSRQ-CVEARBPZSA-N 0 3 352.523 2.257 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000330681307 554156881 /nfs/dbraw/zinc/15/68/81/554156881.db2.gz ZTVVYIFRNLQFDJ-LBPRGKRZSA-N 0 3 359.517 2.177 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2cccnc2OCC(F)F)C[C@H]1N(C)C ZINC000330813552 554174773 /nfs/dbraw/zinc/17/47/73/554174773.db2.gz LHEXTKRWMITAFI-NEPJUHHUSA-N 0 3 360.430 2.248 20 30 FEEDHN CN1CCC(O)(CNC(=O)Nc2cc(F)c(OC(F)F)cc2F)CC1 ZINC000331190321 554228048 /nfs/dbraw/zinc/22/80/48/554228048.db2.gz VKNGPEYBSSTAFD-UHFFFAOYSA-N 0 3 365.327 2.349 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC(C)(C)C2)cc1 ZINC000331198222 554229575 /nfs/dbraw/zinc/22/95/75/554229575.db2.gz VJOIIRMBTJDRAB-GFCCVEGCSA-N 0 3 351.428 2.015 20 30 FEEDHN C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000508810971 561773488 /nfs/dbraw/zinc/77/34/88/561773488.db2.gz FXQQOKADNWCBDH-SJORKVTESA-N 0 3 363.506 2.253 20 30 FEEDHN C[C@H]1CN(C2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)CCO1 ZINC000331391203 554256689 /nfs/dbraw/zinc/25/66/89/554256689.db2.gz KBFVOQRDWSNDAO-PKOBYXMFSA-N 0 3 355.482 2.471 20 30 FEEDHN C=CCSCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000509187368 561789059 /nfs/dbraw/zinc/78/90/59/561789059.db2.gz UUBRRLDMLCXODY-ROUUACIJSA-N 0 3 363.527 2.088 20 30 FEEDHN CO[C@@H]1CC[C@@H]2OCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000332185755 554396716 /nfs/dbraw/zinc/39/67/16/554396716.db2.gz WQLUBARVPCGUCT-RDGPPVDQSA-N 0 3 353.422 2.035 20 30 FEEDHN CO[C@@H]1CC[C@@H]2OCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000332185753 554396721 /nfs/dbraw/zinc/39/67/21/554396721.db2.gz WQLUBARVPCGUCT-MANSERQUSA-N 0 3 353.422 2.035 20 30 FEEDHN CS[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@@H]1N1CCCC1 ZINC000333074900 554568414 /nfs/dbraw/zinc/56/84/14/554568414.db2.gz DGANZCVAIZQEER-JKSUJKDBSA-N 0 3 371.572 2.302 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CCN(C(C)C)C3)CC2)o1 ZINC000333759001 554640189 /nfs/dbraw/zinc/64/01/89/554640189.db2.gz OTORTAQKLAINFF-MRXNPFEDSA-N 0 3 359.474 2.012 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@]4(CC[C@H](C)C4)C3)CC2)o1 ZINC000360682890 554885233 /nfs/dbraw/zinc/88/52/33/554885233.db2.gz WSJYFKPWUZVCGP-MGPUTAFESA-N 0 3 371.485 2.015 20 30 FEEDHN Cc1nnc(C2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)[nH]1 ZINC000360929619 554896175 /nfs/dbraw/zinc/89/61/75/554896175.db2.gz RPIPFYQAIKZFIJ-UHFFFAOYSA-N 0 3 352.442 2.239 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(NC(=O)c3ccoc3)CC2)CC1 ZINC000360977577 554898303 /nfs/dbraw/zinc/89/83/03/554898303.db2.gz UCCIFKZSLMCAPE-UHFFFAOYSA-N 0 3 374.485 2.224 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000363515027 555125134 /nfs/dbraw/zinc/12/51/34/555125134.db2.gz AUBMMUYRRYMPQB-PKOBYXMFSA-N 0 3 357.454 2.087 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000363870997 555203182 /nfs/dbraw/zinc/20/31/82/555203182.db2.gz YYOGLUWFZBVQIR-MSOLQXFVSA-N 0 3 352.523 2.196 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000363890818 555207891 /nfs/dbraw/zinc/20/78/91/555207891.db2.gz SCBSKIZLUHXTMB-IBGZPJMESA-N 0 3 366.550 2.444 20 30 FEEDHN C#CCN(C(=O)C(=O)Nc1cccc2c1CCN(CC)C2)C1CCCC1 ZINC000363926593 555215736 /nfs/dbraw/zinc/21/57/36/555215736.db2.gz JTAUMDLJHRRGDT-UHFFFAOYSA-N 0 3 353.466 2.408 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000364088223 555247314 /nfs/dbraw/zinc/24/73/14/555247314.db2.gz WZZOCZJXMBFOIJ-QRQLOZEOSA-N 0 3 369.513 2.381 20 30 FEEDHN CCc1nc(CN2CCC[C@H](N(C)CCOc3ccc(C#N)cc3)C2)no1 ZINC000364108279 555251286 /nfs/dbraw/zinc/25/12/86/555251286.db2.gz PAVQLPZEOZYMKG-KRWDZBQOSA-N 0 3 369.469 2.479 20 30 FEEDHN C[C@@H](NCCN1CCN(C(=O)C2CCC2)CC1)c1ccc(C#N)cc1F ZINC000512295886 561899177 /nfs/dbraw/zinc/89/91/77/561899177.db2.gz NRAZDAWBMQKURR-OAHLLOKOSA-N 0 3 358.461 2.292 20 30 FEEDHN CN(C)CCOC1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000512311501 561899702 /nfs/dbraw/zinc/89/97/02/561899702.db2.gz BGFMSFZSTYFACP-UHFFFAOYSA-N 0 3 359.445 2.298 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000512320261 561900170 /nfs/dbraw/zinc/90/01/70/561900170.db2.gz BJRZAZGUOFSSBM-INIZCTEOSA-N 0 3 372.488 2.119 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364715256 555383449 /nfs/dbraw/zinc/38/34/49/555383449.db2.gz CXBVCBBDQSHVIE-APWZRJJASA-N 0 3 368.481 2.040 20 30 FEEDHN CCCCN(C)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000512611118 561910083 /nfs/dbraw/zinc/91/00/83/561910083.db2.gz HXVGNKYNGKQSCJ-IBGZPJMESA-N 0 3 357.502 2.138 20 30 FEEDHN C=CCNC(=O)CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000513378025 561936130 /nfs/dbraw/zinc/93/61/30/561936130.db2.gz NQHIGJPTXLNBSX-GOSISDBHSA-N 0 3 360.502 2.089 20 30 FEEDHN C=CCOc1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1OC ZINC000365827386 555676734 /nfs/dbraw/zinc/67/67/34/555676734.db2.gz BQYMKBVSEJMQPX-ROUUACIJSA-N 0 3 357.454 2.201 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)C2)n1 ZINC000366039771 555734151 /nfs/dbraw/zinc/73/41/51/555734151.db2.gz HIXBCTRIBOWFIS-DKSSEZFCSA-N 0 3 367.497 2.077 20 30 FEEDHN CC(C)(C)NC(=O)CN1CCCN(CCCOc2cccc(C#N)c2)CC1 ZINC000366298546 555804701 /nfs/dbraw/zinc/80/47/01/555804701.db2.gz QOQCMGPJTUGHFS-UHFFFAOYSA-N 0 3 372.513 2.250 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000513839695 561952136 /nfs/dbraw/zinc/95/21/36/561952136.db2.gz OWJXYYFCVJKMLX-QGZVFWFLSA-N 0 3 353.422 2.420 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366448144 555847070 /nfs/dbraw/zinc/84/70/70/555847070.db2.gz MCANZSXMXFYEJL-CRAIPNDOSA-N 0 3 356.470 2.199 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000366704874 555913474 /nfs/dbraw/zinc/91/34/74/555913474.db2.gz SZFUNABAOMUMMS-APAFKAMOSA-N 0 3 365.518 2.156 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1CCN(CC)C2 ZINC000367194497 556003598 /nfs/dbraw/zinc/00/35/98/556003598.db2.gz JRMRKUQQPUDVPQ-DNVCBOLYSA-N 0 3 371.481 2.101 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC2)c1C ZINC000367460134 556056758 /nfs/dbraw/zinc/05/67/58/556056758.db2.gz YQIUXQVPSWTVLL-UWJYYQICSA-N 0 3 368.481 2.197 20 30 FEEDHN CC1(C)CN(C(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)CCN1 ZINC000368698261 556389734 /nfs/dbraw/zinc/38/97/34/556389734.db2.gz KRELJMPJJSOEHU-UHFFFAOYSA-N 0 3 362.424 2.263 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000368729627 556399247 /nfs/dbraw/zinc/39/92/47/556399247.db2.gz QICYUVOFSCAJEY-KRWDZBQOSA-N 0 3 363.502 2.237 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000515638010 562017785 /nfs/dbraw/zinc/01/77/85/562017785.db2.gz NGVFTFOBOGFFMQ-MJGOQNOKSA-N 0 3 355.413 2.306 20 30 FEEDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)C2)C1 ZINC000515875430 562024335 /nfs/dbraw/zinc/02/43/35/562024335.db2.gz ZSIOYENQKISAJP-INIZCTEOSA-N 0 3 353.875 2.318 20 30 FEEDHN N#Cc1ccc(OCC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000369165017 556522887 /nfs/dbraw/zinc/52/28/87/556522887.db2.gz RQMCNWMDECHBSH-IBGZPJMESA-N 0 3 364.449 2.360 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000369173057 556524959 /nfs/dbraw/zinc/52/49/59/556524959.db2.gz DQQFQNNOIRVPLH-GOSISDBHSA-N 0 3 365.481 2.302 20 30 FEEDHN C=CCc1cc(CN2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc(OC)c1O ZINC000369537870 556624572 /nfs/dbraw/zinc/62/45/72/556624572.db2.gz VVKTZZOFVYHXDI-OXJNMPFZSA-N 0 3 361.438 2.141 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1Cn1nc(C)nc1C ZINC000369593058 556641725 /nfs/dbraw/zinc/64/17/25/556641725.db2.gz TVEPHTRVXRUILC-QGZVFWFLSA-N 0 3 355.442 2.319 20 30 FEEDHN Cc1cc(=NC(=O)N[C@@H]2c3ccccc3CC[C@H]2N(C)C)[nH]n1CCC#N ZINC000369851415 556712426 /nfs/dbraw/zinc/71/24/26/556712426.db2.gz JJNKSILXBCDSRT-IEBWSBKVSA-N 0 3 366.469 2.844 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](O)CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000516563791 562048176 /nfs/dbraw/zinc/04/81/76/562048176.db2.gz UQYOTORUHWWYRE-HBGVWJBISA-N 0 3 363.461 2.413 20 30 FEEDHN COCCc1ccc(OC[C@H](O)CNCc2ccc(C#N)c(F)c2)cc1 ZINC000516563794 562048190 /nfs/dbraw/zinc/04/81/90/562048190.db2.gz UTDPIBDRDQBNIL-GOSISDBHSA-N 0 3 358.413 2.416 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000370295251 556832263 /nfs/dbraw/zinc/83/22/63/556832263.db2.gz VMRQRHUPBDOLJG-IJEWVQPXSA-N 0 3 370.544 2.057 20 30 FEEDHN CN1CCC[C@]2(CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1=O ZINC000370410742 556865536 /nfs/dbraw/zinc/86/55/36/556865536.db2.gz RJHJVRBKYKDWCJ-LJQANCHMSA-N 0 3 351.410 2.053 20 30 FEEDHN C=CCC[C@H](O)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000370503222 556892754 /nfs/dbraw/zinc/89/27/54/556892754.db2.gz PYBGEQVJCACNCW-INIZCTEOSA-N 0 3 358.438 2.239 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000370807579 556974319 /nfs/dbraw/zinc/97/43/19/556974319.db2.gz DBCSRTMMOSNZCT-UHFFFAOYSA-N 0 3 357.502 2.390 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)CN1C1CC1 ZINC000516991976 562069728 /nfs/dbraw/zinc/06/97/28/562069728.db2.gz DDJOIJHEVVBEOZ-MAUKXSAKSA-N 0 3 356.470 2.341 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1C#N ZINC000370910042 557011479 /nfs/dbraw/zinc/01/14/79/557011479.db2.gz YTFFKVPCQDDSSY-DLBZAZTESA-N 0 3 358.442 2.330 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(CC#N)c2)CC1=O ZINC000517014117 562071090 /nfs/dbraw/zinc/07/10/90/562071090.db2.gz IVUINMMPQUUSMJ-SJLPKXTDSA-N 0 3 354.454 2.024 20 30 FEEDHN C#CCOc1ccccc1CNC1CCC(N2CCCS2(=O)=O)CC1 ZINC000371083439 557069249 /nfs/dbraw/zinc/06/92/49/557069249.db2.gz BTJVJGXVYSNCGR-UHFFFAOYSA-N 0 3 362.495 2.135 20 30 FEEDHN CCCN1CCN(C2CCN(Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000371324833 557146497 /nfs/dbraw/zinc/14/64/97/557146497.db2.gz AVUFRRXHORAMAG-UHFFFAOYSA-N 0 3 366.513 2.198 20 30 FEEDHN COc1ccc(O[C@H](C)CNC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000518362690 562109727 /nfs/dbraw/zinc/10/97/27/562109727.db2.gz SVRKYHQPWLNHQD-NVXWUHKLSA-N 0 3 356.422 2.364 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2nccn2CC(F)(F)F)CC1 ZINC000518510992 562113126 /nfs/dbraw/zinc/11/31/26/562113126.db2.gz OETJEIHAURRLRV-UHFFFAOYSA-N 0 3 359.396 2.285 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000372016929 557357610 /nfs/dbraw/zinc/35/76/10/557357610.db2.gz JKIBPMAKFZLCHW-INIZCTEOSA-N 0 3 371.462 2.385 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372341412 557444814 /nfs/dbraw/zinc/44/48/14/557444814.db2.gz BSFIYBCRFRYNMZ-CCKFTAQKSA-N 0 3 354.454 2.124 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(CC(=O)N3CCOCC3)CC2)cc1 ZINC000372413571 557464602 /nfs/dbraw/zinc/46/46/02/557464602.db2.gz NZOCKPDYVVZOEL-KRWDZBQOSA-N 0 3 371.481 2.438 20 30 FEEDHN CN1CC[C@@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1cccnc1 ZINC000372421365 557466342 /nfs/dbraw/zinc/46/63/42/557466342.db2.gz KNKDEBSOPDQXHY-PXNSSMCTSA-N 0 3 350.422 2.141 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000372809116 557566221 /nfs/dbraw/zinc/56/62/21/557566221.db2.gz WPMSNHNNZFXJSO-GOSISDBHSA-N 0 3 350.422 2.337 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(Oc3cnccn3)CC2)cc1 ZINC000373505571 557706979 /nfs/dbraw/zinc/70/69/79/557706979.db2.gz ZTJGNJCFNOJSSQ-QGZVFWFLSA-N 0 3 361.405 2.101 20 30 FEEDHN C[C@@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000520650069 562160975 /nfs/dbraw/zinc/16/09/75/562160975.db2.gz ITVJUURKMSDKQN-CJNGLKHVSA-N 0 3 368.478 2.009 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2c3ccccc3CC[C@H]2N(C)C)C1=O ZINC000373950427 557794749 /nfs/dbraw/zinc/79/47/49/557794749.db2.gz MOZHWFBUOSSNJE-CEXWTWQISA-N 0 3 370.497 2.032 20 30 FEEDHN C=CCN1CC[C@H](N(C)C2CCN(c3ncnc4ccccc43)CC2)C1=O ZINC000374111157 557825107 /nfs/dbraw/zinc/82/51/07/557825107.db2.gz ZXVSJNOZOSOQDB-IBGZPJMESA-N 0 3 365.481 2.317 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1[C@@H]1CCCN1C(C)=O ZINC000374175770 557837775 /nfs/dbraw/zinc/83/77/75/557837775.db2.gz PHZQHISQGMRVHW-ROUUACIJSA-N 0 3 357.454 2.421 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)NC[C@@H]1CN(C2CC2)CCO1 ZINC000374222360 557845793 /nfs/dbraw/zinc/84/57/93/557845793.db2.gz KPFGSLRWCZHTMD-DOTOQJQBSA-N 0 3 363.527 2.104 20 30 FEEDHN C[C@H](C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)N1CCCCCC1 ZINC000374385328 557876330 /nfs/dbraw/zinc/87/63/30/557876330.db2.gz KWPYUHQBKZIUNZ-XFQAVAEZSA-N 0 3 366.465 2.123 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000374580516 557902296 /nfs/dbraw/zinc/90/22/96/557902296.db2.gz QUVQXIODSIEAEF-CYBMUJFWSA-N 0 3 356.455 2.200 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000375691577 558068237 /nfs/dbraw/zinc/06/82/37/558068237.db2.gz XFBYDUYSIFWKJW-OCCSQVGLSA-N 0 3 353.875 2.459 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@]2(CO)Cc2ccccc2)CC1 ZINC000376411276 558169628 /nfs/dbraw/zinc/16/96/28/558169628.db2.gz QLIAUAPMRIRQAY-NRFANRHFSA-N 0 3 357.498 2.416 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCOC(C)(C)C2)cc1 ZINC000376627809 558199615 /nfs/dbraw/zinc/19/96/15/558199615.db2.gz IBHAYCQIONVSPS-ZDUSSCGKSA-N 0 3 365.455 2.405 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]3OCC[C@H]32)cc1 ZINC000376626427 558199655 /nfs/dbraw/zinc/19/96/55/558199655.db2.gz GUOOLIGKXCSZPD-DAXOMENPSA-N 0 3 363.439 2.158 20 30 FEEDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cccc(OCCCC#N)c2)cn1 ZINC000376993208 558249205 /nfs/dbraw/zinc/24/92/05/558249205.db2.gz MDYGVXDSBMPVBC-QUCCMNQESA-N 0 3 367.453 2.212 20 30 FEEDHN C=CCN(C(=O)CCCCNC(N)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000377573133 558368631 /nfs/dbraw/zinc/36/86/31/558368631.db2.gz NANKJZYQJLCIOA-GOSISDBHSA-N 0 3 358.486 2.114 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC3(C2)CCCOC3)cc1 ZINC000377598668 558374127 /nfs/dbraw/zinc/37/41/27/558374127.db2.gz ORKKRQXXFDKNAI-CYBMUJFWSA-N 0 3 363.439 2.017 20 30 FEEDHN CN1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000377758144 558413169 /nfs/dbraw/zinc/41/31/69/558413169.db2.gz BIJKNKFDYRSMCU-RHSMWYFYSA-N 0 3 368.462 2.367 20 30 FEEDHN COc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1OCCCC#N ZINC000377838097 558432493 /nfs/dbraw/zinc/43/24/93/558432493.db2.gz VNXWQAILRGCQND-UAGQMJEPSA-N 0 3 357.454 2.477 20 30 FEEDHN N#Cc1cccnc1-n1cc(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)cn1 ZINC000377853540 558435474 /nfs/dbraw/zinc/43/54/74/558435474.db2.gz AJHASVFWOBXINT-IRXDYDNUSA-N 0 3 373.372 2.382 20 30 FEEDHN COCCCN(C)CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000377881074 558441081 /nfs/dbraw/zinc/44/10/81/558441081.db2.gz USDBDFDFQSXYJI-MOPGFXCFSA-N 0 3 358.486 2.436 20 30 FEEDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)Cc1ccc(C#N)cc1 ZINC000522881042 562205390 /nfs/dbraw/zinc/20/53/90/562205390.db2.gz FVKTWBRJDZMAAK-IBGZPJMESA-N 0 3 371.481 2.367 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](NC(=O)N2CCCC2)[C@@H](C)CC)CC1 ZINC000522884705 562205445 /nfs/dbraw/zinc/20/54/45/562205445.db2.gz OLEPCZOGYYCAJA-WMZOPIPTSA-N 0 3 364.534 2.363 20 30 FEEDHN C=CCN(C(=O)[C@@H](O)c1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000378318448 558528674 /nfs/dbraw/zinc/52/86/74/558528674.db2.gz UVRUCSWRMWCVEJ-UXHICEINSA-N 0 3 351.450 2.404 20 30 FEEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC3)CC2)CC1 ZINC000378444944 558559098 /nfs/dbraw/zinc/55/90/98/558559098.db2.gz ZGPLJBNJYUCRIB-INIZCTEOSA-N 0 3 358.511 2.333 20 30 FEEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409557517 558703001 /nfs/dbraw/zinc/70/30/01/558703001.db2.gz QZCHSNLXHJWUIG-HNNXBMFYSA-N 0 3 372.560 2.228 20 30 FEEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409583479 558704875 /nfs/dbraw/zinc/70/48/75/558704875.db2.gz USKNKHKCVRWVRD-QGZVFWFLSA-N 0 3 366.531 2.167 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000410405022 558755568 /nfs/dbraw/zinc/75/55/68/558755568.db2.gz CFIMCJYFGXRNNX-WBVHZDCISA-N 0 3 352.504 2.056 20 30 FEEDHN C[C@@H](c1ccccc1)[C@@H](NCCC(=O)Nc1cccc(C#N)c1)C(N)=O ZINC000411754624 558957074 /nfs/dbraw/zinc/95/70/74/558957074.db2.gz HNDGWBMKJRHOHR-IFXJQAMLSA-N 0 3 350.422 2.134 20 30 FEEDHN CCN(CC(=O)NC1(C#N)CCC1)CC1CCN(c2ccccn2)CC1 ZINC000525893947 562258895 /nfs/dbraw/zinc/25/88/95/562258895.db2.gz DTFHDSIHPGOJJM-UHFFFAOYSA-N 0 3 355.486 2.182 20 30 FEEDHN CN(CC(C)(C)C#N)C(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415241499 559217469 /nfs/dbraw/zinc/21/74/69/559217469.db2.gz LRPAEJCIZYYZBT-UHFFFAOYSA-N 0 3 356.348 2.111 20 30 FEEDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415494373 559243130 /nfs/dbraw/zinc/24/31/30/559243130.db2.gz IDSBOOZYOQUNFE-GFCCVEGCSA-N 0 3 350.488 2.489 20 30 FEEDHN CNCc1cccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000415918883 559282515 /nfs/dbraw/zinc/28/25/15/559282515.db2.gz MBDYLEJITJZGIR-UHFFFAOYSA-N 0 3 350.426 2.027 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ncccc3CN)C2)c(F)c1 ZINC000415990508 559287527 /nfs/dbraw/zinc/28/75/27/559287527.db2.gz TWFMAKSDRSPFME-OAHLLOKOSA-N 0 3 368.416 2.342 20 30 FEEDHN CN1CCC[C@H](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000416563687 559322153 /nfs/dbraw/zinc/32/21/53/559322153.db2.gz YLFSZNGLYGKRAE-CQSZACIVSA-N 0 3 355.891 2.416 20 30 FEEDHN C=C(C)[C@@H](NC(=O)C(=O)N[C@@H](CN)CCCC)c1ccc(F)c(F)c1 ZINC000419678571 559453449 /nfs/dbraw/zinc/45/34/49/559453449.db2.gz OJHYETHXTADHHA-CZUORRHYSA-N 0 3 353.413 2.332 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419921075 559464595 /nfs/dbraw/zinc/46/45/95/559464595.db2.gz XMXILPNCGQGPGE-LJQANCHMSA-N 0 3 364.449 2.113 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419962917 559466577 /nfs/dbraw/zinc/46/65/77/559466577.db2.gz HJJUNXWBSQRFQW-LJQANCHMSA-N 0 3 370.497 2.319 20 30 FEEDHN C=CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419980918 559467519 /nfs/dbraw/zinc/46/75/19/559467519.db2.gz SNBVBNMRSVHDEO-GOSISDBHSA-N 0 3 361.461 2.364 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)NCc2ccc(C#N)s2)CC1 ZINC000420782483 559504112 /nfs/dbraw/zinc/50/41/12/559504112.db2.gz DCBNGUPVDZVWQJ-UHFFFAOYSA-N 0 3 350.488 2.308 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N[C@H](C)C2=CCN(C)CC2)c(C#N)cn1CC ZINC000421169465 559528302 /nfs/dbraw/zinc/52/83/02/559528302.db2.gz BGYVJBOYBLKCHH-CYBMUJFWSA-N 0 3 373.457 2.328 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000421292471 559536456 /nfs/dbraw/zinc/53/64/56/559536456.db2.gz BEKPNSDMPUBPMP-HUUCEWRRSA-N 0 3 374.510 2.429 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000527309322 562284805 /nfs/dbraw/zinc/28/48/05/562284805.db2.gz NVZZIXWDIKALQK-UHFFFAOYSA-N 0 3 371.485 2.058 20 30 FEEDHN COc1cc(Br)c(NC(=O)[C@H](N)CCCC#N)cc1OC ZINC000424102559 559654882 /nfs/dbraw/zinc/65/48/82/559654882.db2.gz OYGOAXJQLMKBQI-SNVBAGLBSA-N 0 3 356.220 2.426 20 30 FEEDHN CN(C)C(=O)C[C@H]1CN(C(=O)[C@H](N)CCCC#N)c2ccc(Cl)cc21 ZINC000424120088 559655399 /nfs/dbraw/zinc/65/53/99/559655399.db2.gz GPNSWSMHANIVPB-SWLSCSKDSA-N 0 3 362.861 2.270 20 30 FEEDHN COc1cc2[nH]c(CCCNC(=O)[C@@H](N)CCCC#N)cc2c(OC)c1 ZINC000424158718 559656476 /nfs/dbraw/zinc/65/64/76/559656476.db2.gz UIRSXYZQRDCGGY-INIZCTEOSA-N 0 3 358.442 2.255 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000424167170 559656529 /nfs/dbraw/zinc/65/65/29/559656529.db2.gz GWSJXHUAYMMENK-CABCVRRESA-N 0 3 353.369 2.209 20 30 FEEDHN Cn1cc([C@@H]2CN(C(=O)N[C@@H](CCCC#N)c3ccccc3)C[C@H]2N)cn1 ZINC000424474187 559666598 /nfs/dbraw/zinc/66/65/98/559666598.db2.gz IDLXBTPMVKWYQX-OTWHNJEPSA-N 0 3 366.469 2.291 20 30 FEEDHN C=CCC1(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)CCOCC1 ZINC000424713134 559674395 /nfs/dbraw/zinc/67/43/95/559674395.db2.gz BLUPFLBMTOJWOW-GOSISDBHSA-N 0 3 350.503 2.463 20 30 FEEDHN C=CCC1(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)CCOCC1 ZINC000424790787 559676822 /nfs/dbraw/zinc/67/68/22/559676822.db2.gz LCYIHUBIRNCALW-QFIPXVFZSA-N 0 3 372.509 2.455 20 30 FEEDHN C=CCCn1cc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)nn1 ZINC000424809681 559677466 /nfs/dbraw/zinc/67/74/66/559677466.db2.gz IRLSMWCLSUPUSW-UHFFFAOYSA-N 0 3 371.407 2.389 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)nn1 ZINC000425502263 559706224 /nfs/dbraw/zinc/70/62/24/559706224.db2.gz PNVGMOMQTNUCSL-LJQANCHMSA-N 0 3 370.501 2.420 20 30 FEEDHN CC(C)CN1CCO[C@H](CNC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547019 559708982 /nfs/dbraw/zinc/70/89/82/559708982.db2.gz WWNUUXFAOFNTEW-FXAWDEMLSA-N 0 3 372.513 2.024 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)nn1 ZINC000425645191 559712809 /nfs/dbraw/zinc/71/28/09/559712809.db2.gz OICKDNNJVVNUET-OAHLLOKOSA-N 0 3 360.487 2.162 20 30 FEEDHN C[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)N1CCC(C)CC1 ZINC000425874353 559723664 /nfs/dbraw/zinc/72/36/64/559723664.db2.gz CHXGHZBOEJRGBZ-IAGOWNOFSA-N 0 3 370.497 2.314 20 30 FEEDHN N#Cc1c(F)cccc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000427258062 559751520 /nfs/dbraw/zinc/75/15/20/559751520.db2.gz BEQIUALPZSDGOH-HXUWFJFHSA-N 0 3 353.397 2.064 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2ccccn2)cc1 ZINC000429932748 559809018 /nfs/dbraw/zinc/80/90/18/559809018.db2.gz LCXRKOSKZSYUIY-CYBMUJFWSA-N 0 3 358.423 2.132 20 30 FEEDHN CC(=O)N1CCC(NC(=O)CN[C@H](CCCC#N)c2ccccc2)CC1 ZINC000433015365 559869916 /nfs/dbraw/zinc/86/99/16/559869916.db2.gz WVQFZXGDZCVDAZ-LJQANCHMSA-N 0 3 356.470 2.138 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000433307501 559876548 /nfs/dbraw/zinc/87/65/48/559876548.db2.gz UZLMZRIUIGXUJF-KRWDZBQOSA-N 0 3 356.447 2.349 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCOCC(F)(F)C(F)F)CC1 ZINC000433606352 559884887 /nfs/dbraw/zinc/88/48/87/559884887.db2.gz CHJZXXAUSYCXMX-UHFFFAOYSA-N 0 3 355.376 2.243 20 30 FEEDHN CCOC(=O)CC1(NCCS(=O)(=O)c2ccc(C#N)cc2)CCCC1 ZINC000434617066 559903731 /nfs/dbraw/zinc/90/37/31/559903731.db2.gz RTQGPZBEJDVLSW-UHFFFAOYSA-N 0 3 364.467 2.188 20 30 FEEDHN C[C@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1cccc(C#N)c1 ZINC000442096843 560043876 /nfs/dbraw/zinc/04/38/76/560043876.db2.gz IVMIBXCXXLRSIC-LBPRGKRZSA-N 0 3 365.405 2.466 20 30 FEEDHN N#C[C@H]1CC[C@H](NCc2cccc(NC(=O)CCN3CCOCC3)c2)C1 ZINC000442717994 560055171 /nfs/dbraw/zinc/05/51/71/560055171.db2.gz PMPRJTGVCITJKM-WMZOPIPTSA-N 0 3 356.470 2.129 20 30 FEEDHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CCCCC(C)(C)C#N)C1 ZINC000444602514 560116262 /nfs/dbraw/zinc/11/62/62/560116262.db2.gz KBLMZPWSQCTDPI-INIZCTEOSA-N 0 3 351.491 2.440 20 30 FEEDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000445904203 560136609 /nfs/dbraw/zinc/13/66/09/560136609.db2.gz OQMVFGYJTPRWBE-LSDHHAIUSA-N 0 3 362.440 2.245 20 30 FEEDHN CCN(CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1CC1 ZINC000446534936 560147229 /nfs/dbraw/zinc/14/72/29/560147229.db2.gz GBMUZWUBFPFJRY-UHFFFAOYSA-N 0 3 371.485 2.427 20 30 FEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000448329446 560184751 /nfs/dbraw/zinc/18/47/51/560184751.db2.gz WGLLDQPDCPXUDB-OAHLLOKOSA-N 0 3 373.501 2.290 20 30 FEEDHN COc1ccc(CNc2ccc(C(=O)NCCN(C)C)cc2)cc1C#N ZINC000527762241 562302985 /nfs/dbraw/zinc/30/29/85/562302985.db2.gz HNVCQZDITLALNF-UHFFFAOYSA-N 0 3 352.438 2.470 20 30 FEEDHN Cn1c(C#N)ccc1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000448741506 560197546 /nfs/dbraw/zinc/19/75/46/560197546.db2.gz ZTPUKRDXKRUUPX-UHFFFAOYSA-N 0 3 365.481 2.229 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNc2cccc(C#N)c2[N+](=O)[O-])c1 ZINC000450308442 560257791 /nfs/dbraw/zinc/25/77/91/560257791.db2.gz LVWFLDJJGIUJEE-UHFFFAOYSA-N 0 3 367.409 2.370 20 30 FEEDHN C[C@H]1CN(CCCCNc2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000450374414 560260394 /nfs/dbraw/zinc/26/03/94/560260394.db2.gz FJYRQJPGXVWHND-STQMWFEESA-N 0 3 367.291 3.017 20 30 FEEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ncc(C#N)cc1[N+](=O)[O-] ZINC000450449868 560262603 /nfs/dbraw/zinc/26/26/03/560262603.db2.gz DASHDHFXSAMTPG-RDJZCZTQSA-N 0 3 352.398 2.386 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3ccc(C#N)c(C)n3)C2)CC1 ZINC000450781369 560273114 /nfs/dbraw/zinc/27/31/14/560273114.db2.gz ZQRASBCOTLCZCI-SFHVURJKSA-N 0 3 355.486 2.032 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000451236054 560294840 /nfs/dbraw/zinc/29/48/40/560294840.db2.gz MKIDWSUKJZIZAP-SUMWQHHRSA-N 0 3 353.463 2.332 20 30 FEEDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451238808 560295203 /nfs/dbraw/zinc/29/52/03/560295203.db2.gz DXPDJKIYTBXUEY-SWLSCSKDSA-N 0 3 355.891 2.367 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000451266466 560297170 /nfs/dbraw/zinc/29/71/70/560297170.db2.gz PAXDACUMRMDFCE-GOSISDBHSA-N 0 3 365.474 2.381 20 30 FEEDHN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NCC(=O)N(CCC#N)CCC#N ZINC000451503167 560310849 /nfs/dbraw/zinc/31/08/49/560310849.db2.gz DKVACZGMLIAJSW-ZWKOTPCHSA-N 0 3 354.454 2.478 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]([C@@H](CO)C3CC3)C3CC3)C2=O)cc1 ZINC000451614819 560317489 /nfs/dbraw/zinc/31/74/89/560317489.db2.gz PASRUDXRQUZNED-UFYCRDLUSA-N 0 3 353.466 2.440 20 30 FEEDHN C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000452008699 560345123 /nfs/dbraw/zinc/34/51/23/560345123.db2.gz BKBBWUQMEQVQBW-OAHLLOKOSA-N 0 3 358.552 2.298 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000452386408 560362357 /nfs/dbraw/zinc/36/23/57/560362357.db2.gz FQCPPGBEQHGNAV-GOSISDBHSA-N 0 3 359.470 2.070 20 30 FEEDHN N#CCc1cccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000453668321 560395036 /nfs/dbraw/zinc/39/50/36/560395036.db2.gz HUPHGLOXWURDKB-GOSISDBHSA-N 0 3 354.454 2.168 20 30 FEEDHN C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccnn2CCN(C)C)cc1 ZINC000455673471 560491424 /nfs/dbraw/zinc/49/14/24/560491424.db2.gz XCRXYSNDXOTRTM-UHFFFAOYSA-N 0 3 371.445 2.396 20 30 FEEDHN C=C[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455945758 560501415 /nfs/dbraw/zinc/50/14/15/560501415.db2.gz OTOIMKMTOCIPIV-ZDUSSCGKSA-N 0 3 353.850 2.481 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000455949287 560501726 /nfs/dbraw/zinc/50/17/26/560501726.db2.gz CSOZTDJXVLFCOF-QFBILLFUSA-N 0 3 355.486 2.356 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCN3CCCC3(C)C)C2)n1 ZINC000457052147 560545823 /nfs/dbraw/zinc/54/58/23/560545823.db2.gz INOJRDSHFIVLSR-GOSISDBHSA-N 0 3 369.513 2.469 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459005237 560661340 /nfs/dbraw/zinc/66/13/40/560661340.db2.gz HLSBZUKAVCCPOI-HFSMHLIXSA-N 0 3 370.497 2.347 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2N2CCOCC2)CC1 ZINC000459737345 560705434 /nfs/dbraw/zinc/70/54/34/560705434.db2.gz QYWANIJPULZNLW-UHFFFAOYSA-N 0 3 362.449 2.434 20 30 FEEDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000459793356 560708708 /nfs/dbraw/zinc/70/87/08/560708708.db2.gz JVZHQHCOVXBERN-SJORKVTESA-N 0 3 362.474 2.109 20 30 FEEDHN CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)N1CCC(C#N)CC1 ZINC000460081398 560733999 /nfs/dbraw/zinc/73/39/99/560733999.db2.gz XWMAEIAYRFVMND-UHFFFAOYSA-N 0 3 370.497 2.119 20 30 FEEDHN N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000461954025 560789531 /nfs/dbraw/zinc/78/95/31/560789531.db2.gz FKLNRRPYHVSYAA-PKOBYXMFSA-N 0 3 356.470 2.135 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCC(OCCN(C)C)CC1 ZINC000463750469 560822917 /nfs/dbraw/zinc/82/29/17/560822917.db2.gz PVEABXYFWFMTFM-UHFFFAOYSA-N 0 3 362.470 2.443 20 30 FEEDHN N#CC(C(=O)c1ccccc1OCC(N)=O)c1cc(C(F)(F)F)ccn1 ZINC000464466857 560842505 /nfs/dbraw/zinc/84/25/05/560842505.db2.gz JJVUKWKYJIBBPN-LBPRGKRZSA-N 0 3 363.295 2.455 20 30 FEEDHN CN(C)[C@@]1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCSC1 ZINC000469323309 560952517 /nfs/dbraw/zinc/95/25/17/560952517.db2.gz ZSFNGFYDJXWCGQ-GOSISDBHSA-N 0 3 356.451 2.380 20 30 FEEDHN CN(CCOc1ccccc1C#N)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470806369 560990147 /nfs/dbraw/zinc/99/01/47/560990147.db2.gz MWTYNOBEQQKYAH-ROUUACIJSA-N 0 3 369.444 2.271 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nncn2-c2ccccc2)cc1 ZINC000470841315 560991132 /nfs/dbraw/zinc/99/11/32/560991132.db2.gz OPJDMJFSQYSAAK-QGZVFWFLSA-N 0 3 356.389 2.138 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC(=O)NCc2ccccc2)cc1 ZINC000470903295 560993480 /nfs/dbraw/zinc/99/34/80/560993480.db2.gz GKYXAYQZIPWAAA-IBGZPJMESA-N 0 3 360.417 2.063 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nnnn1-c1ccccc1 ZINC000470944505 560994865 /nfs/dbraw/zinc/99/48/65/560994865.db2.gz KGBHDBFTIJSYMS-RHSMWYFYSA-N 0 3 371.404 2.094 20 30 FEEDHN CC(C)OCC[C@@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000471548293 561006910 /nfs/dbraw/zinc/00/69/10/561006910.db2.gz PYSJIVBTXDVEPU-LJQANCHMSA-N 0 3 359.470 2.385 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@]2(CCO[C@H]2C)C1)C(C)C ZINC000471600851 561008310 /nfs/dbraw/zinc/00/83/10/561008310.db2.gz DZCUCYREDTYJQN-NLWGTHIKSA-N 0 3 365.518 2.274 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCc2nnc3ccccn32)cc1 ZINC000471965266 561015293 /nfs/dbraw/zinc/01/52/93/561015293.db2.gz LJQHGNGKQUTDCW-KRWDZBQOSA-N 0 3 358.405 2.032 20 30 FEEDHN C=CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000472244776 561021753 /nfs/dbraw/zinc/02/17/53/561021753.db2.gz XXMAKWHPBGEKJI-AWEZNQCLSA-N 0 3 368.401 2.016 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000472425345 561026133 /nfs/dbraw/zinc/02/61/33/561026133.db2.gz MJWUKJXMBOBBJO-PKOBYXMFSA-N 0 3 372.428 2.442 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000473232527 561045074 /nfs/dbraw/zinc/04/50/74/561045074.db2.gz XYJRPJLRXWLADI-AWEZNQCLSA-N 0 3 374.360 2.341 20 30 FEEDHN CN1CCC(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000473566140 561052713 /nfs/dbraw/zinc/05/27/13/561052713.db2.gz HBHBAPJBJQWTBU-SFHVURJKSA-N 0 3 360.889 2.391 20 30 FEEDHN COC(=O)C1CCN(CCCNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000474905938 561085186 /nfs/dbraw/zinc/08/51/86/561085186.db2.gz MEYAWTYKXKGQRP-IBGZPJMESA-N 0 3 371.481 2.465 20 30 FEEDHN CC(C)[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)N1CCN(C)CC1 ZINC000475940574 561108227 /nfs/dbraw/zinc/10/82/27/561108227.db2.gz TWNOKQALLFWYIL-PMACEKPBSA-N 0 3 356.514 2.462 20 30 FEEDHN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528368851 562325229 /nfs/dbraw/zinc/32/52/29/562325229.db2.gz WODFLQCGJJVQFU-VQIMIIECSA-N 0 3 373.497 2.171 20 30 FEEDHN N#CC1(C[C@H](O)CN2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000528380408 562325970 /nfs/dbraw/zinc/32/59/70/562325970.db2.gz PKRLNDFPJDPSGP-AWEZNQCLSA-N 0 3 353.264 2.337 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CC2(CCOCC2)CC[C@@H]1CO ZINC000528636632 562339372 /nfs/dbraw/zinc/33/93/72/562339372.db2.gz DFLLNENYTCASIX-QGZVFWFLSA-N 0 3 360.454 2.199 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000528994124 562355770 /nfs/dbraw/zinc/35/57/70/562355770.db2.gz CEPWWTZLMQNDGT-XYOMKSJCSA-N 0 3 350.365 2.349 20 30 FEEDHN COc1cccc(N2CC[C@H](NC[C@H](O)COc3ccccc3C#N)C2)c1 ZINC000530231298 562403028 /nfs/dbraw/zinc/40/30/28/562403028.db2.gz OBAJDAQTMHMCJT-HKUYNNGSSA-N 0 3 367.449 2.175 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCN(c2ccccc2F)C1 ZINC000530233350 562403285 /nfs/dbraw/zinc/40/32/85/562403285.db2.gz IBOGZTQSZULVHJ-DLBZAZTESA-N 0 3 355.413 2.306 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc3c2OC(C)(C)C3)CC1 ZINC000530557577 562415772 /nfs/dbraw/zinc/41/57/72/562415772.db2.gz PTXLDJCGFQKOLX-UHFFFAOYSA-N 0 3 371.481 2.495 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)CC1 ZINC000533256639 562503056 /nfs/dbraw/zinc/50/30/56/562503056.db2.gz HKXAVJYHLQOQTB-HXUWFJFHSA-N 0 3 366.509 2.217 20 30 FEEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000533289956 562504131 /nfs/dbraw/zinc/50/41/31/562504131.db2.gz HSWNPGCJBYHECG-MAUKXSAKSA-N 0 3 373.501 2.404 20 30 FEEDHN Cc1sc(NC(=O)CN(CC(C)(C)O)C2CCOCC2)c(C#N)c1C ZINC000533482362 562510348 /nfs/dbraw/zinc/51/03/48/562510348.db2.gz XSUCFZDKEMPZNR-UHFFFAOYSA-N 0 3 365.499 2.427 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cncc3ccccc32)CC1 ZINC000533902796 562520875 /nfs/dbraw/zinc/52/08/75/562520875.db2.gz FKRSVJAKSJQFMD-UHFFFAOYSA-N 0 3 352.438 2.330 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C)C3CCN(C)CC3)cc2C1=O ZINC000540891153 562595896 /nfs/dbraw/zinc/59/58/96/562595896.db2.gz RUUCNURJIUQRFS-AWEZNQCLSA-N 0 3 369.465 2.271 20 30 FEEDHN C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCOC1 ZINC000541648300 562617143 /nfs/dbraw/zinc/61/71/43/562617143.db2.gz KAKKNJDJJZKBNC-HUUCEWRRSA-N 0 3 353.426 2.087 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N3CCC[C@@](C)(C#N)C3)ccc2[nH]c1=O ZINC000602135980 567934242 /nfs/dbraw/zinc/93/42/42/567934242.db2.gz OAEGELLXCCHKEC-IBGZPJMESA-N 0 3 355.442 2.069 20 30 FEEDHN Cc1ccc(NC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000602865290 568008127 /nfs/dbraw/zinc/00/81/27/568008127.db2.gz RSRQLRRJNHZDGB-IRXDYDNUSA-N 0 3 373.501 2.386 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cc(CCN(C)C)nn1 ZINC000603214094 568076577 /nfs/dbraw/zinc/07/65/77/568076577.db2.gz BCGSDCXYBBXUAF-CQSZACIVSA-N 0 3 372.498 2.415 20 30 FEEDHN Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)ncc1C#N ZINC000569017145 568271532 /nfs/dbraw/zinc/27/15/32/568271532.db2.gz KXAGTHTVUWTZIV-KRWDZBQOSA-N 0 3 371.485 2.073 20 30 FEEDHN CC(=O)c1cccc(OC[C@@H](O)CNCCOc2ccc(C#N)cc2)c1 ZINC000569111624 568277887 /nfs/dbraw/zinc/27/78/87/568277887.db2.gz UPUZJMXDEDMHDD-SFHVURJKSA-N 0 3 354.406 2.169 20 30 FEEDHN CC(C)(C#N)CCC[NH+]1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000819891933 606110899 /nfs/dbraw/zinc/11/08/99/606110899.db2.gz MGSQUEIFCRIPCC-UHFFFAOYSA-N 0 3 357.437 2.458 20 30 FEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@@H+](CC)CCC ZINC000819745620 606117305 /nfs/dbraw/zinc/11/73/05/606117305.db2.gz MMWBSECPPMAMAF-UHFFFAOYSA-N 0 3 371.489 2.296 20 30 FEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@H+](CC)CCC ZINC000819745620 606117307 /nfs/dbraw/zinc/11/73/07/606117307.db2.gz MMWBSECPPMAMAF-UHFFFAOYSA-N 0 3 371.489 2.296 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+](CC)CCC ZINC000819745620 606117309 /nfs/dbraw/zinc/11/73/09/606117309.db2.gz MMWBSECPPMAMAF-UHFFFAOYSA-N 0 3 371.489 2.296 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+](CC)CCC ZINC000819745620 606117310 /nfs/dbraw/zinc/11/73/10/606117310.db2.gz MMWBSECPPMAMAF-UHFFFAOYSA-N 0 3 371.489 2.296 20 30 FEEDHN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000826176448 608469270 /nfs/dbraw/zinc/46/92/70/608469270.db2.gz QBCCIMOABVTQRM-CYBMUJFWSA-N 0 3 364.409 2.477 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000824584669 608487462 /nfs/dbraw/zinc/48/74/62/608487462.db2.gz DJYGWYNUIAGZDV-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN Fc1cc(N=NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)ccn1 ZINC000826372953 609281319 /nfs/dbraw/zinc/28/13/19/609281319.db2.gz SYZOMDZNONEDIA-UHFFFAOYSA-N 0 3 366.404 2.465 20 30 FEEDHN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C[C@@H]2CCNC(=O)CC2)CC1 ZINC000562542258 674767418 /nfs/dbraw/zinc/76/74/18/674767418.db2.gz HFGOHNMIQKWDBN-YJBOKZPZSA-N 0 3 360.889 2.439 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNCC2(c3ccccn3)CCC2)c1 ZINC000563009437 674834692 /nfs/dbraw/zinc/83/46/92/674834692.db2.gz ADYXFTWITIOFNQ-UHFFFAOYSA-N 0 3 355.463 2.438 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)/C=C\c1ccccc1Br ZINC000815082961 674914029 /nfs/dbraw/zinc/91/40/29/674914029.db2.gz JPMMDRAGEZYECW-LCYFTJDESA-N 0 3 371.300 2.294 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(F)c1 ZINC000815905055 674983378 /nfs/dbraw/zinc/98/33/78/674983378.db2.gz YLOYTOCPBJYMIJ-ZDUSSCGKSA-N 0 3 370.808 2.498 20 30 FEEDHN N#CCC[C@H](C#N)CNCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000570709727 670756867 /nfs/dbraw/zinc/75/68/67/670756867.db2.gz OWKXUFKNXRTDOB-QGZVFWFLSA-N 0 3 360.483 2.120 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccccc1Br ZINC000112484000 670872271 /nfs/dbraw/zinc/87/22/71/670872271.db2.gz MXKJRRIOZNYILM-WDEREUQCSA-N 0 3 351.200 2.227 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000113651602 670886885 /nfs/dbraw/zinc/88/68/85/670886885.db2.gz AOUCMWJYODVQRC-YPMHNXCESA-N 0 3 370.808 2.498 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000566110042 675181720 /nfs/dbraw/zinc/18/17/20/675181720.db2.gz WVLPKKOEKUJRGU-BRWVUGGUSA-N 0 3 363.527 2.288 20 30 FEEDHN CN1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000575774366 671319920 /nfs/dbraw/zinc/31/99/20/671319920.db2.gz BGTQSSZQXUSWAK-LLVKDONJSA-N 0 3 361.389 2.197 20 30 FEEDHN CC(=O)NCCN(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000580712593 671826789 /nfs/dbraw/zinc/82/67/89/671826789.db2.gz NFJFOWVYGCTADD-GFCCVEGCSA-N 0 3 362.499 2.141 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)Cc1nc(-c2cccs2)oc1C ZINC000125147077 672007744 /nfs/dbraw/zinc/00/77/44/672007744.db2.gz VASWTMVSHUSMGR-GFCCVEGCSA-N 0 3 361.423 2.116 20 30 FEEDHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000583126177 672065715 /nfs/dbraw/zinc/06/57/15/672065715.db2.gz RBNHXQHRONNIJX-LBPRGKRZSA-N 0 3 362.499 2.314 20 30 FEEDHN CCCN(CCN1CCCCCC1)S(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000584254490 672170048 /nfs/dbraw/zinc/17/00/48/672170048.db2.gz RUSOOTDNENCFDE-KRWDZBQOSA-N 0 3 358.552 2.301 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000170672225 672323644 /nfs/dbraw/zinc/32/36/44/672323644.db2.gz LIIHDVLDLSXHJZ-ZDUSSCGKSA-N 0 3 351.472 2.235 20 30 FEEDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000590589080 672593172 /nfs/dbraw/zinc/59/31/72/672593172.db2.gz LKTYMTTTYKZEKO-YGRLFVJLSA-N 0 3 361.389 2.290 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000194148169 672749293 /nfs/dbraw/zinc/74/92/93/672749293.db2.gz GRQQHSMSYJSYNM-CQSZACIVSA-N 0 3 354.495 2.239 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000592145162 672763659 /nfs/dbraw/zinc/76/36/59/672763659.db2.gz PSCGYAROWDPKMH-HIFRSBDPSA-N 0 3 354.376 2.421 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(Cc3cscn3)CC2)CC1 ZINC000592302504 672783256 /nfs/dbraw/zinc/78/32/56/672783256.db2.gz ULOXYJSSTCOUGS-UHFFFAOYSA-N 0 3 363.531 2.011 20 30 FEEDHN CO[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000593031237 672865615 /nfs/dbraw/zinc/86/56/15/672865615.db2.gz YPEWOJUKUDEXKJ-HNNXBMFYSA-N 0 3 357.376 2.416 20 30 FEEDHN CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CN2CCC1CC2 ZINC000593461884 672927024 /nfs/dbraw/zinc/92/70/24/672927024.db2.gz STJDSOZLYWKYJI-MRXNPFEDSA-N 0 3 362.271 2.416 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000685521194 673019326 /nfs/dbraw/zinc/01/93/26/673019326.db2.gz ZGDFSRJQISHYJT-MRXNPFEDSA-N 0 3 363.527 2.499 20 30 FEEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000595110955 673194895 /nfs/dbraw/zinc/19/48/95/673194895.db2.gz CACJEOPMQNSIPF-RYUDHWBXSA-N 0 3 353.444 2.060 20 30 FEEDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000595194492 673207755 /nfs/dbraw/zinc/20/77/55/673207755.db2.gz NUWOZMUEYRDSCH-LBPRGKRZSA-N 0 3 362.499 2.456 20 30 FEEDHN C=CCN1CCC(NC(=O)NCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000595515184 673259996 /nfs/dbraw/zinc/25/99/96/673259996.db2.gz HVGDLUDLAABLSS-UHFFFAOYSA-N 0 3 351.491 2.448 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597336852 673469479 /nfs/dbraw/zinc/46/94/79/673469479.db2.gz MPDOVJURPVTLRR-UHFFFAOYSA-N 0 3 351.397 2.456 20 30 FEEDHN CS[C@@H]1CN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1N(C)C ZINC000540589132 673548472 /nfs/dbraw/zinc/54/84/72/673548472.db2.gz OETCJKZQXPFYKU-RVKOJVRFSA-N 0 3 366.575 2.283 20 30 FEEDHN COC[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599354574 673663228 /nfs/dbraw/zinc/66/32/28/673663228.db2.gz QJSQQUDZIDRIHY-WMLDXEAASA-N 0 3 354.397 2.313 20 30 FEEDHN CC1(C)CCC[C@](CO)(NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000599592828 673695163 /nfs/dbraw/zinc/69/51/63/673695163.db2.gz AHPLKOVLGZHYBG-SFHVURJKSA-N 0 3 350.484 2.253 20 30 FEEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nnn1C ZINC000744030520 673779779 /nfs/dbraw/zinc/77/97/79/673779779.db2.gz HARFFOYHQPCEPM-VIFPVBQESA-N 0 3 352.181 2.392 20 30 FEEDHN N#CC1(C[C@@H](O)CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000600732797 673795076 /nfs/dbraw/zinc/79/50/76/673795076.db2.gz UZWXNVKBUBWXNX-DOMZBBRYSA-N 0 3 351.809 2.229 20 30 FEEDHN CCN1CC[C@H]2OCCN(c3cc(C#N)c(Br)cn3)[C@H]2C1 ZINC000603385811 673928616 /nfs/dbraw/zinc/92/86/16/673928616.db2.gz YJQAUBOCPALRGR-UONOGXRCSA-N 0 3 351.248 2.015 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000818593244 675226801 /nfs/dbraw/zinc/22/68/01/675226801.db2.gz QVRCWDCHZYGTFL-LBPRGKRZSA-N 0 3 358.408 2.237 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000819197259 675268810 /nfs/dbraw/zinc/26/88/10/675268810.db2.gz HOYXTOSAUHGJOD-PMPSAXMXSA-N 0 3 368.549 2.301 20 30 FEEDHN C#CCO[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000822841088 675510624 /nfs/dbraw/zinc/51/06/24/675510624.db2.gz SUALROUYVSFGSP-AWEZNQCLSA-N 0 3 367.287 2.378 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@H]1CCCO1 ZINC000838560224 680701686 /nfs/dbraw/zinc/70/16/86/680701686.db2.gz UVSWBPDYUNOBFJ-RCCFBDPRSA-N 0 3 361.511 2.491 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C(F)F)ccc2F)CC1 ZINC000651589618 677436058 /nfs/dbraw/zinc/43/60/58/677436058.db2.gz LLNPFBDPJUZGKT-UHFFFAOYSA-N 0 3 355.360 2.468 20 30 FEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C ZINC000912113010 685315434 /nfs/dbraw/zinc/31/54/34/685315434.db2.gz KVCLQIYHYMALMM-HNNXBMFYSA-N 0 3 353.488 2.176 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC(NCc2cnns2)CC1 ZINC001026574448 680347587 /nfs/dbraw/zinc/34/75/87/680347587.db2.gz WZTCGKBZUBLNKQ-LCSXWQTCSA-N 0 3 364.515 2.426 20 30 FEEDHN COC(=O)C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000754523060 680360965 /nfs/dbraw/zinc/36/09/65/680360965.db2.gz ZGPNQXSAYVTEPB-YGRLFVJLSA-N 0 3 361.467 2.367 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C#C)c1ccc(Br)cc1 ZINC000836491458 680476856 /nfs/dbraw/zinc/47/68/56/680476856.db2.gz SBROPDUBJPHPHV-INIZCTEOSA-N 0 3 362.271 2.378 20 30 FEEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001004456807 680556430 /nfs/dbraw/zinc/55/64/30/680556430.db2.gz IFYRNWYIYYFIBH-XIRDDKMYSA-N 0 3 356.894 2.246 20 30 FEEDHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2snc(Cl)c2C#N)C1)N(C)C ZINC001043261309 680569996 /nfs/dbraw/zinc/56/99/96/680569996.db2.gz GASRKMYIWYNMMF-JLLWLGSASA-N 0 3 355.895 2.267 20 30 FEEDHN CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1 ZINC001046038000 680643000 /nfs/dbraw/zinc/64/30/00/680643000.db2.gz FLGPRALGOMZTLA-CEXWTWQISA-N 0 3 357.523 2.093 20 30 FEEDHN COC(=O)[C@]1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000759786630 680667191 /nfs/dbraw/zinc/66/71/91/680667191.db2.gz XIYNCNIBNOZEAQ-KPZWWZAWSA-N 0 3 357.435 2.358 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1ccnn1C ZINC000774044347 681166142 /nfs/dbraw/zinc/16/61/42/681166142.db2.gz UNXDRUCKFHDZEF-LBPRGKRZSA-N 0 3 360.801 2.281 20 30 FEEDHN FC1(F)[C@H]2CN(CCc3c[nH]nn3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941914 681331915 /nfs/dbraw/zinc/33/19/15/681331915.db2.gz DUEVILIGMITNQS-YUMQZZPRSA-N 0 3 364.240 2.450 20 30 FEEDHN FC1(F)[C@@H]2CN(CCc3c[nH]nn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941908 681332053 /nfs/dbraw/zinc/33/20/53/681332053.db2.gz DUEVILIGMITNQS-HTQZYQBOSA-N 0 3 364.240 2.450 20 30 FEEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H](C(N)=O)C1 ZINC000778291790 681593288 /nfs/dbraw/zinc/59/32/88/681593288.db2.gz YJUNMADPYJZUGG-YRGRVCCFSA-N 0 3 356.451 2.058 20 30 FEEDHN CN(C)CC#CCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000913517606 685479287 /nfs/dbraw/zinc/47/92/87/685479287.db2.gz ILTBQJRJIBRYIS-UHFFFAOYSA-N 0 3 361.243 2.134 20 30 FEEDHN CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](N(C)C)CC2)c1 ZINC000935649842 681792496 /nfs/dbraw/zinc/79/24/96/681792496.db2.gz UWHQGJUDKMENSB-KRWDZBQOSA-N 0 3 362.495 2.040 20 30 FEEDHN C[C@H](CC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F)[C@H]1CCCO1 ZINC000850977561 681992141 /nfs/dbraw/zinc/99/21/41/681992141.db2.gz YSBCMMRVYHMGTF-JDSLSITLSA-N 0 3 350.365 2.495 20 30 FEEDHN CO[C@@H](C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1)C1CCCC1 ZINC000850976331 681992305 /nfs/dbraw/zinc/99/23/05/681992305.db2.gz AMUSDJGYNAOWNX-SUMWQHHRSA-N 0 3 350.365 2.495 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1)C1CCCC1 ZINC000850976329 681992479 /nfs/dbraw/zinc/99/24/79/681992479.db2.gz AMUSDJGYNAOWNX-DYVFJYSZSA-N 0 3 350.365 2.495 20 30 FEEDHN COCCO[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000781963393 681992741 /nfs/dbraw/zinc/99/27/41/681992741.db2.gz WOMDLIATABHPDE-UONOGXRCSA-N 0 3 359.451 2.210 20 30 FEEDHN C#CCN(C(=O)NCC(=O)Nc1ccc(Cl)cc1)C1CCN(C)CC1 ZINC000914326004 685504062 /nfs/dbraw/zinc/50/40/62/685504062.db2.gz YIWVNRKCKZIXGO-UHFFFAOYSA-N 0 3 362.861 2.018 20 30 FEEDHN C=C(Br)CNC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000914418777 685507409 /nfs/dbraw/zinc/50/74/09/685507409.db2.gz WXNQVWIDCVEPTC-ZDUSSCGKSA-N 0 3 360.296 2.180 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000783536291 682151002 /nfs/dbraw/zinc/15/10/02/682151002.db2.gz KLFCZBSBKDDSIC-CABCVRRESA-N 0 3 360.520 2.355 20 30 FEEDHN COC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](C)O1 ZINC000784368310 682220701 /nfs/dbraw/zinc/22/07/01/682220701.db2.gz XZBIMXZYZJGFAK-IHRRRGAJSA-N 0 3 359.451 2.208 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000854663716 682577077 /nfs/dbraw/zinc/57/70/77/682577077.db2.gz DLLPOHZVTMOFET-UHFFFAOYSA-N 0 3 360.202 2.211 20 30 FEEDHN CC[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H](C)N1 ZINC000856407593 682776629 /nfs/dbraw/zinc/77/66/29/682776629.db2.gz UMTIFLMTBCZCOC-ZNMIVQPWSA-N 0 3 352.479 2.172 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 ZINC000791991540 682779207 /nfs/dbraw/zinc/77/92/07/682779207.db2.gz OERHZTMMIOMUBE-OAHLLOKOSA-N 0 3 351.491 2.093 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000858493475 682973002 /nfs/dbraw/zinc/97/30/02/682973002.db2.gz VZJBUEVVTZZKAO-HNNXBMFYSA-N 0 3 366.868 2.312 20 30 FEEDHN C#CCN(C(=O)NCc1c(F)c(F)cc(F)c1F)C1CCN(C)CC1 ZINC000921366637 683442503 /nfs/dbraw/zinc/44/25/03/683442503.db2.gz QTLCRSSJDPISHN-UHFFFAOYSA-N 0 3 357.351 2.482 20 30 FEEDHN C=CCN1CC[C@H](N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000799358875 683448327 /nfs/dbraw/zinc/44/83/27/683448327.db2.gz OGAFAKJKMJXFBT-HOTGVXAUSA-N 0 3 351.491 2.400 20 30 FEEDHN N#CC[C@@H](O)CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000929949572 683659482 /nfs/dbraw/zinc/65/94/82/683659482.db2.gz CUYANYCVMITRLX-OAHLLOKOSA-N 0 3 366.259 2.374 20 30 FEEDHN N#Cc1ccc(Br)c(CNC[C@@H]2CCCCN2CCO)c1 ZINC000922153498 683670981 /nfs/dbraw/zinc/67/09/81/683670981.db2.gz CTTVTEKGQIQBPY-HNNXBMFYSA-N 0 3 352.276 2.257 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CNC[C@@H](O)c1c(F)cccc1Cl ZINC000863564052 683742795 /nfs/dbraw/zinc/74/27/95/683742795.db2.gz SPMPABODWSRYLC-XJKSGUPXSA-N 0 3 364.804 2.414 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1nnc(-c2ccccc2OC)s1 ZINC000931603064 684311147 /nfs/dbraw/zinc/31/11/47/684311147.db2.gz LKFUXZLSZIAVET-UHFFFAOYSA-N 0 3 359.455 2.290 20 30 FEEDHN C#CCN(C(=O)[C@@H](CC)N(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000923683411 684330008 /nfs/dbraw/zinc/33/00/08/684330008.db2.gz IZNCXXIIGNNEKU-MRXNPFEDSA-N 0 3 351.491 2.188 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](N)c2cccc(Br)c2)CC1 ZINC000870883065 684766181 /nfs/dbraw/zinc/76/61/81/684766181.db2.gz LFGOSXVTTQTVSC-OAHLLOKOSA-N 0 3 352.276 2.216 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)CC(=O)Nc1ccccc1OC ZINC000876556710 686219283 /nfs/dbraw/zinc/21/92/83/686219283.db2.gz QHPJSQDALFHRIH-CYBMUJFWSA-N 0 3 353.850 2.342 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000876607820 686227722 /nfs/dbraw/zinc/22/77/22/686227722.db2.gz QRTKGDDAEYMQSS-GJZGRUSLSA-N 0 3 354.834 2.276 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000876635981 686233868 /nfs/dbraw/zinc/23/38/68/686233868.db2.gz OZOCRMBJNFMJBN-HNNXBMFYSA-N 0 3 351.834 2.039 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000876727681 686254255 /nfs/dbraw/zinc/25/42/55/686254255.db2.gz QSMDEVZGWVFAPP-UONOGXRCSA-N 0 3 350.850 2.037 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000876728455 686255340 /nfs/dbraw/zinc/25/53/40/686255340.db2.gz MHRFCXMVJBMNRM-YPMHNXCESA-N 0 3 371.268 2.382 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000876741289 686258339 /nfs/dbraw/zinc/25/83/39/686258339.db2.gz QCDBGVWNKYJSKY-HZPDHXFCSA-N 0 3 372.296 2.299 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000876753425 686260922 /nfs/dbraw/zinc/26/09/22/686260922.db2.gz KSFMAZKICZTLLM-SJLPKXTDSA-N 0 3 365.905 2.206 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C ZINC000876899423 686290914 /nfs/dbraw/zinc/29/09/14/686290914.db2.gz XJXKBBNDLMULGW-ZFWWWQNUSA-N 0 3 351.834 2.013 20 30 FEEDHN Cn1cc(CNCC[C@@H]2CCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000883298325 687602670 /nfs/dbraw/zinc/60/26/70/687602670.db2.gz OSSMOPZPJBALKG-KRWDZBQOSA-N 0 3 358.467 2.016 20 30 FEEDHN C[C@@H](Cc1nc2ccccc2s1)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884108815 687790874 /nfs/dbraw/zinc/79/08/74/687790874.db2.gz MTIFVUQOPQNEHT-PNBPBRNGSA-N 0 3 354.479 2.483 20 30 FEEDHN C#CCN(C(=O)c1sc(-c2ncccn2)nc1C)C1CCN(C)CC1 ZINC000886583217 688279787 /nfs/dbraw/zinc/27/97/87/688279787.db2.gz GUGLSUIAJZQMDE-UHFFFAOYSA-N 0 3 355.467 2.078 20 30 FEEDHN C#CCSCC(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000892377325 689188267 /nfs/dbraw/zinc/18/82/67/689188267.db2.gz IHDVBFSOOOTMQG-UHFFFAOYSA-N 0 3 361.511 2.008 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)NCc2nc(C#N)cs2)CN1Cc1ccccc1 ZINC000893621237 689376621 /nfs/dbraw/zinc/37/66/21/689376621.db2.gz LCGRGXJYQIRYCM-UKRRQHHQSA-N 0 3 355.467 2.477 20 30 FEEDHN Cn1cc(CNCC2CCC(C#N)CC2)c(I)n1 ZINC000894659072 689574396 /nfs/dbraw/zinc/57/43/96/689574396.db2.gz ZNLNESZBUJPBPV-UHFFFAOYSA-N 0 3 358.227 2.444 20 30 FEEDHN Cc1ccc(CN2CC[C@H](CN(C)S(=O)(=O)CC3(C#N)CC3)C2)s1 ZINC000907344839 691457829 /nfs/dbraw/zinc/45/78/29/691457829.db2.gz GKHCTWGJOCWXBB-OAHLLOKOSA-N 0 3 367.540 2.444 20 30 FEEDHN C=CCNC(=O)c1cccnc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164732048 720436829 /nfs/dbraw/zinc/43/68/29/720436829.db2.gz MWZSBYKIXZFSPI-OALUTQOASA-N 0 3 363.465 2.246 20 30 FEEDHN CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN(C2CCCC2)CC1 ZINC001165032602 721861165 /nfs/dbraw/zinc/86/11/65/721861165.db2.gz SRQLFMOEQMDTGY-MRXNPFEDSA-N 0 3 371.485 2.490 20 30 FEEDHN CN(C)[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)c1cccs1 ZINC000549110894 674017400 /nfs/dbraw/zinc/01/74/00/674017400.db2.gz DRFSHMZWHLPPJO-INIZCTEOSA-N 0 3 363.508 2.286 20 30 FEEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000800310329 674041000 /nfs/dbraw/zinc/04/10/00/674041000.db2.gz WWTJIITUGMNTBW-CZUORRHYSA-N 0 3 370.902 2.160 20 30 FEEDHN COC(=O)c1ccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000026320733 539782724 /nfs/dbraw/zinc/78/27/24/539782724.db2.gz ZRLMPQVNDLMANS-GOSISDBHSA-N 0 3 354.406 2.217 20 30 FEEDHN COC(=O)c1ccnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000042632379 540071240 /nfs/dbraw/zinc/07/12/40/540071240.db2.gz NIEVNSFZOQDZCJ-UHFFFAOYSA-N 0 3 350.422 2.452 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCOCC1CC1 ZINC000045131272 540204762 /nfs/dbraw/zinc/20/47/62/540204762.db2.gz JWARATDISIHQIW-UHFFFAOYSA-N 0 3 358.486 2.448 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1nnc2n1CCCC2)C(C)C ZINC000046905574 540276498 /nfs/dbraw/zinc/27/64/98/540276498.db2.gz GMTFINOFJFFQKG-MRXNPFEDSA-N 0 3 360.506 2.112 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C1CCCCC1)N(C)C ZINC000050165200 540401776 /nfs/dbraw/zinc/40/17/76/540401776.db2.gz PZZNQGZDCPSPJS-QGZVFWFLSA-N 0 3 372.469 2.132 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000057677621 540807831 /nfs/dbraw/zinc/80/78/31/540807831.db2.gz DCHSJRJEJMOOMZ-IJEWVQPXSA-N 0 3 356.470 2.288 20 30 FEEDHN C[C@@H]1CN(C2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)CCO1 ZINC000066562057 541335718 /nfs/dbraw/zinc/33/57/18/541335718.db2.gz RYQQTSVEVMAHKC-MRXNPFEDSA-N 0 3 356.470 2.072 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000067549780 541479250 /nfs/dbraw/zinc/47/92/50/541479250.db2.gz JXVADEPNDBVFQL-INIZCTEOSA-N 0 3 360.458 2.171 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)CC1 ZINC000067994928 541536616 /nfs/dbraw/zinc/53/66/16/541536616.db2.gz LZRXISQZNWHQOD-KRWDZBQOSA-N 0 3 367.453 2.290 20 30 FEEDHN CCC(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000068310046 541575014 /nfs/dbraw/zinc/57/50/14/541575014.db2.gz OWNUXBRDFIHKKE-LJQANCHMSA-N 0 3 370.497 2.097 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000072855690 541881935 /nfs/dbraw/zinc/88/19/35/541881935.db2.gz CCVMSVVOOZKBNW-INIZCTEOSA-N 0 3 372.469 2.276 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(NC(=O)CC)ccc2C)CC1 ZINC000076526151 542288940 /nfs/dbraw/zinc/28/89/40/542288940.db2.gz BYYKTCDSOSSAMK-UHFFFAOYSA-N 0 3 372.469 2.049 20 30 FEEDHN C#CCNC(=O)CN[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801951220 674156483 /nfs/dbraw/zinc/15/64/83/674156483.db2.gz SMGYKSBZRVLPRD-SJLPKXTDSA-N 0 3 351.853 2.342 20 30 FEEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H]3CN3CCC[C@@H]3CO)o2)cc1 ZINC000085856835 542733400 /nfs/dbraw/zinc/73/34/00/542733400.db2.gz OFXHGBDXJJTHNU-ZWKOTPCHSA-N 0 3 367.453 2.029 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)Cc2cccc(OCC#N)c2)c1 ZINC000089757506 542769665 /nfs/dbraw/zinc/76/96/65/542769665.db2.gz YHONSXRMSXOLRY-UHFFFAOYSA-N 0 3 367.449 2.388 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3ncccc3F)CC2)CC1 ZINC000090561528 542786443 /nfs/dbraw/zinc/78/64/43/542786443.db2.gz HIPMMDGQBFGWPP-UHFFFAOYSA-N 0 3 361.465 2.093 20 30 FEEDHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000091229320 542799990 /nfs/dbraw/zinc/79/99/90/542799990.db2.gz UQQQYTFEZPSXPZ-MRXNPFEDSA-N 0 3 374.489 2.045 20 30 FEEDHN N#CCCCOc1cccc(CN2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000093046716 542905215 /nfs/dbraw/zinc/90/52/15/542905215.db2.gz KOYQWMAEJJCHQT-UHFFFAOYSA-N 0 3 370.497 2.109 20 30 FEEDHN CC[C@@H](CO)N1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000093739787 542939669 /nfs/dbraw/zinc/93/96/69/542939669.db2.gz LDDZGKZBBVYHHL-FQEVSTJZSA-N 0 3 367.497 2.352 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1n[nH]c2c1CCCC2 ZINC000097682304 543014664 /nfs/dbraw/zinc/01/46/64/543014664.db2.gz CULKMICIIBHDID-UHFFFAOYSA-N 0 3 351.454 2.364 20 30 FEEDHN C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C1CC1 ZINC000105264454 543167816 /nfs/dbraw/zinc/16/78/16/543167816.db2.gz WSKSPCTXTAJNIB-CQSZACIVSA-N 0 3 359.449 2.012 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000106036928 543185983 /nfs/dbraw/zinc/18/59/83/543185983.db2.gz RWWGGGYPKCZMEK-MRXNPFEDSA-N 0 3 371.481 2.205 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1 ZINC000106037046 543186190 /nfs/dbraw/zinc/18/61/90/543186190.db2.gz ZXSWUSQIXYCFFC-HNNXBMFYSA-N 0 3 369.465 2.136 20 30 FEEDHN COc1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1OCCCC#N ZINC000106379790 543226790 /nfs/dbraw/zinc/22/67/90/543226790.db2.gz BOOYDCQCFAVSOG-GOSISDBHSA-N 0 3 359.470 2.331 20 30 FEEDHN N#CC1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCOCC1 ZINC000109143106 543315572 /nfs/dbraw/zinc/31/55/72/543315572.db2.gz DUBJHNZNBUHPOJ-UHFFFAOYSA-N 0 3 355.482 2.474 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)CC1 ZINC000110845424 543370002 /nfs/dbraw/zinc/37/00/02/543370002.db2.gz LKYDEKBYRMSXDJ-AATRIKPKSA-N 0 3 352.482 2.057 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(I)c[nH]2)CC1 ZINC000115372831 543562742 /nfs/dbraw/zinc/56/27/42/543562742.db2.gz AGPKLBAQSLJKIV-UHFFFAOYSA-N 0 3 373.238 2.390 20 30 FEEDHN CC(C)N(C)CCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000118122186 543646598 /nfs/dbraw/zinc/64/65/98/543646598.db2.gz PTBFOERHMSACMT-AWEZNQCLSA-N 0 3 362.499 2.476 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCO)c2ccc(OC)cc2)CC1 ZINC000120709476 543683856 /nfs/dbraw/zinc/68/38/56/543683856.db2.gz ATDNITPHKIYMLW-LJQANCHMSA-N 0 3 361.486 2.458 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000119128555 543664343 /nfs/dbraw/zinc/66/43/43/543664343.db2.gz NQAPMKMYRZQGKJ-INIZCTEOSA-N 0 3 361.465 2.139 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)C(C)C ZINC000119709968 543671389 /nfs/dbraw/zinc/67/13/89/543671389.db2.gz ACXLFQWTFQMFLN-SFHVURJKSA-N 0 3 372.517 2.007 20 30 FEEDHN CCOC(=O)CC1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000120051500 543674791 /nfs/dbraw/zinc/67/47/91/543674791.db2.gz PAJVEGHITSCBPS-GOSISDBHSA-N 0 3 360.454 2.158 20 30 FEEDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCN1C ZINC000120551372 543681688 /nfs/dbraw/zinc/68/16/88/543681688.db2.gz KKSPADLPURQOSF-WBVHZDCISA-N 0 3 372.469 2.249 20 30 FEEDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000122985745 543735650 /nfs/dbraw/zinc/73/56/50/543735650.db2.gz PBRHPLSUSVVISJ-LSDHHAIUSA-N 0 3 353.875 2.459 20 30 FEEDHN N#Cc1ccc2ncc(CNCCNC(=O)c3ccccc3Cl)n2c1 ZINC000123755391 543781276 /nfs/dbraw/zinc/78/12/76/543781276.db2.gz SCGYEEVQZYYVGV-UHFFFAOYSA-N 0 3 353.813 2.379 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000123338824 543756438 /nfs/dbraw/zinc/75/64/38/543756438.db2.gz VVHVAERAVQJGFY-INIZCTEOSA-N 0 3 351.447 2.240 20 30 FEEDHN C#CCSCCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000123557812 543769352 /nfs/dbraw/zinc/76/93/52/543769352.db2.gz QQTXKWFSHDLSKU-UHFFFAOYSA-N 0 3 359.495 2.094 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131871037 544209847 /nfs/dbraw/zinc/20/98/47/544209847.db2.gz MXVZFQTVVFWEOR-QGZVFWFLSA-N 0 3 357.454 2.404 20 30 FEEDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135293762 544340401 /nfs/dbraw/zinc/34/04/01/544340401.db2.gz JOYXLYDDUMAOLE-IBGZPJMESA-N 0 3 354.498 2.226 20 30 FEEDHN CN(C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCCc2c1cnn2C ZINC000135611923 544356039 /nfs/dbraw/zinc/35/60/39/544356039.db2.gz JZOISMITCISKMQ-LPHOPBHVSA-N 0 3 354.454 2.235 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC000150996873 544494745 /nfs/dbraw/zinc/49/47/45/544494745.db2.gz AIICSGJFZAHOSB-LJQANCHMSA-N 0 3 370.493 2.401 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)nc1C)C(C)C ZINC000154543681 544919912 /nfs/dbraw/zinc/91/99/12/544919912.db2.gz RLMPDMRGKKAGEV-GOSISDBHSA-N 0 3 358.486 2.452 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000180199478 327675730 /nfs/dbraw/zinc/67/57/30/327675730.db2.gz DJXKMMOZNRHRMA-UHFFFAOYSA-N 0 3 356.451 2.148 20 30 FEEDHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCc2cccc(C#N)c2)CC1 ZINC000183409434 327815915 /nfs/dbraw/zinc/81/59/15/327815915.db2.gz ZGLAMTMLVKLSFK-OAHLLOKOSA-N 0 3 357.454 2.228 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)N3CCC(C)CC3)CC2)o1 ZINC000189268182 328138102 /nfs/dbraw/zinc/13/81/02/328138102.db2.gz ZWRSWABSUYZICC-HNNXBMFYSA-N 0 3 373.501 2.308 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn2ccnc2s1 ZINC000190720967 328227680 /nfs/dbraw/zinc/22/76/80/328227680.db2.gz MGNDQTIVVKABIV-UHFFFAOYSA-N 0 3 353.451 2.471 20 30 FEEDHN Cn1cc(CNCCNC(=O)c2cccc(Br)c2)cc1C#N ZINC000191040659 328246913 /nfs/dbraw/zinc/24/69/13/328246913.db2.gz AABBOBYALCEEBG-UHFFFAOYSA-N 0 3 361.243 2.179 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000191246288 328256221 /nfs/dbraw/zinc/25/62/21/328256221.db2.gz VCJCVUDRHAOMHB-ACJLOTCBSA-N 0 3 368.412 2.443 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193466399 328377104 /nfs/dbraw/zinc/37/71/04/328377104.db2.gz HKMUNPHNPNHJKC-CVEARBPZSA-N 0 3 371.485 2.138 20 30 FEEDHN CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@H](O)c3ccc(C#N)cc3)C[C@H]2C1 ZINC000193488207 328378163 /nfs/dbraw/zinc/37/81/63/328378163.db2.gz XBENULRQLRFNLX-KSZLIROESA-N 0 3 357.454 2.390 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)N(C)C ZINC000041323338 324506477 /nfs/dbraw/zinc/50/64/77/324506477.db2.gz URHFAHOMZBUNBW-AWEZNQCLSA-N 0 3 350.850 2.243 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1C(F)(F)F ZINC000083537113 325218981 /nfs/dbraw/zinc/21/89/81/325218981.db2.gz MQISUVIFVNMYIQ-UHFFFAOYSA-N 0 3 361.389 2.341 20 30 FEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000088771020 325300869 /nfs/dbraw/zinc/30/08/69/325300869.db2.gz XOBAKWVBKFUJNG-ZDUSSCGKSA-N 0 3 350.850 2.243 20 30 FEEDHN Cc1cccc(NC(=O)[C@H](C)N(C)CCCc2[nH]nc(N)c2C#N)c1C ZINC000089942464 325343669 /nfs/dbraw/zinc/34/36/69/325343669.db2.gz ZEXXUJNCUIHHQH-AWEZNQCLSA-N 0 3 354.458 2.372 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2C(=O)NC2CC2)cc1Cl ZINC000121370790 326333417 /nfs/dbraw/zinc/33/34/17/326333417.db2.gz UFJZLSQMJUQPSZ-INIZCTEOSA-N 0 3 360.845 2.283 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000122191224 326387507 /nfs/dbraw/zinc/38/75/07/326387507.db2.gz FEDNDLZBBCUYCE-QGZVFWFLSA-N 0 3 374.554 2.181 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000172835052 327221514 /nfs/dbraw/zinc/22/15/14/327221514.db2.gz VPIPERDKHCTCLV-INIZCTEOSA-N 0 3 358.486 2.129 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000172835052 327221515 /nfs/dbraw/zinc/22/15/15/327221515.db2.gz VPIPERDKHCTCLV-INIZCTEOSA-N 0 3 358.486 2.129 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000174789080 327351094 /nfs/dbraw/zinc/35/10/94/327351094.db2.gz XBMMVZVTFVNCRE-LZWOXQAQSA-N 0 3 356.470 2.288 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1Cl ZINC000264598251 329039316 /nfs/dbraw/zinc/03/93/16/329039316.db2.gz XHDQDEADLNYQLM-HNNXBMFYSA-N 0 3 360.845 2.237 20 30 FEEDHN COCCCN(C)CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000266582226 329238518 /nfs/dbraw/zinc/23/85/18/329238518.db2.gz XGJWHVQTDFZUKU-UHFFFAOYSA-N 0 3 374.485 2.079 20 30 FEEDHN C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271800962 329726434 /nfs/dbraw/zinc/72/64/34/329726434.db2.gz JYWCXMFZOAMQSY-KUHUBIRLSA-N 0 3 373.478 2.193 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)NCC(C)(C)OC)[C@@H]1c1cnn(C)c1 ZINC000328642263 521615254 /nfs/dbraw/zinc/61/52/54/521615254.db2.gz YJORTLUSKSFYJE-DOTOQJQBSA-N 0 3 365.522 2.464 20 30 FEEDHN C[C@@H](OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1nccn1C ZINC000805852745 674357639 /nfs/dbraw/zinc/35/76/39/674357639.db2.gz AZWDSRFENXAJNF-RISCZKNCSA-N 0 3 360.801 2.499 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1C#N ZINC000157689378 545770809 /nfs/dbraw/zinc/77/08/09/545770809.db2.gz DLYRMNAMCJHKOU-INIZCTEOSA-N 0 3 373.501 2.350 20 30 FEEDHN C[C@H]1CCCN1C1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000158560310 545871727 /nfs/dbraw/zinc/87/17/27/545871727.db2.gz VIJKUOHRTJFMRV-LBPRGKRZSA-N 0 3 369.437 2.474 20 30 FEEDHN Cc1cc(C)cc(NC(=[NH2+])NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000160480157 546045901 /nfs/dbraw/zinc/04/59/01/546045901.db2.gz SSESKCGOFWMDDK-UHFFFAOYSA-N 0 3 352.485 2.070 20 30 FEEDHN N#CCc1ccc(OC[C@@H](O)CN2CCN(C3CCCCC3)CC2)cc1 ZINC000163914629 546147756 /nfs/dbraw/zinc/14/77/56/546147756.db2.gz CJXYUTYGABSNCM-FQEVSTJZSA-N 0 3 357.498 2.443 20 30 FEEDHN CN(c1ccc(OCCN2CCCC2)cc1)S(=O)(=O)CC1(C#N)CC1 ZINC000166097161 546154778 /nfs/dbraw/zinc/15/47/78/546154778.db2.gz XCSANOKZCVPCOQ-UHFFFAOYSA-N 0 3 363.483 2.231 20 30 FEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000171719519 546220163 /nfs/dbraw/zinc/22/01/63/546220163.db2.gz UQYJWZWJLDNGIH-BJMVGYQFSA-N 0 3 353.466 2.359 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)CC1 ZINC000171715075 546220987 /nfs/dbraw/zinc/22/09/87/546220987.db2.gz XYOFEPGLERQHLH-INIZCTEOSA-N 0 3 371.510 2.427 20 30 FEEDHN C=CCN1CCC(NC(=O)CCCNC(=O)c2ccccc2OCC)CC1 ZINC000171722912 546221663 /nfs/dbraw/zinc/22/16/63/546221663.db2.gz PZTDKASTDSJOQA-UHFFFAOYSA-N 0 3 373.497 2.362 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000171724758 546221758 /nfs/dbraw/zinc/22/17/58/546221758.db2.gz LRSOGNCLGYGAIX-SFHVURJKSA-N 0 3 369.465 2.074 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(C(=O)NC)ccc2Cl)CC1 ZINC000171738198 546223052 /nfs/dbraw/zinc/22/30/52/546223052.db2.gz OEIHDQJIFYPJKO-UHFFFAOYSA-N 0 3 350.850 2.472 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000171740625 546223165 /nfs/dbraw/zinc/22/31/65/546223165.db2.gz OAEVKWQAMMVWLU-KRWDZBQOSA-N 0 3 356.470 2.021 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC000171740295 546223689 /nfs/dbraw/zinc/22/36/89/546223689.db2.gz QQUGWLHRTWFESY-UHFFFAOYSA-N 0 3 370.497 2.195 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)c(OC(F)F)c2)CC1 ZINC000173271412 546276958 /nfs/dbraw/zinc/27/69/58/546276958.db2.gz KVMOSAVXMQYIQT-UHFFFAOYSA-N 0 3 367.396 2.302 20 30 FEEDHN C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)CN1CCN(C)CC1 ZINC000174903911 546305289 /nfs/dbraw/zinc/30/52/89/546305289.db2.gz YOSPALRKTMDQQD-INIZCTEOSA-N 0 3 357.502 2.493 20 30 FEEDHN N#Cc1ccc2ncc(CNC[C@@H](CO)Cc3ccc(F)c(F)c3)n2c1 ZINC000480475600 561210028 /nfs/dbraw/zinc/21/00/28/561210028.db2.gz XNCJYVIAULKOOX-HNNXBMFYSA-N 0 3 356.376 2.425 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)C(C)C ZINC000480521725 561211216 /nfs/dbraw/zinc/21/12/16/561211216.db2.gz UQDIILNHRDYMRN-QRVBRYPASA-N 0 3 365.518 2.274 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cncc(I)c2)CC1 ZINC000179312789 546929670 /nfs/dbraw/zinc/92/96/70/546929670.db2.gz PVWLPWVUJPECLP-UHFFFAOYSA-N 0 3 371.222 2.066 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H]1C ZINC000179660819 546994197 /nfs/dbraw/zinc/99/41/97/546994197.db2.gz HLLOZHPIVFFRJQ-IKGGRYGDSA-N 0 3 360.527 2.435 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](c2ccccc2)C2CC2)CC1 ZINC000179692699 546999541 /nfs/dbraw/zinc/99/95/41/546999541.db2.gz NBIHQRJAXBXWSF-TZIWHRDSSA-N 0 3 354.498 2.420 20 30 FEEDHN CC[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)OCCO2 ZINC000180646617 547149431 /nfs/dbraw/zinc/14/94/31/547149431.db2.gz AAFXCDNCQAKNEU-INIZCTEOSA-N 0 3 356.426 2.154 20 30 FEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cnn(Cc2ccccc2)c1 ZINC000180867252 547196849 /nfs/dbraw/zinc/19/68/49/547196849.db2.gz LFJIAQOLUAGBLN-MVZUJROASA-N 0 3 365.437 2.108 20 30 FEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000180931269 547212838 /nfs/dbraw/zinc/21/28/38/547212838.db2.gz ULQVMYLJDMRZSA-OAHLLOKOSA-N 0 3 374.485 2.354 20 30 FEEDHN C=CCn1c(SCCCN2CCN(C)CC2)nc2ccccc2c1=O ZINC000181304189 547289611 /nfs/dbraw/zinc/28/96/11/547289611.db2.gz GNZKFLGWQDPCPN-UHFFFAOYSA-N 0 3 358.511 2.312 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000181781923 547380507 /nfs/dbraw/zinc/38/05/07/547380507.db2.gz WFNQASFIWVWIKU-HNNXBMFYSA-N 0 3 370.453 2.073 20 30 FEEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182043198 547427428 /nfs/dbraw/zinc/42/74/28/547427428.db2.gz GCYGEUOGVWZWFZ-KXBFYZLASA-N 0 3 363.421 2.229 20 30 FEEDHN C[C@@H](C#N)CNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000182591259 547518571 /nfs/dbraw/zinc/51/85/71/547518571.db2.gz BDTSEEIDSTXILM-SFHVURJKSA-N 0 3 357.502 2.043 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000185262276 547961388 /nfs/dbraw/zinc/96/13/88/547961388.db2.gz SUTRKNSCDYIEBA-GFCCVEGCSA-N 0 3 367.858 2.131 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)CC1 ZINC000186597810 548156996 /nfs/dbraw/zinc/15/69/96/548156996.db2.gz QNEHJXIKUBPWTN-UHFFFAOYSA-N 0 3 367.449 2.009 20 30 FEEDHN C#CCOc1ccccc1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000188042529 548269631 /nfs/dbraw/zinc/26/96/31/548269631.db2.gz LNMZVGOIVJKTBY-UHFFFAOYSA-N 0 3 368.437 2.356 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188569539 548283048 /nfs/dbraw/zinc/28/30/48/548283048.db2.gz SCZSEMGMZYCPDL-XJKSGUPXSA-N 0 3 363.424 2.420 20 30 FEEDHN C=CCN(CCOC)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000191076599 548340708 /nfs/dbraw/zinc/34/07/08/548340708.db2.gz WARJHSVSWPLYPC-UHFFFAOYSA-N 0 3 359.514 2.164 20 30 FEEDHN C=CCSCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192364134 548362636 /nfs/dbraw/zinc/36/26/36/548362636.db2.gz JSELQJKTRQTOLC-GOSISDBHSA-N 0 3 363.527 2.496 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2cnccn2)CC1)C(C)C ZINC000193859855 548398692 /nfs/dbraw/zinc/39/86/92/548398692.db2.gz NGYQABRURWMBOD-SFHVURJKSA-N 0 3 372.517 2.007 20 30 FEEDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(C#N)c(C)n1 ZINC000195185272 548592333 /nfs/dbraw/zinc/59/23/33/548592333.db2.gz VSGUZOMXDHSYDX-QGZVFWFLSA-N 0 3 372.469 2.141 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000246292715 549098475 /nfs/dbraw/zinc/09/84/75/549098475.db2.gz VIOKMERERRAKSV-HZPDHXFCSA-N 0 3 356.470 2.070 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489589206 561414917 /nfs/dbraw/zinc/41/49/17/561414917.db2.gz UJDACQCFHXWURA-HZSPNIEDSA-N 0 3 353.463 2.342 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000249953593 549636179 /nfs/dbraw/zinc/63/61/79/549636179.db2.gz VLLCJDHLBZZNDL-FPOVZHCZSA-N 0 3 360.498 2.488 20 30 FEEDHN COCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCOC1 ZINC000490064826 561425529 /nfs/dbraw/zinc/42/55/29/561425529.db2.gz VBGUJUNBBMDDJW-ZDUSSCGKSA-N 0 3 363.483 2.174 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OCC(=O)OC)c2)CC1 ZINC000264408157 549995356 /nfs/dbraw/zinc/99/53/56/549995356.db2.gz QNCZIZSACWROFE-UHFFFAOYSA-N 0 3 361.442 2.400 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)c1nnc2n1CCC2)C(C)C ZINC000264534296 549998050 /nfs/dbraw/zinc/99/80/50/549998050.db2.gz LUCVBYHZNZLRBX-HZPDHXFCSA-N 0 3 360.506 2.283 20 30 FEEDHN CCCCOc1cc(CNCCNC(=O)C2N=CC=CC2=O)ccc1OC ZINC000264930113 550003312 /nfs/dbraw/zinc/00/33/12/550003312.db2.gz AGPUTJKECYQONF-VXPUYCOJSA-N 0 3 373.453 2.490 20 30 FEEDHN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)N(C)C ZINC000265376738 550009412 /nfs/dbraw/zinc/00/94/12/550009412.db2.gz IHEZEHAYWYINJW-QGZVFWFLSA-N 0 3 360.458 2.010 20 30 FEEDHN CN1CCC(O)(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000265955927 550015557 /nfs/dbraw/zinc/01/55/57/550015557.db2.gz RMDUJEFVXDSAJM-UHFFFAOYSA-N 0 3 364.449 2.060 20 30 FEEDHN COc1cc(/C=C/C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)ccc1OCC#N ZINC000268221149 550037840 /nfs/dbraw/zinc/03/78/40/550037840.db2.gz LYCZXGGHCOYYJF-LUBSWZIOSA-N 0 3 355.438 2.210 20 30 FEEDHN N#Cc1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)[nH]1 ZINC000269761503 550223378 /nfs/dbraw/zinc/22/33/78/550223378.db2.gz HGEPNZBAHGBAOV-UHFFFAOYSA-N 0 3 356.401 2.299 20 30 FEEDHN C=CCN1CC[C@@H](NCC2(c3cc(C)ccc3OC)CCOCC2)C1=O ZINC000493766742 561458092 /nfs/dbraw/zinc/45/80/92/561458092.db2.gz QOIHYMUAUYWBQF-GOSISDBHSA-N 0 3 358.482 2.428 20 30 FEEDHN N#CCc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000270862206 550314607 /nfs/dbraw/zinc/31/46/07/550314607.db2.gz NEAOGIQLCXOUPE-LEWJYISDSA-N 0 3 363.461 2.365 20 30 FEEDHN CC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)OCCO2 ZINC000271499438 550380002 /nfs/dbraw/zinc/38/00/02/550380002.db2.gz QLJNEYFZILUKSR-ORIGZDJFSA-N 0 3 357.410 2.025 20 30 FEEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271846176 550405694 /nfs/dbraw/zinc/40/56/94/550405694.db2.gz QQLJIQRPDVGYHM-KSSFIOAISA-N 0 3 365.433 2.168 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000272329593 550438364 /nfs/dbraw/zinc/43/83/64/550438364.db2.gz KBKAUVKYJAWWGC-HOTGVXAUSA-N 0 3 362.499 2.112 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000494464341 561470328 /nfs/dbraw/zinc/47/03/28/561470328.db2.gz QKKJBYQKNIRKLH-AZUAARDMSA-N 0 3 357.454 2.489 20 30 FEEDHN C=CCS(=O)(=O)CCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000272910853 550476447 /nfs/dbraw/zinc/47/64/47/550476447.db2.gz WRAZDMLYBPOKIZ-UHFFFAOYSA-N 0 3 350.484 2.003 20 30 FEEDHN CN(CCCN1CCN(C)CC1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000273040582 550481787 /nfs/dbraw/zinc/48/17/87/550481787.db2.gz WPTRYLLWPXBKDV-UHFFFAOYSA-N 0 3 366.513 2.028 20 30 FEEDHN N#CCCCNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000273122056 550486013 /nfs/dbraw/zinc/48/60/13/550486013.db2.gz HNEGSPUJUIJJPQ-UHFFFAOYSA-N 0 3 357.502 2.187 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cn(C)nc2-c2cnn(CC)c2)CC1 ZINC000275221831 550571073 /nfs/dbraw/zinc/57/10/73/550571073.db2.gz DKIREESKUPBBEV-UHFFFAOYSA-N 0 3 356.474 2.074 20 30 FEEDHN C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000275622204 550573242 /nfs/dbraw/zinc/57/32/42/550573242.db2.gz AUJXQSPVHMCVIQ-MRXNPFEDSA-N 0 3 372.469 2.108 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000275780042 550574282 /nfs/dbraw/zinc/57/42/82/550574282.db2.gz FHROZUBSPJAGTE-HNNXBMFYSA-N 0 3 359.470 2.379 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cccnc1C#N ZINC000277189903 550641485 /nfs/dbraw/zinc/64/14/85/550641485.db2.gz OMFYDPVRJGKJOE-RDJZCZTQSA-N 0 3 370.478 2.142 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000278302157 550770887 /nfs/dbraw/zinc/77/08/87/550770887.db2.gz SMYMZGGDGDYDJL-BHIYHBOVSA-N 0 3 371.481 2.304 20 30 FEEDHN CC(C)(C)C(=O)NCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278607105 550803490 /nfs/dbraw/zinc/80/34/90/550803490.db2.gz ILGXPSGVEUHENI-UHFFFAOYSA-N 0 3 354.458 2.111 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000278621735 550805149 /nfs/dbraw/zinc/80/51/49/550805149.db2.gz JZCMYMHLSJZPHZ-HNNXBMFYSA-N 0 3 367.453 2.293 20 30 FEEDHN C#CCOc1cccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000278889754 550832668 /nfs/dbraw/zinc/83/26/68/550832668.db2.gz QEQKEJDDISHISD-INIZCTEOSA-N 0 3 357.454 2.416 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnn1CC(F)F ZINC000279276469 550872438 /nfs/dbraw/zinc/87/24/38/550872438.db2.gz SFZUGHFVHCIGIA-UHFFFAOYSA-N 0 3 361.396 2.224 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000279398694 550885876 /nfs/dbraw/zinc/88/58/76/550885876.db2.gz UWNKCWMBAPIGSK-LJQANCHMSA-N 0 3 372.428 2.449 20 30 FEEDHN CCOC(=O)C1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279451547 550891807 /nfs/dbraw/zinc/89/18/07/550891807.db2.gz GBKTYSOZJQMJRJ-ADKAHSJRSA-N 0 3 353.422 2.479 20 30 FEEDHN CCCNC(=O)[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279608484 550908177 /nfs/dbraw/zinc/90/81/77/550908177.db2.gz SXSASEUJERXMNP-MSOLQXFVSA-N 0 3 352.438 2.005 20 30 FEEDHN C[C@@H](CN1CCOCC1)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000279721888 550921506 /nfs/dbraw/zinc/92/15/06/550921506.db2.gz LXJANZATKOPEOV-INIZCTEOSA-N 0 3 353.470 2.111 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3ncccc3F)CC2)cc1 ZINC000279918103 550942801 /nfs/dbraw/zinc/94/28/01/550942801.db2.gz FGHKTSYLECFMEM-QGZVFWFLSA-N 0 3 363.396 2.123 20 30 FEEDHN COc1ccc2c(c1)OC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000279923874 550943511 /nfs/dbraw/zinc/94/35/11/550943511.db2.gz FNBBMJSFRLJOFB-MSOLQXFVSA-N 0 3 361.401 2.369 20 30 FEEDHN Cc1ccc(N2CC[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000280432671 550993167 /nfs/dbraw/zinc/99/31/67/550993167.db2.gz MNTKWKUSFYZMNJ-ICSRJNTNSA-N 0 3 372.428 2.471 20 30 FEEDHN CN(C)C1(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)Cc2ccccc2C1 ZINC000280569526 551008652 /nfs/dbraw/zinc/00/86/52/551008652.db2.gz VMQOVGYWFYAIAE-OAQYLSRUSA-N 0 3 372.472 2.456 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@](C)(C(N)=O)C2)c1 ZINC000280714088 551024350 /nfs/dbraw/zinc/02/43/50/551024350.db2.gz JNDPKVJDJJWMTB-OXJNMPFZSA-N 0 3 356.470 2.136 20 30 FEEDHN CC(C)N1C(=S)N=NC1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280877477 551041592 /nfs/dbraw/zinc/04/15/92/551041592.db2.gz LTEONOHIYXRGGD-HNNXBMFYSA-N 0 3 368.466 2.061 20 30 FEEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000281104055 551063514 /nfs/dbraw/zinc/06/35/14/551063514.db2.gz DGKUDKAQSNSECH-MAUKXSAKSA-N 0 3 353.422 2.037 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000281123608 551066167 /nfs/dbraw/zinc/06/61/67/551066167.db2.gz GBUPFULKHCUIPJ-IEBWSBKVSA-N 0 3 351.381 2.099 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000281893497 551154228 /nfs/dbraw/zinc/15/42/28/551154228.db2.gz UPEJTKMDCLSHAJ-HKUYNNGSSA-N 0 3 361.486 2.407 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000281961742 551163041 /nfs/dbraw/zinc/16/30/41/551163041.db2.gz SXJDJYDCVXBEEB-UHFFFAOYSA-N 0 3 363.531 2.452 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000282685072 551259650 /nfs/dbraw/zinc/25/96/50/551259650.db2.gz AHVUKAHJOSJAHS-DLBZAZTESA-N 0 3 351.468 2.359 20 30 FEEDHN COCCCn1nccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000282805835 551272659 /nfs/dbraw/zinc/27/26/59/551272659.db2.gz NSKSDTYBBPGYLA-UHFFFAOYSA-N 0 3 367.497 2.499 20 30 FEEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000283675183 551407441 /nfs/dbraw/zinc/40/74/41/551407441.db2.gz ZXSVFHLSFDRSMU-GOSISDBHSA-N 0 3 370.501 2.463 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(OCCC)cc2)CC1 ZINC000284021784 551469693 /nfs/dbraw/zinc/46/96/93/551469693.db2.gz KMPNFLBLIGBMBA-UHFFFAOYSA-N 0 3 373.497 2.248 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H](CC)c1ccncc1)C(C)C ZINC000284179647 551499343 /nfs/dbraw/zinc/49/93/43/551499343.db2.gz UWRGCDZORKJKFW-RBUKOAKNSA-N 0 3 372.513 2.464 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000285276336 551730874 /nfs/dbraw/zinc/73/08/74/551730874.db2.gz ZQMHJAFSGWLNOC-INIZCTEOSA-N 0 3 370.497 2.143 20 30 FEEDHN CC(C)(C)c1nn(Cc2ccccc2)cc1CNCCn1cnc(C#N)n1 ZINC000285379626 551746319 /nfs/dbraw/zinc/74/63/19/551746319.db2.gz CRJJPMMLVKCICC-UHFFFAOYSA-N 0 3 363.469 2.482 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000285429062 551754987 /nfs/dbraw/zinc/75/49/87/551754987.db2.gz QXEIPSJNOPGUBC-UHFFFAOYSA-N 0 3 363.259 2.477 20 30 FEEDHN C=CCC[C@@H](NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccco1 ZINC000286215033 551862314 /nfs/dbraw/zinc/86/23/14/551862314.db2.gz SEKHDUZDANBHIO-QGZVFWFLSA-N 0 3 369.469 2.405 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286294235 551870797 /nfs/dbraw/zinc/87/07/97/551870797.db2.gz CEHZIFIRUSXSQQ-KBPBESRZSA-N 0 3 355.360 2.380 20 30 FEEDHN C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCN1C ZINC000286321928 551874294 /nfs/dbraw/zinc/87/42/94/551874294.db2.gz QAYSBBIERAPKKM-OIISXLGYSA-N 0 3 358.461 2.465 20 30 FEEDHN COC(=O)[C@]1(C(F)(F)F)CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000286631180 551908531 /nfs/dbraw/zinc/90/85/31/551908531.db2.gz SPMALPBIWGNSOR-INIZCTEOSA-N 0 3 369.343 2.314 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCCN1CCN(CC)CC1 ZINC000286703622 551916521 /nfs/dbraw/zinc/91/65/21/551916521.db2.gz RFHIJUOMZNGCBJ-NRFANRHFSA-N 0 3 370.541 2.338 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286729846 551919703 /nfs/dbraw/zinc/91/97/03/551919703.db2.gz XQZKZEFRSAOXHL-DZGCQCFKSA-N 0 3 355.360 2.380 20 30 FEEDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000286975225 551946787 /nfs/dbraw/zinc/94/67/87/551946787.db2.gz OWOXIOMLVQYLFL-INIZCTEOSA-N 0 3 370.497 2.191 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(c2ccnc(C#N)c2)CC1 ZINC000287291650 551985969 /nfs/dbraw/zinc/98/59/69/551985969.db2.gz MFEMZYWBMKAMLD-UHFFFAOYSA-N 0 3 351.454 2.220 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCC(C)(C)CO)cc1 ZINC000287378421 551996551 /nfs/dbraw/zinc/99/65/51/551996551.db2.gz RKHMKMXLXPNLMY-ZDUSSCGKSA-N 0 3 367.471 2.293 20 30 FEEDHN C#CCN(Cc1ccccc1)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000287995886 552072690 /nfs/dbraw/zinc/07/26/90/552072690.db2.gz QKFCKZXVXIYIIS-UHFFFAOYSA-N 0 3 366.465 2.367 20 30 FEEDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000288045468 552080396 /nfs/dbraw/zinc/08/03/96/552080396.db2.gz DXAMJFWUOBOTMT-AWEZNQCLSA-N 0 3 366.421 2.355 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H](N4CCCC4)C[C@H]3C)CC2)o1 ZINC000288301707 552128813 /nfs/dbraw/zinc/12/88/13/552128813.db2.gz IAYSUFRMOIADGY-RHSMWYFYSA-N 0 3 371.485 2.156 20 30 FEEDHN C=CCCCNC(=O)C(=O)N(CCN(CC)CC)CCC(F)(F)F ZINC000288504645 552165257 /nfs/dbraw/zinc/16/52/57/552165257.db2.gz FHFQOFJKWSGFKU-UHFFFAOYSA-N 0 3 351.413 2.192 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000288518207 552167636 /nfs/dbraw/zinc/16/76/36/552167636.db2.gz PCDCIDRSDAJLEA-UYAOXDASSA-N 0 3 357.498 2.421 20 30 FEEDHN Cc1onc(CC(=O)NCc2ccc(OCCN3CCCC3)cc2)c1C#N ZINC000499979597 561563306 /nfs/dbraw/zinc/56/33/06/561563306.db2.gz PILWAZSDXOYLKI-UHFFFAOYSA-N 0 3 368.437 2.188 20 30 FEEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cc2noc(C)c2C#N)cc1 ZINC000500390596 561571415 /nfs/dbraw/zinc/57/14/15/561571415.db2.gz RQSTXMBELCXTDH-IBGZPJMESA-N 0 3 368.437 2.359 20 30 FEEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000500408302 561571745 /nfs/dbraw/zinc/57/17/45/561571745.db2.gz JMSIGASTPLIFES-GOSISDBHSA-N 0 3 352.438 2.472 20 30 FEEDHN COCCN(CCN(C)C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000289571677 552342546 /nfs/dbraw/zinc/34/25/46/552342546.db2.gz ZSRDLSBTIBNHJU-UHFFFAOYSA-N 0 3 355.486 2.474 20 30 FEEDHN CCS[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289630866 552352610 /nfs/dbraw/zinc/35/26/10/552352610.db2.gz BNXLKPPRAUBLES-LSDHHAIUSA-N 0 3 353.513 2.381 20 30 FEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000290114546 552429575 /nfs/dbraw/zinc/42/95/75/552429575.db2.gz FVNDMCHRJKDJLL-HNNXBMFYSA-N 0 3 356.474 2.149 20 30 FEEDHN CN1CC[C@@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000292048365 552688377 /nfs/dbraw/zinc/68/83/77/552688377.db2.gz AQUJZVONZCZWPG-OXQOHEQNSA-N 0 3 356.445 2.078 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]3CCCCN3C3CC3)C2)nc1 ZINC000292699909 552750697 /nfs/dbraw/zinc/75/06/97/552750697.db2.gz QOWUHHMDTPLMME-MSOLQXFVSA-N 0 3 369.469 2.133 20 30 FEEDHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCN(C2CCC2)C1 ZINC000293434506 552823271 /nfs/dbraw/zinc/82/32/71/552823271.db2.gz NZKKKTFWYVIVHO-CYBMUJFWSA-N 0 3 374.872 2.483 20 30 FEEDHN CN1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)C2)C1 ZINC000293530798 552832766 /nfs/dbraw/zinc/83/27/66/552832766.db2.gz ZNHJKKNQSIUUOO-GOSISDBHSA-N 0 3 360.845 2.094 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000294542446 552914307 /nfs/dbraw/zinc/91/43/07/552914307.db2.gz UCNOLOOACPWIRM-LJQANCHMSA-N 0 3 359.539 2.473 20 30 FEEDHN CC(C)(C#N)CNC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000501855417 561606821 /nfs/dbraw/zinc/60/68/21/561606821.db2.gz NYRDFNPLCIPOIX-LJQANCHMSA-N 0 3 369.513 2.138 20 30 FEEDHN CC(C)(CCC#N)CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000501859346 561606986 /nfs/dbraw/zinc/60/69/86/561606986.db2.gz WYWCTCWSYXJKSU-GOSISDBHSA-N 0 3 358.486 2.382 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000295413460 553002494 /nfs/dbraw/zinc/00/24/94/553002494.db2.gz SPCFUGONQGQTRG-ZDUSSCGKSA-N 0 3 356.470 2.151 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000295413460 553002495 /nfs/dbraw/zinc/00/24/95/553002495.db2.gz SPCFUGONQGQTRG-ZDUSSCGKSA-N 0 3 356.470 2.151 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1nccn1CCCc1ccccc1 ZINC000296286136 553135088 /nfs/dbraw/zinc/13/50/88/553135088.db2.gz BXRPWWMVMGIBRB-UHFFFAOYSA-N 0 3 367.497 2.270 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2noc(-c3ccccc3C)n2)CC1 ZINC000297494210 553299696 /nfs/dbraw/zinc/29/96/96/553299696.db2.gz AXCJTWLFMQINIC-UHFFFAOYSA-N 0 3 355.442 2.495 20 30 FEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000298051846 553377595 /nfs/dbraw/zinc/37/75/95/553377595.db2.gz FKCIOHXKEWSVSA-QLFBSQMISA-N 0 3 361.467 2.437 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C(=O)N(C)C)CC1)C(C)C ZINC000503410640 561640813 /nfs/dbraw/zinc/64/08/13/561640813.db2.gz XMIPPDLZCYULGF-SFHVURJKSA-N 0 3 364.534 2.195 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(C(=O)C(C)C)CC1)C(C)C ZINC000503439256 561641360 /nfs/dbraw/zinc/64/13/60/561641360.db2.gz QWVYXGIKSJDRBS-SFHVURJKSA-N 0 3 364.534 2.195 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000299702000 553603493 /nfs/dbraw/zinc/60/34/93/553603493.db2.gz FGRKCCJJLACDDS-HNNXBMFYSA-N 0 3 350.459 2.233 20 30 FEEDHN N#Cc1ccccc1-c1ccc(C[NH+]2CCC3(CC2)NC(=O)[N-]C3=O)cc1 ZINC000299730540 553609030 /nfs/dbraw/zinc/60/90/30/553609030.db2.gz WUXWNUCEWZSUJA-UHFFFAOYSA-N 0 3 360.417 2.399 20 30 FEEDHN N#Cc1ccccc1-c1ccc(CN2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000299730540 553609032 /nfs/dbraw/zinc/60/90/32/553609032.db2.gz WUXWNUCEWZSUJA-UHFFFAOYSA-N 0 3 360.417 2.399 20 30 FEEDHN C=CC[C@H](CO)CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000505379595 561670195 /nfs/dbraw/zinc/67/01/95/561670195.db2.gz LSOMKWUDSVMSLW-KRWDZBQOSA-N 0 3 361.486 2.143 20 30 FEEDHN CCN1CCN([C@@H](C)CNc2cc(C#N)c(Br)cn2)CC1 ZINC000603285257 553754441 /nfs/dbraw/zinc/75/44/41/553754441.db2.gz YGTLZQZTKUQATE-LBPRGKRZSA-N 0 3 352.280 2.154 20 30 FEEDHN C[C@H]1CCC[C@@](CNCCS(=O)(=O)c2ccc(C#N)cc2)(N(C)C)C1 ZINC000327064713 553785773 /nfs/dbraw/zinc/78/57/73/553785773.db2.gz YJJBUILXCXHNFO-QFBILLFUSA-N 0 3 363.527 2.432 20 30 FEEDHN Cc1nn(C(F)F)c(C)c1CC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000328712283 553810767 /nfs/dbraw/zinc/81/07/67/553810767.db2.gz NIQRPQKDOHVBPF-UHFFFAOYSA-N 0 3 357.449 2.420 20 30 FEEDHN CN1CCN(CCNC(=O)c2csc([C@H]3CCCO3)n2)CC1(C)C ZINC000328718274 553811636 /nfs/dbraw/zinc/81/16/36/553811636.db2.gz PSUSCCJZXAXAAQ-CQSZACIVSA-N 0 3 352.504 2.325 20 30 FEEDHN C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)N1CCC[C@@H](C)C1 ZINC000505786467 561680870 /nfs/dbraw/zinc/68/08/70/561680870.db2.gz AOKNVVABLOWKRG-VCBZYWHSSA-N 0 3 351.491 2.485 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000328815663 553826547 /nfs/dbraw/zinc/82/65/47/553826547.db2.gz OHADGGVHQCQHOW-QGZVFWFLSA-N 0 3 350.507 2.109 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)C1 ZINC000328817096 553826692 /nfs/dbraw/zinc/82/66/92/553826692.db2.gz OWHKAJFVOYJODK-GMBSWORKSA-N 0 3 373.501 2.303 20 30 FEEDHN CN1CC[C@H](NC(=O)N2CCn3c(nnc3C3CC3)C2)[C@H]1c1ccccc1 ZINC000328818799 553827291 /nfs/dbraw/zinc/82/72/91/553827291.db2.gz HVWIHKTXPKWVTO-FUHWJXTLSA-N 0 3 366.469 2.331 20 30 FEEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328850045 553832422 /nfs/dbraw/zinc/83/24/22/553832422.db2.gz WISYWWYSDWRBGK-HMDCTGQHSA-N 0 3 367.490 2.297 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000505930582 561685611 /nfs/dbraw/zinc/68/56/11/561685611.db2.gz PSSBKGAMPCNLKM-CLCXKQKWSA-N 0 3 351.491 2.485 20 30 FEEDHN CN1CCC2(CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000329015093 553865121 /nfs/dbraw/zinc/86/51/21/553865121.db2.gz PYJDDOIWFSXMNS-UHFFFAOYSA-N 0 3 351.447 2.087 20 30 FEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329035643 553868539 /nfs/dbraw/zinc/86/85/39/553868539.db2.gz YNLQZTREMVKOKL-DZDCQFRTSA-N 0 3 359.474 2.054 20 30 FEEDHN CN1CCC2(CCCN2C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000329068498 553874715 /nfs/dbraw/zinc/87/47/15/553874715.db2.gz MKGOJAYGFWNAPR-UHFFFAOYSA-N 0 3 360.462 2.108 20 30 FEEDHN CC(=O)N1CCC[C@](O)(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000329082488 553876971 /nfs/dbraw/zinc/87/69/71/553876971.db2.gz SDBSAYBIMYCDEX-NHCUHLMSSA-N 0 3 373.497 2.371 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CN1Cc1ccccc1 ZINC000329112261 553882455 /nfs/dbraw/zinc/88/24/55/553882455.db2.gz KMBZPFOUNMSATF-RBAQFSTRSA-N 0 3 373.497 2.491 20 30 FEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000329130969 553885852 /nfs/dbraw/zinc/88/58/52/553885852.db2.gz ORMDSTKSFDVHQD-IKGGRYGDSA-N 0 3 363.506 2.357 20 30 FEEDHN CN(CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C)[C@H]1CCSC1 ZINC000329159326 553891507 /nfs/dbraw/zinc/89/15/07/553891507.db2.gz DFYMGWLZHZFWTE-RLFYNMQTSA-N 0 3 365.547 2.197 20 30 FEEDHN O=C(CCN1CCC([C@H](O)C(=O)NC2CC2)CC1)N1CCc2ccccc21 ZINC000329189665 553898633 /nfs/dbraw/zinc/89/86/33/553898633.db2.gz PUSRPJHHFQUDAO-FQEVSTJZSA-N 0 3 371.481 2.158 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329212947 553903587 /nfs/dbraw/zinc/90/35/87/553903587.db2.gz IRDXATKENWDPGH-YVWKXTFCSA-N 0 3 361.486 2.349 20 30 FEEDHN CN(C(=O)CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)C1CCCCC1 ZINC000329262064 553912706 /nfs/dbraw/zinc/91/27/06/553912706.db2.gz DFMPZDKAPBVRPZ-DOTOQJQBSA-N 0 3 350.507 2.108 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000329264238 553913759 /nfs/dbraw/zinc/91/37/59/553913759.db2.gz BUCPQHYLVAKFDD-RYRKJORJSA-N 0 3 370.497 2.336 20 30 FEEDHN CC(=O)NC1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000329301604 553920966 /nfs/dbraw/zinc/92/09/66/553920966.db2.gz MZKLUYCIWHOIAF-ODIFPOPNSA-N 0 3 366.506 2.373 20 30 FEEDHN CC(C(=O)NCc1nc2ccccc2n1C)S(=O)(=O)C1CCOCC1 ZINC000329589570 553972592 /nfs/dbraw/zinc/97/25/92/553972592.db2.gz SRGNNVNVDOYVFW-GFCCVEGCSA-N 0 3 365.455 2.012 20 30 FEEDHN C[C@@H]1CN(C(=O)NCC2(N(C)C)CCCCCC2)C[C@@H](C)S1(=O)=O ZINC000329688037 553989309 /nfs/dbraw/zinc/98/93/09/553989309.db2.gz FZDCTDZBKPDXFC-HUUCEWRRSA-N 0 3 359.536 2.062 20 30 FEEDHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000329709110 553993026 /nfs/dbraw/zinc/99/30/26/553993026.db2.gz LKUKFRWGAMXPTE-DZGCQCFKSA-N 0 3 365.499 2.223 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000329721536 553995658 /nfs/dbraw/zinc/99/56/58/553995658.db2.gz DZSXKWYUZHYAPT-OCABDXPQSA-N 0 3 364.490 2.126 20 30 FEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000329870711 554022546 /nfs/dbraw/zinc/02/25/46/554022546.db2.gz BWCOFCOOBWEYHD-IAGOWNOFSA-N 0 3 364.534 2.293 20 30 FEEDHN Cn1nc(CC(=O)NC[C@@H]2CCCCN2C2CC2)c2ccccc2c1=O ZINC000329895539 554026518 /nfs/dbraw/zinc/02/65/18/554026518.db2.gz KMNZBPPKLNWMJS-HNNXBMFYSA-N 0 3 354.454 2.449 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000329945131 554036640 /nfs/dbraw/zinc/03/66/40/554036640.db2.gz FRKVYBQHMDLGRB-IAGOWNOFSA-N 0 3 362.522 2.267 20 30 FEEDHN CC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000329969928 554040884 /nfs/dbraw/zinc/04/08/84/554040884.db2.gz XQIHNVSUDXPFKO-YQQAZPJKSA-N 0 3 364.515 2.255 20 30 FEEDHN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)CN2[C@H](C)CC[C@@H]2C)no1 ZINC000329978415 554042845 /nfs/dbraw/zinc/04/28/45/554042845.db2.gz HMZTZVAHKGLJSV-NEBZKDRISA-N 0 3 353.442 2.120 20 30 FEEDHN CC(=O)N1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000329980981 554043532 /nfs/dbraw/zinc/04/35/32/554043532.db2.gz MJWLVGUUWUULAQ-APWZRJJASA-N 0 3 358.486 2.118 20 30 FEEDHN CC1CCN(CCNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1 ZINC000330019226 554050008 /nfs/dbraw/zinc/05/00/08/554050008.db2.gz USXAKPADVGLZFM-UHFFFAOYSA-N 0 3 374.533 2.440 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000330074152 554060000 /nfs/dbraw/zinc/06/00/00/554060000.db2.gz CRVBLWYFESLLBF-OIISXLGYSA-N 0 3 355.442 2.065 20 30 FEEDHN CC(C(=O)NC[C@](C)(O)C1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000330143257 554073056 /nfs/dbraw/zinc/07/30/56/554073056.db2.gz KHCHKKOOKLTAES-DYVFJYSZSA-N 0 3 361.504 2.257 20 30 FEEDHN Cc1noc(C)c1[C@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000330254073 554093370 /nfs/dbraw/zinc/09/33/70/554093370.db2.gz JHAFHYLTWIQENV-ZIAGYGMSSA-N 0 3 364.490 2.494 20 30 FEEDHN C[C@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000330409226 554117913 /nfs/dbraw/zinc/11/79/13/554117913.db2.gz JYTRTDQFFOZWSC-AEFFLSMTSA-N 0 3 364.515 2.109 20 30 FEEDHN CC(C)CNC(=O)NC(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000330915034 554187988 /nfs/dbraw/zinc/18/79/88/554187988.db2.gz JPANFDYLQPKRJM-TWMKSMIVSA-N 0 3 353.507 2.324 20 30 FEEDHN CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000330917213 554187997 /nfs/dbraw/zinc/18/79/97/554187997.db2.gz VYSQJPVOHGVCOU-DZGCQCFKSA-N 0 3 353.488 2.161 20 30 FEEDHN CCCCNC(=O)NC(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000330920442 554188555 /nfs/dbraw/zinc/18/85/55/554188555.db2.gz PESBDFJDMHPLCZ-YYIAUSFCSA-N 0 3 353.507 2.468 20 30 FEEDHN CC(C)NC(=O)NC1(C(=O)N[C@H](C)C2=CCN(C)CC2)CCCCC1 ZINC000331022930 554202939 /nfs/dbraw/zinc/20/29/39/554202939.db2.gz TXLHBQDEMFCDAK-OAHLLOKOSA-N 0 3 350.507 2.368 20 30 FEEDHN C=CCn1c(-c2ccoc2)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000508866583 561776027 /nfs/dbraw/zinc/77/60/27/561776027.db2.gz LRJDEYMHPULOES-UHFFFAOYSA-N 0 3 366.425 2.454 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000331613964 554295021 /nfs/dbraw/zinc/29/50/21/554295021.db2.gz KKDLTLQVHFYTLB-ATZDWAIDSA-N 0 3 356.470 2.370 20 30 FEEDHN COCC1(C#N)CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000510619970 561840783 /nfs/dbraw/zinc/84/07/83/561840783.db2.gz YBJQKDGONMTOLJ-UHFFFAOYSA-N 0 3 356.514 2.451 20 30 FEEDHN C[C@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C)CN1 ZINC000333584571 554625605 /nfs/dbraw/zinc/62/56/05/554625605.db2.gz AMYMJVWHWXYKFD-JCAIJIATSA-N 0 3 357.458 2.035 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000348626837 554692489 /nfs/dbraw/zinc/69/24/89/554692489.db2.gz SWPDYTYHOFOLFE-NJAFHUGGSA-N 0 3 357.454 2.020 20 30 FEEDHN C[C@H]1CN(CC2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000362431166 554971911 /nfs/dbraw/zinc/97/19/11/554971911.db2.gz SRGPXNDVGZADKE-IRXDYDNUSA-N 0 3 371.481 2.285 20 30 FEEDHN N#C[C@@H]1CN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCN1C1CC1 ZINC000362983765 555004768 /nfs/dbraw/zinc/00/47/68/555004768.db2.gz KPENPRPXBDAAGT-UXHICEINSA-N 0 3 367.497 2.205 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000363147209 555040564 /nfs/dbraw/zinc/04/05/64/555040564.db2.gz PNSKCTIEQIGORJ-MRXNPFEDSA-N 0 3 356.470 2.295 20 30 FEEDHN C=CCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363311298 555075806 /nfs/dbraw/zinc/07/58/06/555075806.db2.gz UIHWOBARZQEZBT-QGZVFWFLSA-N 0 3 352.438 2.016 20 30 FEEDHN C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@H]1C ZINC000363384685 555091499 /nfs/dbraw/zinc/09/14/99/555091499.db2.gz OCIUGFCZBUQPLV-BZUAXINKSA-N 0 3 355.486 2.300 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(c2nnc3n2CCC3)CC1 ZINC000363552495 555135647 /nfs/dbraw/zinc/13/56/47/555135647.db2.gz CDRSPPILNNYSLD-UHFFFAOYSA-N 0 3 367.453 2.363 20 30 FEEDHN CCN(CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)C1CC1 ZINC000363588290 555142613 /nfs/dbraw/zinc/14/26/13/555142613.db2.gz FYJVANJDLOYGSS-QGZVFWFLSA-N 0 3 355.486 2.079 20 30 FEEDHN CN(Cc1ccc(F)c(C#N)c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000363929291 555216340 /nfs/dbraw/zinc/21/63/40/555216340.db2.gz ABHMEAHMHDUXPY-UHFFFAOYSA-N 0 3 358.461 2.216 20 30 FEEDHN C=CCN(Cc1cc(=O)n2nccc2[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364155699 555259778 /nfs/dbraw/zinc/25/97/78/555259778.db2.gz GFPMFTDNEOIZEG-IBGZPJMESA-N 0 3 363.465 2.285 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000364269420 555281995 /nfs/dbraw/zinc/28/19/95/555281995.db2.gz SWIXWDBSDGZBDS-OAHLLOKOSA-N 0 3 356.470 2.452 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364557523 555337440 /nfs/dbraw/zinc/33/74/40/555337440.db2.gz FWAMIQMYJYFMTD-UHFFFAOYSA-N 0 3 356.470 2.201 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365030932 555469296 /nfs/dbraw/zinc/46/92/96/555469296.db2.gz ZNMYYWZHWDMPMS-MOPGFXCFSA-N 0 3 368.481 2.040 20 30 FEEDHN N#Cc1ncn(CCNCc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000512895462 561919269 /nfs/dbraw/zinc/91/92/69/561919269.db2.gz PRZWAARKBZSCOM-UHFFFAOYSA-N 0 3 358.405 2.390 20 30 FEEDHN C=CCN(C(=O)COC[C@H]1CCOC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000365325903 555543366 /nfs/dbraw/zinc/54/33/66/555543366.db2.gz JFDDQNRPUFZHHC-VQTJNVASSA-N 0 3 358.482 2.329 20 30 FEEDHN C=CCN(C(=O)COC[C@@H]1CCOC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000365325902 555543486 /nfs/dbraw/zinc/54/34/86/555543486.db2.gz JFDDQNRPUFZHHC-UXHICEINSA-N 0 3 358.482 2.329 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000365712444 555648307 /nfs/dbraw/zinc/64/83/07/555648307.db2.gz OROKQXSTWRSTRF-RBUKOAKNSA-N 0 3 365.481 2.183 20 30 FEEDHN CN1CCC(n2ccc(=NC(=O)c3cccc(SCC#N)c3)[nH]2)CC1 ZINC000365884296 555692555 /nfs/dbraw/zinc/69/25/55/555692555.db2.gz UAFBBDRSYTXQEU-UHFFFAOYSA-N 0 3 355.467 3.018 20 30 FEEDHN C[C@H](N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013881 555727496 /nfs/dbraw/zinc/72/74/96/555727496.db2.gz YNCDNSXYRWUETR-RDJZCZTQSA-N 0 3 362.905 2.269 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000513608540 561944347 /nfs/dbraw/zinc/94/43/47/561944347.db2.gz JKAOWUNEWSYQDW-CTNGQTDRSA-N 0 3 363.461 2.480 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc3c2OCCC3)CC1 ZINC000366163521 555769113 /nfs/dbraw/zinc/76/91/13/555769113.db2.gz VWGVYHCOJBFONZ-UHFFFAOYSA-N 0 3 357.454 2.107 20 30 FEEDHN C=CCOCCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000366785806 555933763 /nfs/dbraw/zinc/93/37/63/555933763.db2.gz RQOOYZAFDGVBBP-IAGOWNOFSA-N 0 3 353.507 2.110 20 30 FEEDHN C[C@H](CC#N)N(C)S(=O)(=O)NC1CCN(C2CCC(C)CC2)CC1 ZINC000367174823 556003155 /nfs/dbraw/zinc/00/31/55/556003155.db2.gz XNNWXMIJRRIPQQ-ISXOHVOVSA-N 0 3 356.536 2.098 20 30 FEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000514793079 561980023 /nfs/dbraw/zinc/98/00/23/561980023.db2.gz GNDLQCHMDQEHBJ-NMLBUPMWSA-N 0 3 364.449 2.004 20 30 FEEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC3CCC2CC3)CC1 ZINC000367763315 556132889 /nfs/dbraw/zinc/13/28/89/556132889.db2.gz KUHHFVHYUYVFMO-JCYILVPMSA-N 0 3 358.511 2.331 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000367851267 556154525 /nfs/dbraw/zinc/15/45/25/556154525.db2.gz XXWBGVNIRPUUTJ-HXUWFJFHSA-N 0 3 369.490 2.500 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCN(C(=O)c3ccco3)CC2)CC1 ZINC000369085933 556500862 /nfs/dbraw/zinc/50/08/62/556500862.db2.gz XNPPTJFQJABPGT-UHFFFAOYSA-N 0 3 374.485 2.178 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(N2CCN(CCC)CC2)CC1 ZINC000369153677 556519012 /nfs/dbraw/zinc/51/90/12/556519012.db2.gz DNOGLOCWTVFVQY-IBGZPJMESA-N 0 3 364.578 2.292 20 30 FEEDHN C#CCCN1CCC(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1 ZINC000369593642 556641453 /nfs/dbraw/zinc/64/14/53/556641453.db2.gz VIQCTXKLUXSQQE-KRWDZBQOSA-N 0 3 353.466 2.182 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(Oc2cnccn2)CC1 ZINC000369683714 556668014 /nfs/dbraw/zinc/66/80/14/556668014.db2.gz OGMUVGGTVSUTLH-UHFFFAOYSA-N 0 3 351.410 2.220 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000369865283 556716781 /nfs/dbraw/zinc/71/67/81/556716781.db2.gz YCFLLQRKOWMSBZ-LSBZLQRGSA-N 0 3 374.460 2.386 20 30 FEEDHN CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000369953071 556739600 /nfs/dbraw/zinc/73/96/00/556739600.db2.gz WCZJXGSZZDFPST-OAQYLSRUSA-N 0 3 362.477 2.381 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000516514640 562045700 /nfs/dbraw/zinc/04/57/00/562045700.db2.gz CEXHMYAGACHDMY-XHSDSOJGSA-N 0 3 351.495 2.107 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000370216585 556813878 /nfs/dbraw/zinc/81/38/78/556813878.db2.gz RUIQGYBSIIIAJX-SFHVURJKSA-N 0 3 355.482 2.192 20 30 FEEDHN CN(C(=O)C#Cc1ccc2c(c1)OCO2)C1CCN(c2ccncc2)CC1 ZINC000370522193 556898452 /nfs/dbraw/zinc/89/84/52/556898452.db2.gz KNNVKCLVKHJJOB-UHFFFAOYSA-N 0 3 363.417 2.289 20 30 FEEDHN CN(C)CCn1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)n1 ZINC000517038946 562072893 /nfs/dbraw/zinc/07/28/93/562072893.db2.gz SDPJIALAZBYNDP-HNNXBMFYSA-N 0 3 365.359 2.458 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC3(CCOC3=O)CC1)CCC2 ZINC000371151262 557089897 /nfs/dbraw/zinc/08/98/97/557089897.db2.gz LYWREDFHWXRGPE-UHFFFAOYSA-N 0 3 373.478 2.466 20 30 FEEDHN N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000517272177 562083942 /nfs/dbraw/zinc/08/39/42/562083942.db2.gz HJUAOJYIIXRNDD-UHFFFAOYSA-N 0 3 370.478 2.418 20 30 FEEDHN CN1CCN(CC2(C)CCN(Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000371868859 557315199 /nfs/dbraw/zinc/31/51/99/557315199.db2.gz CIQBRSZPLCKEDH-UHFFFAOYSA-N 0 3 366.513 2.055 20 30 FEEDHN CN(C)C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)c2ccccc2O1 ZINC000372001331 557353257 /nfs/dbraw/zinc/35/32/57/557353257.db2.gz LWPWDHQTXDWJGU-GOSISDBHSA-N 0 3 364.449 2.004 20 30 FEEDHN CC(C)CN1CCCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000372641645 557527783 /nfs/dbraw/zinc/52/77/83/557527783.db2.gz UKDXYRJWEVXEOP-MRXNPFEDSA-N 0 3 372.469 2.106 20 30 FEEDHN CC(=O)NCC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000519590895 562136113 /nfs/dbraw/zinc/13/61/13/562136113.db2.gz CXXDVIUDLVYMLA-OALUTQOASA-N 0 3 352.438 2.005 20 30 FEEDHN C=CCN(C(=O)[C@@H](OC)c1cnn(C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000373987028 557801538 /nfs/dbraw/zinc/80/15/38/557801538.db2.gz WKAQBLPXRMZBJZ-PMACEKPBSA-N 0 3 368.481 2.397 20 30 FEEDHN Cc1cc(NC(=O)NC2(CN(C)C)CCC2)nn1-c1cccc(C#N)c1 ZINC000374170860 557836701 /nfs/dbraw/zinc/83/67/01/557836701.db2.gz KAUPYARBQDRBOR-UHFFFAOYSA-N 0 3 352.442 2.658 20 30 FEEDHN C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN1C1CCN(C)CC1 ZINC000374252795 557851301 /nfs/dbraw/zinc/85/13/01/557851301.db2.gz AAWANNSWRKCMTM-QGZVFWFLSA-N 0 3 354.498 2.118 20 30 FEEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000374345683 557868856 /nfs/dbraw/zinc/86/88/56/557868856.db2.gz DPTRPGPEJNKLCR-GOEBONIOSA-N 0 3 361.854 2.327 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000374559278 557899790 /nfs/dbraw/zinc/89/97/90/557899790.db2.gz FZZQKHHLCWHALI-IFMALSPDSA-N 0 3 366.461 2.324 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1 ZINC000374565428 557900617 /nfs/dbraw/zinc/90/06/17/557900617.db2.gz GZFJXHZKGVBKRO-FUHWJXTLSA-N 0 3 353.422 2.327 20 30 FEEDHN COC(=O)[C@]12CCC[C@@H]1CN([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000374645889 557911613 /nfs/dbraw/zinc/91/16/13/557911613.db2.gz KCKWEICNXAZWBF-LBTNJELSSA-N 0 3 359.451 2.000 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CCC(=O)NC23CCC3)c1C ZINC000374856270 557941577 /nfs/dbraw/zinc/94/15/77/557941577.db2.gz NQRMCELEOHXYIY-GOSISDBHSA-N 0 3 368.481 2.341 20 30 FEEDHN N#Cc1ncn(C2CCN(CCC(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000375919243 558099678 /nfs/dbraw/zinc/09/96/78/558099678.db2.gz IWRSNBURKYOXOF-UHFFFAOYSA-N 0 3 358.833 2.469 20 30 FEEDHN C[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000376107509 558128055 /nfs/dbraw/zinc/12/80/55/558128055.db2.gz UKRXJLFUSLSOPF-KBXCAEBGSA-N 0 3 360.889 2.310 20 30 FEEDHN N#Cc1ncn(C2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)n1 ZINC000377429584 558338994 /nfs/dbraw/zinc/33/89/94/558338994.db2.gz BDSIJLJMWKEMMZ-UHFFFAOYSA-N 0 3 364.453 2.223 20 30 FEEDHN CN1CC[C@H](NC[C@H](O)COc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000377644525 558384956 /nfs/dbraw/zinc/38/49/56/558384956.db2.gz FNFCGUMNMPVGFD-SESVDKBCSA-N 0 3 369.440 2.472 20 30 FEEDHN CN1CC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000377650464 558386635 /nfs/dbraw/zinc/38/66/35/558386635.db2.gz IZAPGWKZPJDTJT-PMACEKPBSA-N 0 3 369.490 2.367 20 30 FEEDHN CN1CC[C@H](NCC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377685344 558396408 /nfs/dbraw/zinc/39/64/08/558396408.db2.gz ZXWKKPYPJCBHSH-HKUYNNGSSA-N 0 3 373.888 2.331 20 30 FEEDHN CC(C)(C#N)CCS(=O)(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 ZINC000377835123 558431403 /nfs/dbraw/zinc/43/14/03/558431403.db2.gz RAWLQSMHVRSSIZ-SFHVURJKSA-N 0 3 363.527 2.410 20 30 FEEDHN C#Cc1ccccc1CC(=O)N1CCC(N2CCN(CCC)CC2)CC1 ZINC000377930818 558449378 /nfs/dbraw/zinc/44/93/78/558449378.db2.gz FHVYXVWGJLQDHG-UHFFFAOYSA-N 0 3 353.510 2.229 20 30 FEEDHN CCc1nc(CN2CCC[C@@H](N(C)C[C@H](O)c3ccc(C#N)cc3)C2)no1 ZINC000378142235 558489904 /nfs/dbraw/zinc/48/99/04/558489904.db2.gz LTLVYFOLRPAXBZ-MSOLQXFVSA-N 0 3 369.469 2.133 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C)(CN2CCOCC2)CC1 ZINC000378267887 558515535 /nfs/dbraw/zinc/51/55/35/558515535.db2.gz CTGDNYANIHHRFM-QGZVFWFLSA-N 0 3 370.497 2.320 20 30 FEEDHN N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3CCCN3C3CCOCC3)CCO2)c1 ZINC000378298562 558523127 /nfs/dbraw/zinc/52/31/27/558523127.db2.gz GVQQUGQTEUEYPC-PMACEKPBSA-N 0 3 369.465 2.102 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000378447075 558559334 /nfs/dbraw/zinc/55/93/34/558559334.db2.gz ACPLNFVRSGLZCY-MAUKXSAKSA-N 0 3 357.454 2.133 20 30 FEEDHN Cc1cc(=NC(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)[nH]n1CCC#N ZINC000378513450 558572935 /nfs/dbraw/zinc/57/29/35/558572935.db2.gz SKRYUEMEQIGEBY-YOEHRIQHSA-N 0 3 372.498 2.981 20 30 FEEDHN C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)N1CCO ZINC000378568028 558585261 /nfs/dbraw/zinc/58/52/61/558585261.db2.gz WAOKYHFWPZDBBO-ROUUACIJSA-N 0 3 367.497 2.351 20 30 FEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000409530437 558700383 /nfs/dbraw/zinc/70/03/83/558700383.db2.gz SNGBIVBRFDAACH-WMZOPIPTSA-N 0 3 364.515 2.139 20 30 FEEDHN CO[C@@](C)([C@@H](C)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000411968931 558997179 /nfs/dbraw/zinc/99/71/79/558997179.db2.gz KQHFUQTWJLRROZ-VLIAUNLRSA-N 0 3 367.453 2.476 20 30 FEEDHN N#Cc1cnc(NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)c(F)c1 ZINC000413573713 559117495 /nfs/dbraw/zinc/11/74/95/559117495.db2.gz MSIWKXSVSKRBGJ-UHFFFAOYSA-N 0 3 367.428 2.402 20 30 FEEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415446725 559237933 /nfs/dbraw/zinc/23/79/33/559237933.db2.gz HKSMTNZCZSGDOX-NWDGAFQWSA-N 0 3 358.833 2.611 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](N)c1ccccc1 ZINC000415463907 559239967 /nfs/dbraw/zinc/23/99/67/559239967.db2.gz KTJCAWRSPQMNKZ-MRXNPFEDSA-N 0 3 354.410 2.405 20 30 FEEDHN CCCc1c(NC(=O)NCCNCCOC)cnn1-c1cccc(C#N)c1 ZINC000415587487 559252946 /nfs/dbraw/zinc/25/29/46/559252946.db2.gz YZSWDHZVZKUGFJ-UHFFFAOYSA-N 0 3 370.457 2.054 20 30 FEEDHN CN(C)[C@@H](CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000416140248 559293991 /nfs/dbraw/zinc/29/39/91/559293991.db2.gz SJQQMCNMUUMSOJ-IBGZPJMESA-N 0 3 363.465 2.295 20 30 FEEDHN C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417580678 559367560 /nfs/dbraw/zinc/36/75/60/559367560.db2.gz RKCCMHJOYSJFSN-SQWLQELKSA-N 0 3 359.449 2.058 20 30 FEEDHN CC(C)(CC#N)CNC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418968907 559423902 /nfs/dbraw/zinc/42/39/02/559423902.db2.gz DARIZCOFFFAVPP-KRWDZBQOSA-N 0 3 352.438 2.012 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CNCC[C@H]1c1ccc(OC)cc1 ZINC000419153573 559430251 /nfs/dbraw/zinc/43/02/51/559430251.db2.gz OUQOJJVHAGFPQC-SNRMKQJTSA-N 0 3 373.497 2.118 20 30 FEEDHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCc2ccc(C#N)cc2)cc1 ZINC000419273488 559434881 /nfs/dbraw/zinc/43/48/81/559434881.db2.gz BPTHIODJJHAKDO-IBGZPJMESA-N 0 3 364.449 2.114 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419798127 559459816 /nfs/dbraw/zinc/45/98/16/559459816.db2.gz WRHUTUPIIHHVHR-CYBMUJFWSA-N 0 3 360.483 2.230 20 30 FEEDHN CC(C)(CC#N)CNC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000421041755 559521515 /nfs/dbraw/zinc/52/15/15/559521515.db2.gz YOOAWJQVPISRMF-UHFFFAOYSA-N 0 3 370.497 2.345 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N[C@@H]2CCCN(C)[C@@H]2C)c(C#N)cn1CC ZINC000421173675 559528747 /nfs/dbraw/zinc/52/87/47/559528747.db2.gz MCXSNBCQAZEFJQ-TZMCWYRMSA-N 0 3 361.446 2.161 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2nc3c(s2)CCC3(C)C)CC1 ZINC000421209256 559531161 /nfs/dbraw/zinc/53/11/61/559531161.db2.gz YJZQJTYCPBPMQO-UHFFFAOYSA-N 0 3 362.499 2.072 20 30 FEEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)s1 ZINC000421241659 559533055 /nfs/dbraw/zinc/53/30/55/559533055.db2.gz DIJSVERSYIZFMY-UHFFFAOYSA-N 0 3 356.451 2.245 20 30 FEEDHN CN(C[C@H]1CCCN1C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000421708874 559550291 /nfs/dbraw/zinc/55/02/91/559550291.db2.gz BIITYNHBYFCJBU-CYBMUJFWSA-N 0 3 366.259 2.252 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CCN(CC=C)CC1 ZINC000422291286 559576102 /nfs/dbraw/zinc/57/61/02/559576102.db2.gz CYLBFXWKWSYMAW-IBGZPJMESA-N 0 3 355.482 2.057 20 30 FEEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1S(=O)(=O)NC(C)(C)C ZINC000424130108 559655635 /nfs/dbraw/zinc/65/56/35/559655635.db2.gz SUJZZFKBAXQCKQ-CQSZACIVSA-N 0 3 366.487 2.032 20 30 FEEDHN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)[C@@H](N)CCCC#N ZINC000424196772 559657242 /nfs/dbraw/zinc/65/72/42/559657242.db2.gz VSQWGELSVGKLNW-SFHVURJKSA-N 0 3 353.470 2.499 20 30 FEEDHN C=CCCn1cc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)nn1 ZINC000424797184 559676860 /nfs/dbraw/zinc/67/68/60/559676860.db2.gz QZIBZTHRGXCDNZ-WMZOPIPTSA-N 0 3 354.458 2.014 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@H](n3ccnn3)C2)c(OC)c1 ZINC000425497093 559705668 /nfs/dbraw/zinc/70/56/68/559705668.db2.gz BYFLOAASGLAQAZ-ZWKOTPCHSA-N 0 3 372.469 2.092 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000425682238 559714750 /nfs/dbraw/zinc/71/47/50/559714750.db2.gz RJOSKOXVVZXYCF-HOCLYGCPSA-N 0 3 363.458 2.348 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)nn1 ZINC000425784997 559719477 /nfs/dbraw/zinc/71/94/77/559719477.db2.gz KWGAXCNHAXATEN-MAUKXSAKSA-N 0 3 356.474 2.263 20 30 FEEDHN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000427663705 559759976 /nfs/dbraw/zinc/75/99/76/559759976.db2.gz PHSXDBDGONAFRI-SFHVURJKSA-N 0 3 370.497 2.334 20 30 FEEDHN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000427717099 559760928 /nfs/dbraw/zinc/76/09/28/559760928.db2.gz AFAREVDUADTEDL-INIZCTEOSA-N 0 3 359.470 2.441 20 30 FEEDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000429777433 559805475 /nfs/dbraw/zinc/80/54/75/559805475.db2.gz XVLVYISXCVPCNU-ZWKOTPCHSA-N 0 3 356.470 2.054 20 30 FEEDHN Cc1nsc(N2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)n1 ZINC000433380136 559879261 /nfs/dbraw/zinc/87/92/61/559879261.db2.gz ZDZNDVYBPFCZQL-INIZCTEOSA-N 0 3 355.467 2.268 20 30 FEEDHN COC[C@H](N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@H]1CCCO1 ZINC000434781749 559909260 /nfs/dbraw/zinc/90/92/60/559909260.db2.gz DEOHQTSFKUKYGW-XFHVWQCUSA-N 0 3 351.491 2.089 20 30 FEEDHN C[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000442097796 560043868 /nfs/dbraw/zinc/04/38/68/560043868.db2.gz OTWHPKPVXUQWJF-GFCCVEGCSA-N 0 3 365.405 2.466 20 30 FEEDHN C=CCN(C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)C1CC1 ZINC000442409145 560050734 /nfs/dbraw/zinc/05/07/34/560050734.db2.gz LTUWJKNRIOKIEC-UHFFFAOYSA-N 0 3 370.497 2.333 20 30 FEEDHN Cc1cc(S(=O)(=O)NCc2ccccc2OCCN(C)C)ccc1C#N ZINC000443896715 560095471 /nfs/dbraw/zinc/09/54/71/560095471.db2.gz FRFMSYNGNJRMCD-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCCC(C)(C)C1 ZINC000447420172 560161975 /nfs/dbraw/zinc/16/19/75/560161975.db2.gz YKIDLOCLKBHVGA-UHFFFAOYSA-N 0 3 372.469 2.134 20 30 FEEDHN Cc1nc(C)n(CCCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)n1 ZINC000448817929 560200933 /nfs/dbraw/zinc/20/09/33/560200933.db2.gz ZDTHBXMKULUCQC-UHFFFAOYSA-N 0 3 368.485 2.137 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nn(C)c2c1CCCC2 ZINC000449754891 560239045 /nfs/dbraw/zinc/23/90/45/560239045.db2.gz MVXACLKHAOOOFT-UHFFFAOYSA-N 0 3 365.481 2.375 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCN1C ZINC000449942634 560245934 /nfs/dbraw/zinc/24/59/34/560245934.db2.gz UTYIZOJXAVCNBQ-BPLDGKMQSA-N 0 3 374.872 2.163 20 30 FEEDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000450133943 560251634 /nfs/dbraw/zinc/25/16/34/560251634.db2.gz NGWWTHAVGGMOJQ-CQSZACIVSA-N 0 3 374.828 2.160 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000451706006 560323392 /nfs/dbraw/zinc/32/33/92/560323392.db2.gz JFOKBTBWXOAHKZ-RXVVDRJESA-N 0 3 356.514 2.495 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453610961 560391162 /nfs/dbraw/zinc/39/11/62/560391162.db2.gz RFRPYALEAAARTL-CYBMUJFWSA-N 0 3 362.861 2.335 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453617660 560391475 /nfs/dbraw/zinc/39/14/75/560391475.db2.gz YSPPASMBUGQIFY-CYBMUJFWSA-N 0 3 362.861 2.335 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000453669152 560395168 /nfs/dbraw/zinc/39/51/68/560395168.db2.gz ITEMXRKDVAGXQY-GOSISDBHSA-N 0 3 354.454 2.282 20 30 FEEDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(C)n2)C1 ZINC000453678159 560395961 /nfs/dbraw/zinc/39/59/61/560395961.db2.gz RSCOVUQLJBTSAN-HNNXBMFYSA-N 0 3 371.485 2.217 20 30 FEEDHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC1 ZINC000453689576 560397056 /nfs/dbraw/zinc/39/70/56/560397056.db2.gz GPXNDOKYPSXZLI-UHFFFAOYSA-N 0 3 372.469 2.275 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2nn(C)cc2Br)CC1 ZINC000454467713 560445462 /nfs/dbraw/zinc/44/54/62/560445462.db2.gz RJFHHZKVFUASPY-UHFFFAOYSA-N 0 3 370.295 2.022 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@H]2CCOC2)cc1 ZINC000455248565 560475611 /nfs/dbraw/zinc/47/56/11/560475611.db2.gz HGECRRVJLGXVGY-KGLIPLIRSA-N 0 3 365.455 2.311 20 30 FEEDHN CC(C#N)C(=O)N(CCN(C(=O)[C@H](C)C#N)C1CC1)Cc1ccccc1 ZINC000456698509 560529435 /nfs/dbraw/zinc/52/94/35/560529435.db2.gz MBKFJYSXVIUZKF-HZPDHXFCSA-N 0 3 352.438 2.326 20 30 FEEDHN CC(C#N)C(=O)N(CCN(Cc1ccccc1)C(=O)[C@H](C)C#N)C1CC1 ZINC000456698509 560529436 /nfs/dbraw/zinc/52/94/36/560529436.db2.gz MBKFJYSXVIUZKF-HZPDHXFCSA-N 0 3 352.438 2.326 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CC1 ZINC000458331020 560615443 /nfs/dbraw/zinc/61/54/43/560615443.db2.gz HKJGYTPCNVKMCS-ICSRJNTNSA-N 0 3 361.461 2.146 20 30 FEEDHN CO[C@H]([C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000459211049 560674327 /nfs/dbraw/zinc/67/43/27/560674327.db2.gz WVVLJPAQSQVTRG-HNAYVOBHSA-N 0 3 358.486 2.445 20 30 FEEDHN C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460804418 560752376 /nfs/dbraw/zinc/75/23/76/560752376.db2.gz PWWCVZACNOMMHW-KRWDZBQOSA-N 0 3 374.533 2.446 20 30 FEEDHN C[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CCC(C)CC1 ZINC000462009899 560792050 /nfs/dbraw/zinc/79/20/50/560792050.db2.gz RHYYDEQANJHZRG-INIZCTEOSA-N 0 3 356.470 2.451 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000463593363 560819285 /nfs/dbraw/zinc/81/92/85/560819285.db2.gz WBLQEGUMDOEKMF-UHFFFAOYSA-N 0 3 371.437 2.236 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ncc(Cl)cc2C)CC1 ZINC000463665228 560820697 /nfs/dbraw/zinc/82/06/97/560820697.db2.gz OWSNKKZIGNZOND-UHFFFAOYSA-N 0 3 350.850 2.139 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H](CCC)CCCS(C)(=O)=O)CC1 ZINC000468753927 560937858 /nfs/dbraw/zinc/93/78/58/560937858.db2.gz AAYJAIYKPQBLDK-MRXNPFEDSA-N 0 3 358.548 2.384 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cn(-c3cc(C)cc(F)c3)nn2)CC1 ZINC000468936004 560942678 /nfs/dbraw/zinc/94/26/78/560942678.db2.gz KBTSBNKKRAFFKF-UHFFFAOYSA-N 0 3 357.433 2.485 20 30 FEEDHN CN(C)CCN(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470546093 560984438 /nfs/dbraw/zinc/98/44/38/560984438.db2.gz JXYSZZBWALVLFX-UHFFFAOYSA-N 0 3 357.458 2.295 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@](C)(C(=O)OC)C1)C(C)C ZINC000470900299 560993268 /nfs/dbraw/zinc/99/32/68/560993268.db2.gz OTQZABMHPMQCNG-VQIMIIECSA-N 0 3 351.491 2.280 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCN(C(C)C)CC3)C2)n1 ZINC000471875883 561013464 /nfs/dbraw/zinc/01/34/64/561013464.db2.gz KAWAKYCCIMHORL-IBGZPJMESA-N 0 3 369.513 2.421 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000472998340 561039797 /nfs/dbraw/zinc/03/97/97/561039797.db2.gz GBKBEODNHHTKFM-RTBURBONSA-N 0 3 364.534 2.458 20 30 FEEDHN CC1CCN(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000474767865 561082395 /nfs/dbraw/zinc/08/23/95/561082395.db2.gz KRWRGUABBOVVQU-UHFFFAOYSA-N 0 3 368.481 2.467 20 30 FEEDHN COc1cccc2c1CCN(C[C@H](O)COc1ccccc1C#N)CC2 ZINC000528480832 562331613 /nfs/dbraw/zinc/33/16/13/562331613.db2.gz KTJXOWYHJHUOCI-SFHVURJKSA-N 0 3 352.434 2.407 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCCN(c2ccccc2)C1=O ZINC000530230185 562403101 /nfs/dbraw/zinc/40/31/01/562403101.db2.gz FDHFHJFTGCHTQD-OALUTQOASA-N 0 3 365.433 2.083 20 30 FEEDHN COc1ccc2c(c1)[C@@H](NC[C@@H](O)COc1ccccc1C#N)CCO2 ZINC000530233196 562403217 /nfs/dbraw/zinc/40/32/17/562403217.db2.gz VAEMYRYKNLJCFR-QAPCUYQASA-N 0 3 354.406 2.420 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000546005240 562632636 /nfs/dbraw/zinc/63/26/36/562632636.db2.gz HHGFZCRCBUGUIX-CQSZACIVSA-N 0 3 372.469 2.132 20 30 FEEDHN N#CCc1ccc(OC[C@@H](O)CNCc2cccc3c2CCOC3)cc1 ZINC000601969654 567890260 /nfs/dbraw/zinc/89/02/60/567890260.db2.gz RPMYRQVPNYANNB-IBGZPJMESA-N 0 3 352.434 2.355 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N3CCC(CC#N)CC3)ccc2[nH]c1=O ZINC000602139353 567934902 /nfs/dbraw/zinc/93/49/02/567934902.db2.gz DQTFKTOEPVOHNQ-UHFFFAOYSA-N 0 3 355.442 2.069 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)NCC3(C#N)CCCC3)ccc2[nH]c1=O ZINC000602172320 567941035 /nfs/dbraw/zinc/94/10/35/567941035.db2.gz PKYDWPZTMOJBSN-UHFFFAOYSA-N 0 3 355.442 2.117 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000602515508 567986510 /nfs/dbraw/zinc/98/65/10/567986510.db2.gz XDDCYOKZOUBXCF-HNNXBMFYSA-N 0 3 365.499 2.125 20 30 FEEDHN CS(=O)(=O)N1CCC[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000568455848 568039813 /nfs/dbraw/zinc/03/98/13/568039813.db2.gz GCFVNDWKWCAIBV-ZDUSSCGKSA-N 0 3 361.389 2.091 20 30 FEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000584666093 568157501 /nfs/dbraw/zinc/15/75/01/568157501.db2.gz JMMYBOQXIUDNGJ-HNNXBMFYSA-N 0 3 373.501 2.290 20 30 FEEDHN CCCN1CCC[C@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000604541747 568309689 /nfs/dbraw/zinc/30/96/89/568309689.db2.gz IQEARUQTZRPWLH-OALUTQOASA-N 0 3 358.461 2.409 20 30 FEEDHN C[C@H]1C[C@H](C)CN(CCCNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569421716 568401784 /nfs/dbraw/zinc/40/17/84/568401784.db2.gz XHNNLJKHJRLSNJ-IRXDYDNUSA-N 0 3 363.527 2.290 20 30 FEEDHN C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccc(C#N)cc1 ZINC000737196514 598899696 /nfs/dbraw/zinc/89/96/96/598899696.db2.gz NKDPCQVJQNOJKW-INIZCTEOSA-N 0 3 373.464 2.445 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824586005 608484629 /nfs/dbraw/zinc/48/46/29/608484629.db2.gz WFZIOESJVQVCGF-LLVKDONJSA-N 0 3 367.438 2.479 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824586005 608484630 /nfs/dbraw/zinc/48/46/30/608484630.db2.gz WFZIOESJVQVCGF-LLVKDONJSA-N 0 3 367.438 2.479 20 30 FEEDHN COCC[C@H]1COCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000812889534 674704694 /nfs/dbraw/zinc/70/46/94/674704694.db2.gz TYJCEISDNWXPOA-KBPBESRZSA-N 0 3 359.451 2.210 20 30 FEEDHN COCC[C@@H](Cc1ccco1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000563012035 674834673 /nfs/dbraw/zinc/83/46/73/674834673.db2.gz TTWKTBCJCBMKNM-INIZCTEOSA-N 0 3 362.451 2.162 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCCN(C)CCOC ZINC000061376653 670394784 /nfs/dbraw/zinc/39/47/84/670394784.db2.gz JVZLZEUFXPEPGG-UHFFFAOYSA-N 0 3 355.276 2.129 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000106038099 670808661 /nfs/dbraw/zinc/80/86/61/670808661.db2.gz JFCULJYGWJEUOG-UHFFFAOYSA-N 0 3 372.437 2.453 20 30 FEEDHN CC(C)C[C@@H](CN1CCCC1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000574192820 671213395 /nfs/dbraw/zinc/21/33/95/671213395.db2.gz MMPSMKZIUNWTPH-SFHVURJKSA-N 0 3 363.527 2.432 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000818101853 675196322 /nfs/dbraw/zinc/19/63/22/675196322.db2.gz XGPALQNEYBNTGJ-HUUCEWRRSA-N 0 3 366.259 2.370 20 30 FEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CCC#N)CC(C)(C)C ZINC000579644694 671750211 /nfs/dbraw/zinc/75/02/11/671750211.db2.gz RVHXBIZJICDSJJ-NSHDSACASA-N 0 3 372.409 2.462 20 30 FEEDHN Cc1nn(C)c2sc(C(=O)C(C#N)C(=O)NCCCOC(C)C)cc12 ZINC000125496714 672012459 /nfs/dbraw/zinc/01/24/59/672012459.db2.gz LOIKHFVGFMFTGI-CYBMUJFWSA-N 0 3 362.455 2.197 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000129372186 672061654 /nfs/dbraw/zinc/06/16/54/672061654.db2.gz UQGBGYGRYXVABJ-FCMIHCFBSA-N 0 3 367.515 2.375 20 30 FEEDHN CC(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000130154117 672071760 /nfs/dbraw/zinc/07/17/60/672071760.db2.gz QUZZLGJZAYTCJB-CYBMUJFWSA-N 0 3 365.792 2.385 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](CC(C)C)NC(=O)OCC)CC1 ZINC000171716599 672335118 /nfs/dbraw/zinc/33/51/18/672335118.db2.gz ZEZLICVGCMODFR-MRXNPFEDSA-N 0 3 354.495 2.097 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000173934476 672355929 /nfs/dbraw/zinc/35/59/29/672355929.db2.gz LRYBOIFQQZSSDH-VHDGCEQUSA-N 0 3 350.365 2.320 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](CO)N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000591029351 672643204 /nfs/dbraw/zinc/64/32/04/672643204.db2.gz JJOLPMQQFITPHX-XOKHGSTOSA-N 0 3 355.463 2.479 20 30 FEEDHN CC1(C)CN(CC#Cc2ccc(OC(F)(F)F)cc2)CCN1CCO ZINC000682035398 672728955 /nfs/dbraw/zinc/72/89/55/672728955.db2.gz WRUYWJAKTCDJMD-UHFFFAOYSA-N 0 3 356.388 2.325 20 30 FEEDHN CO[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C(F)(F)F ZINC000593059093 672869604 /nfs/dbraw/zinc/86/96/04/672869604.db2.gz HMCXSPYEKCNRKZ-HNNXBMFYSA-N 0 3 357.376 2.416 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@H]2C1 ZINC000593589996 672952641 /nfs/dbraw/zinc/95/26/41/672952641.db2.gz WPPPFVDUKIDWQG-LRDDRELGSA-N 0 3 362.271 2.416 20 30 FEEDHN Cc1nc(NC(=O)[C@@H](N)CCCCC#N)ccc1I ZINC000594443621 673072422 /nfs/dbraw/zinc/07/24/22/673072422.db2.gz FXYBXGPDNLRXAQ-NSHDSACASA-N 0 3 372.210 2.344 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000594425456 673070876 /nfs/dbraw/zinc/07/08/76/673070876.db2.gz JQLWLSACAQDTES-GFCCVEGCSA-N 0 3 357.241 2.459 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000594427856 673071004 /nfs/dbraw/zinc/07/10/04/673071004.db2.gz KMOMPYPSWYOMQN-INIZCTEOSA-N 0 3 362.861 2.036 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000594444837 673072730 /nfs/dbraw/zinc/07/27/30/673072730.db2.gz DFSLKYATJVXXLC-HUUCEWRRSA-N 0 3 366.824 2.112 20 30 FEEDHN CCN(CC)C(=O)CCC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594447582 673073395 /nfs/dbraw/zinc/07/33/95/673073395.db2.gz ZKGABSWLBADBHM-KRWDZBQOSA-N 0 3 350.507 2.285 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N[C@@H]2CCN(C3CCCCC3)C2)ccc1F ZINC000594854543 673164851 /nfs/dbraw/zinc/16/48/51/673164851.db2.gz PZSDQHYMGNHKEZ-CQSZACIVSA-N 0 3 351.447 2.383 20 30 FEEDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(OCC#N)cc1 ZINC000729267021 673230804 /nfs/dbraw/zinc/23/08/04/673230804.db2.gz HWALRIMPKYOPBC-AWEZNQCLSA-N 0 3 359.451 2.429 20 30 FEEDHN COC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C1CCOCC1 ZINC000595613638 673273202 /nfs/dbraw/zinc/27/32/02/673273202.db2.gz CGLSYKBLNWXMEO-HNNXBMFYSA-N 0 3 351.472 2.206 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000595948441 673343200 /nfs/dbraw/zinc/34/32/00/673343200.db2.gz KGFNMUVKVCPDFG-ZDUSSCGKSA-N 0 3 352.232 2.191 20 30 FEEDHN C[S@@](=O)c1nncn1CC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000732717933 673379434 /nfs/dbraw/zinc/37/94/34/673379434.db2.gz LSCDRYVXDLCMBK-XELLLNAOSA-N 0 3 371.447 2.015 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc2cncn21 ZINC000733938589 673444884 /nfs/dbraw/zinc/44/48/84/673444884.db2.gz XBWXZYYIHMLXJP-UHFFFAOYSA-N 0 3 353.451 2.471 20 30 FEEDHN COC[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599354570 673663005 /nfs/dbraw/zinc/66/30/05/673663005.db2.gz QJSQQUDZIDRIHY-PBHICJAKSA-N 0 3 354.397 2.313 20 30 FEEDHN COCC(=O)N[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)C ZINC000741434829 673686606 /nfs/dbraw/zinc/68/66/06/673686606.db2.gz HQJAMDCZIFWHGL-NHYWBVRUSA-N 0 3 363.414 2.399 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](O)c1cnn(C)c1 ZINC000742376607 673725762 /nfs/dbraw/zinc/72/57/62/673725762.db2.gz ZFUMQEAPYBIBGP-OAHLLOKOSA-N 0 3 364.243 2.018 20 30 FEEDHN N#CC1(C[C@H](O)CN[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000600732581 673795152 /nfs/dbraw/zinc/79/51/52/673795152.db2.gz SILCODDYMZSZEH-WFASDCNBSA-N 0 3 351.809 2.229 20 30 FEEDHN Cn1c(CNC[C@H](O)CC2(C#N)CCOCC2)nc2cccc(Cl)c21 ZINC000600734274 673795567 /nfs/dbraw/zinc/79/55/67/673795567.db2.gz HROKOFKSNOSRHD-CYBMUJFWSA-N 0 3 362.861 2.388 20 30 FEEDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000601419949 673859306 /nfs/dbraw/zinc/85/93/06/673859306.db2.gz BFQJSTDFWICIML-ZWNOBZJWSA-N 0 3 372.288 2.034 20 30 FEEDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000601419948 673859413 /nfs/dbraw/zinc/85/94/13/673859413.db2.gz BFQJSTDFWICIML-MFKMUULPSA-N 0 3 372.288 2.034 20 30 FEEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000747109648 673907347 /nfs/dbraw/zinc/90/73/47/673907347.db2.gz ZFZYJDNYUFHCTG-GFCCVEGCSA-N 0 3 358.375 2.489 20 30 FEEDHN C[C@]12CN(Cc3ccc(C#N)cc3C(F)(F)F)C[C@@]1(C)C(=O)NC2=O ZINC000602725300 673910234 /nfs/dbraw/zinc/91/02/34/673910234.db2.gz PBOYTZPWGSMJTK-IYBDPMFKSA-N 0 3 351.328 2.062 20 30 FEEDHN N#Cc1ccsc1N1CC[C@H](n2cc(CNC3CCCC3)nn2)C1=O ZINC000603195107 673918935 /nfs/dbraw/zinc/91/89/35/673918935.db2.gz RRUSEGUXVQOHQU-HNNXBMFYSA-N 0 3 356.455 2.221 20 30 FEEDHN CC[C@@H](CS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccc(C#N)cc1 ZINC000819187697 675267964 /nfs/dbraw/zinc/26/79/64/675267964.db2.gz QFCGSWDQWXEUEE-HKUYNNGSSA-N 0 3 358.463 2.434 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1SCCS1 ZINC000823411163 675551246 /nfs/dbraw/zinc/55/12/46/675551246.db2.gz JPNHAGRBGKLJHO-UHFFFAOYSA-N 0 3 364.540 2.438 20 30 FEEDHN C=CC(C)(C)CCNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000625522465 676653470 /nfs/dbraw/zinc/65/34/70/676653470.db2.gz VHTINEDYNYKBFI-UHFFFAOYSA-N 0 3 351.516 2.357 20 30 FEEDHN CNC(=O)[C@]1(C(F)(F)F)CCN(CCCOc2ccc(C#N)cc2)C1 ZINC000830675557 677054266 /nfs/dbraw/zinc/05/42/66/677054266.db2.gz YCEHKSZLIFTPEH-INIZCTEOSA-N 0 3 355.360 2.328 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCN(C)C1=O ZINC000641433128 677205966 /nfs/dbraw/zinc/20/59/66/677205966.db2.gz KLGAEFWKXPTJEV-HNNXBMFYSA-N 0 3 363.531 2.063 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC000838624341 680706700 /nfs/dbraw/zinc/70/67/00/680706700.db2.gz SJEUAZPJRSZGEF-UHFFFAOYSA-N 0 3 353.850 2.442 20 30 FEEDHN C=CCc1cc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc(OC)c1OC ZINC000659445003 678178179 /nfs/dbraw/zinc/17/81/79/678178179.db2.gz LRIXHECYOCAIOG-HUUCEWRRSA-N 0 3 351.422 2.013 20 30 FEEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@](=O)C1 ZINC000763878239 680794292 /nfs/dbraw/zinc/79/42/92/680794292.db2.gz NGLXWDSKCFBHMI-FPJCUDJDSA-N 0 3 361.492 2.173 20 30 FEEDHN CC(=O)NC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000747836812 679906822 /nfs/dbraw/zinc/90/68/22/679906822.db2.gz OBOMXWWMQSPDAA-CQSZACIVSA-N 0 3 356.451 2.073 20 30 FEEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001017133566 680070425 /nfs/dbraw/zinc/07/04/25/680070425.db2.gz SLZODWFTZGHNEV-VCBZYWHSSA-N 0 3 359.495 2.327 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)NCc2cnns2)CC1 ZINC001029101508 680386228 /nfs/dbraw/zinc/38/62/28/680386228.db2.gz HGIOXYIYHLERFT-XYPHTWIQSA-N 0 3 364.515 2.236 20 30 FEEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000755751924 680433291 /nfs/dbraw/zinc/43/32/91/680433291.db2.gz SDLWYSIUCJTSRL-OBJOEFQTSA-N 0 3 351.447 2.303 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000836221359 680437040 /nfs/dbraw/zinc/43/70/40/680437040.db2.gz AKDSJBZMTQBNKW-UHFFFAOYSA-N 0 3 357.376 2.382 20 30 FEEDHN C=C(Br)CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001034697213 680438454 /nfs/dbraw/zinc/43/84/54/680438454.db2.gz DKYRMMWKPRFVEQ-ZWFSKFMGSA-N 0 3 369.303 2.335 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2snnc2C)CC1 ZINC001034754729 680440196 /nfs/dbraw/zinc/44/01/96/680440196.db2.gz PLHWRLCHTYBVLC-JKQORVJESA-N 0 3 364.515 2.345 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(Br)c(F)c1 ZINC000836264327 680442443 /nfs/dbraw/zinc/44/24/43/680442443.db2.gz NLUVVWXJJAITLP-UHFFFAOYSA-N 0 3 356.239 2.343 20 30 FEEDHN C#CCN1CC[C@]2(CCN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C2)C1 ZINC001041376750 680506180 /nfs/dbraw/zinc/50/61/80/680506180.db2.gz VEQLYDLOLVEYFS-UXLLHSPISA-N 0 3 358.404 2.434 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043359020 680577490 /nfs/dbraw/zinc/57/74/90/680577490.db2.gz PXLHFABAJHQSCZ-WQAKAFBOSA-N 0 3 367.906 2.267 20 30 FEEDHN C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)CC2)C1 ZINC001046068778 680643558 /nfs/dbraw/zinc/64/35/58/680643558.db2.gz TUQJBKHBWKGQFL-RCCFBDPRSA-N 0 3 357.523 2.012 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000843930597 681026627 /nfs/dbraw/zinc/02/66/27/681026627.db2.gz TWZCEIFHLAIDNX-HUUCEWRRSA-N 0 3 351.491 2.140 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ccccc2Cl)C1 ZINC001051834612 681069664 /nfs/dbraw/zinc/06/96/64/681069664.db2.gz SBXNIEBLBAFMQC-JZXOWHBKSA-N 0 3 364.873 2.248 20 30 FEEDHN C=CCN1CC[C@H](N2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O ZINC000932709671 681294122 /nfs/dbraw/zinc/29/41/22/681294122.db2.gz XIGYMMBREBGZCV-XHSDSOJGSA-N 0 3 351.491 2.256 20 30 FEEDHN C=CC1(CC(=O)N(C)[C@@H]2CCCN(C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000933485826 681419816 /nfs/dbraw/zinc/41/98/16/681419816.db2.gz HWCPBIRBMJAMGY-OAHLLOKOSA-N 0 3 351.491 2.352 20 30 FEEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933753882 681463708 /nfs/dbraw/zinc/46/37/08/681463708.db2.gz AQBYBJICWDTWFK-FNFWKMNBSA-N 0 3 360.845 2.126 20 30 FEEDHN CN(C)[S@](C)(=O)=NCC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000934750430 681620855 /nfs/dbraw/zinc/62/08/55/681620855.db2.gz PDSKRPILPPRASZ-RUZDIDTESA-N 0 3 364.515 2.223 20 30 FEEDHN CC[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)N(C)C(=O)OC(C)(C)C ZINC000850768786 681958254 /nfs/dbraw/zinc/95/82/54/681958254.db2.gz XTJIBRANZSUXBZ-KBPBESRZSA-N 0 3 351.447 2.400 20 30 FEEDHN Cc1cn2c(n1)CN(CC(=O)C(C#N)c1nc3ccccc3s1)CC2 ZINC000782513833 682052728 /nfs/dbraw/zinc/05/27/28/682052728.db2.gz MGCFOUYOXJUEJD-ZDUSSCGKSA-N 0 3 351.435 2.493 20 30 FEEDHN C=C(Br)CNC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 ZINC000965230072 682187884 /nfs/dbraw/zinc/18/78/84/682187884.db2.gz MOTJYPIUXFEIBR-CEHQIQABSA-N 0 3 369.303 2.480 20 30 FEEDHN CN1C[C@]2(C)CN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C[C@]2(C)C1 ZINC000918369213 685538865 /nfs/dbraw/zinc/53/88/65/685538865.db2.gz QWBUXLUAFZJECC-KDURUIRLSA-N 0 3 361.511 2.450 20 30 FEEDHN C[C@@H]1CCCN(CC(=O)NCC#N)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000852597636 682305836 /nfs/dbraw/zinc/30/58/36/682305836.db2.gz HADNUTUPRAALIP-HUUCEWRRSA-N 0 3 352.479 2.032 20 30 FEEDHN C#CCCN(CCOC)C[C@H](O)COc1ccc(Br)cc1 ZINC000852752858 682335898 /nfs/dbraw/zinc/33/58/98/682335898.db2.gz OLUSPIANIYJGFC-HNNXBMFYSA-N 0 3 356.260 2.161 20 30 FEEDHN CC(=O)NCCCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786536305 682384279 /nfs/dbraw/zinc/38/42/79/682384279.db2.gz NJPDGHYHGWYSLV-MRXNPFEDSA-N 0 3 363.845 2.362 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C[C@H]21 ZINC000972339380 682407556 /nfs/dbraw/zinc/40/75/56/682407556.db2.gz DOIYYGQBYCRNGE-QLFBSQMISA-N 0 3 355.910 2.165 20 30 FEEDHN C=CCCS(=O)(=O)N1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856549058 682792621 /nfs/dbraw/zinc/79/26/21/682792621.db2.gz KBQKMAWVENVDGI-SFHVURJKSA-N 0 3 367.515 2.281 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC1OCCCO1 ZINC000793124344 682865730 /nfs/dbraw/zinc/86/57/30/682865730.db2.gz LCQJLGOFQRMRPB-LLVKDONJSA-N 0 3 366.801 2.458 20 30 FEEDHN C#CCN(C(=O)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CCN(C)CC1 ZINC000926295084 683105263 /nfs/dbraw/zinc/10/52/63/683105263.db2.gz YRJUHSCYWUXBMH-GJZGRUSLSA-N 0 3 361.408 2.225 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)cc1 ZINC000796648834 683181444 /nfs/dbraw/zinc/18/14/44/683181444.db2.gz FFPAFIWZPBDVDR-HIFRSBDPSA-N 0 3 350.365 2.498 20 30 FEEDHN C[C@H](CNC(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796790210 683195783 /nfs/dbraw/zinc/19/57/83/683195783.db2.gz QGCCSXBGAOKGRG-TZMCWYRMSA-N 0 3 351.447 2.305 20 30 FEEDHN C[C@@H]1[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN1C ZINC000928428055 683449144 /nfs/dbraw/zinc/44/91/44/683449144.db2.gz MCUROOAYVXOUMJ-KFWWJZLASA-N 0 3 352.479 2.172 20 30 FEEDHN N#Cc1ccc(Br)c(CNCC2(N3CCOCC3)CC2)c1 ZINC000922061244 683648942 /nfs/dbraw/zinc/64/89/42/683648942.db2.gz LXFSRUJRVAFXFE-UHFFFAOYSA-N 0 3 350.260 2.275 20 30 FEEDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000866342868 684093565 /nfs/dbraw/zinc/09/35/65/684093565.db2.gz GJFJUQSXEMVOJL-CABCVRRESA-N 0 3 352.479 2.030 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000867225297 684229166 /nfs/dbraw/zinc/22/91/66/684229166.db2.gz MTROOCNWPLPCIU-UHFFFAOYSA-N 0 3 351.447 2.194 20 30 FEEDHN CN(C)Cc1ccc(S(=O)(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000867863061 684413032 /nfs/dbraw/zinc/41/30/32/684413032.db2.gz WWMDXVRQHQUDLR-SFHVURJKSA-N 0 3 355.463 2.066 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ncc(Br)s2)CC1 ZINC000868283702 684475261 /nfs/dbraw/zinc/47/52/61/684475261.db2.gz FDWXNYVTJGWXNJ-UHFFFAOYSA-N 0 3 359.293 2.355 20 30 FEEDHN CC(C)(O)CN1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC000869778594 684654699 /nfs/dbraw/zinc/65/46/99/684654699.db2.gz FIFCCWCSRLMTMQ-NSHDSACASA-N 0 3 356.253 2.440 20 30 FEEDHN N#CC1(C[C@@H](O)CNCc2ccc(Br)cn2)CCOCC1 ZINC000872233842 684930083 /nfs/dbraw/zinc/93/00/83/684930083.db2.gz HIIDKTQJJTXWOL-CQSZACIVSA-N 0 3 354.248 2.005 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000876590435 686226029 /nfs/dbraw/zinc/22/60/29/686226029.db2.gz WVNQJZMGVRSSAR-HNNXBMFYSA-N 0 3 370.280 2.023 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000876621100 686229593 /nfs/dbraw/zinc/22/95/93/686229593.db2.gz VLVGFSBWDZMJMN-GXSJLCMTSA-N 0 3 367.660 2.319 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000876621189 686230201 /nfs/dbraw/zinc/23/02/01/686230201.db2.gz XTDZSALOXQECPT-OAHLLOKOSA-N 0 3 356.898 2.079 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000876642441 686235450 /nfs/dbraw/zinc/23/54/50/686235450.db2.gz AVQJTSOIOLGPBR-CQSZACIVSA-N 0 3 374.243 2.233 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000876726346 686254314 /nfs/dbraw/zinc/25/43/14/686254314.db2.gz DGASVQGNERWJKK-LLVKDONJSA-N 0 3 350.772 2.489 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000876749345 686259939 /nfs/dbraw/zinc/25/99/39/686259939.db2.gz JJCDUWUHVYLKHE-XJKSGUPXSA-N 0 3 364.877 2.200 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000876893614 686289201 /nfs/dbraw/zinc/28/92/01/686289201.db2.gz GQIOSKSKDIFUAE-CHWSQXEVSA-N 0 3 360.216 2.171 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000876979727 686304288 /nfs/dbraw/zinc/30/42/88/686304288.db2.gz PTNVBIPJATYGME-QWRGUYRKSA-N 0 3 357.863 2.106 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000877013122 686309681 /nfs/dbraw/zinc/30/96/81/686309681.db2.gz KHLXZZIOXDICIB-LSDHHAIUSA-N 0 3 358.269 2.131 20 30 FEEDHN NC(=O)C1(N2CCCCC2)CCN(CC#Cc2ccccc2Cl)CC1 ZINC000880252339 687022388 /nfs/dbraw/zinc/02/23/88/687022388.db2.gz GGGSPRNNWCZBAB-UHFFFAOYSA-N 0 3 359.901 2.497 20 30 FEEDHN C#CCC1(O)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000880481790 687052945 /nfs/dbraw/zinc/05/29/45/687052945.db2.gz OJYMHPGPPBCOGZ-CQSZACIVSA-N 0 3 353.447 2.323 20 30 FEEDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884061973 687781869 /nfs/dbraw/zinc/78/18/69/687781869.db2.gz ARUCBFPEABLPNT-UIORMTCPSA-N 0 3 362.817 2.346 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCCc1nc3c(s1)CCCC3)C2 ZINC000884122783 687794594 /nfs/dbraw/zinc/79/45/94/687794594.db2.gz ZFSMCZJAFIOZCA-SHYRYGCCSA-N 0 3 358.511 2.210 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(N3CCSCC3)cc1)C2 ZINC000884223287 687822624 /nfs/dbraw/zinc/82/26/24/687822624.db2.gz MYLKWWHWUJJJLS-XAUUPUKJSA-N 0 3 356.495 2.318 20 30 FEEDHN C#CCN(C(=O)c1nc(Br)ccc1F)C1CCN(C)CC1 ZINC000886577836 688278937 /nfs/dbraw/zinc/27/89/37/688278937.db2.gz YZIWVSKOTUGDBL-UHFFFAOYSA-N 0 3 354.223 2.153 20 30 FEEDHN C#CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886580952 688279668 /nfs/dbraw/zinc/27/96/68/688279668.db2.gz DOYUGTHVSTXJAH-UHFFFAOYSA-N 0 3 351.491 2.236 20 30 FEEDHN C#CCC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000887124543 688369993 /nfs/dbraw/zinc/36/99/93/688369993.db2.gz IVMSXTFESXIALX-UHFFFAOYSA-N 0 3 351.790 2.349 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC[C@@H]2C[C@@H]2CCCO2)CC1 ZINC000892850301 689253139 /nfs/dbraw/zinc/25/31/39/689253139.db2.gz GKMGNKFKHDGXAP-ROUUACIJSA-N 0 3 351.491 2.006 20 30 FEEDHN C[C@H]1[C@H](NC(=O)NCc2nc(C#N)cs2)CCN1Cc1ccccc1 ZINC000894884961 689613877 /nfs/dbraw/zinc/61/38/77/689613877.db2.gz MSMNOAVGUAZKAU-XJKSGUPXSA-N 0 3 355.467 2.477 20 30 FEEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)nn1 ZINC000895005776 689638868 /nfs/dbraw/zinc/63/88/68/689638868.db2.gz HSJDOFNEEDWEJX-MRVWCRGKSA-N 0 3 360.380 2.464 20 30 FEEDHN C#CCN(C(=S)NCCCN(C)c1ccccc1)C1CCN(C)CC1 ZINC000899613853 690390094 /nfs/dbraw/zinc/39/00/94/690390094.db2.gz QZCCGURSLJAOPX-UHFFFAOYSA-N 0 3 358.555 2.417 20 30 FEEDHN CC[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000902886651 690817306 /nfs/dbraw/zinc/81/73/06/690817306.db2.gz QSJBGLUFXXIONG-CVEARBPZSA-N 0 3 364.492 2.495 20 30 FEEDHN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(CC(C)C)CC1 ZINC001164657236 719337337 /nfs/dbraw/zinc/33/73/37/719337337.db2.gz DYJHRNBYBIKOAW-OAHLLOKOSA-N 0 3 367.453 2.188 20 30 FEEDHN Cc1nc(N2CCc3ncc(CN4CCCC4)n3CC2)ccc1CC#N ZINC001164736958 720587165 /nfs/dbraw/zinc/58/71/65/720587165.db2.gz WRKKWQWWDFTTPP-UHFFFAOYSA-N 0 3 350.470 2.311 20 30 FEEDHN N#Cc1ccc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164741599 720675519 /nfs/dbraw/zinc/67/55/19/720675519.db2.gz UHRUFVVHCAJLGU-ZWKOTPCHSA-N 0 3 372.432 2.238 20 30 FEEDHN Cc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(C#N)n1 ZINC001164903347 721539324 /nfs/dbraw/zinc/53/93/24/721539324.db2.gz CDFBZGAKXSZZTQ-RDJZCZTQSA-N 0 3 353.401 2.138 20 30 FEEDHN N#CC(C(=O)COc1ccsc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000800387243 674047766 /nfs/dbraw/zinc/04/77/66/674047766.db2.gz QMRAQOXNBKWTOC-CYBMUJFWSA-N 0 3 358.375 2.246 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C(C)C ZINC000041856053 540036766 /nfs/dbraw/zinc/03/67/66/540036766.db2.gz FGLZXYUQZAGQLW-SFHVURJKSA-N 0 3 354.454 2.312 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCCC(=O)NC(C)C ZINC000042225195 540055527 /nfs/dbraw/zinc/05/55/27/540055527.db2.gz LSQOIGPEFXMEPE-UHFFFAOYSA-N 0 3 353.260 2.465 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000047010745 540284574 /nfs/dbraw/zinc/28/45/74/540284574.db2.gz DUHILTZMWGADDV-UHFFFAOYSA-N 0 3 351.406 2.491 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000050028977 540397316 /nfs/dbraw/zinc/39/73/16/540397316.db2.gz SYKNJOWGOAHPLO-SFHVURJKSA-N 0 3 355.438 2.088 20 30 FEEDHN Cc1nnc(NCc2ccc(CN3CCN(C)CC3)cc2)c(C#N)c1C ZINC000052211652 540459152 /nfs/dbraw/zinc/45/91/52/540459152.db2.gz WZBZGBUQDCOBBK-UHFFFAOYSA-N 0 3 350.470 2.325 20 30 FEEDHN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000535545051 540482180 /nfs/dbraw/zinc/48/21/80/540482180.db2.gz CAASBYZJQGKMRY-NYTXWWLZSA-N 0 3 360.506 2.057 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)c3cccc(CC#N)c3)cc2)CC1 ZINC000053237941 540519766 /nfs/dbraw/zinc/51/97/66/540519766.db2.gz LSLUXLLLRXXLDV-UHFFFAOYSA-N 0 3 362.477 2.430 20 30 FEEDHN CC[NH+]1CCC(N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)CC1 ZINC000057371308 540791987 /nfs/dbraw/zinc/79/19/87/540791987.db2.gz GFLVCDKDGYHIHT-UHFFFAOYSA-N 0 3 370.497 2.271 20 30 FEEDHN C=C(C)COc1cc(CN[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1OC ZINC000057969576 540825453 /nfs/dbraw/zinc/82/54/53/540825453.db2.gz FZXRFUSMAIQROB-MRXNPFEDSA-N 0 3 368.499 2.164 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)NCCCN2CCN(C)CC2)cc1OC ZINC000061524481 541131680 /nfs/dbraw/zinc/13/16/80/541131680.db2.gz CGEZYOQDKWCSJR-VQHVLOKHSA-N 0 3 373.497 2.027 20 30 FEEDHN COc1cccc(OC)c1OC[C@@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000063495076 541170490 /nfs/dbraw/zinc/17/04/90/541170490.db2.gz LRLFDQFUWCQDTF-KRWDZBQOSA-N 0 3 356.422 2.447 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1nncs1 ZINC000065930218 541272545 /nfs/dbraw/zinc/27/25/45/541272545.db2.gz RTCNJSLFQZZHBF-UHFFFAOYSA-N 0 3 361.496 2.092 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccccc1 ZINC000065930776 541273065 /nfs/dbraw/zinc/27/30/65/541273065.db2.gz ZIWTXLKSAXBUEQ-UHFFFAOYSA-N 0 3 350.422 2.087 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCCC2)c1 ZINC000067375398 541451994 /nfs/dbraw/zinc/45/19/94/541451994.db2.gz KJRWSMINKIFYRE-SFHVURJKSA-N 0 3 359.470 2.427 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000067398049 541457325 /nfs/dbraw/zinc/45/73/25/541457325.db2.gz VRBBBTPSUOOSLS-CHWSQXEVSA-N 0 3 362.861 2.387 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000068223418 541565886 /nfs/dbraw/zinc/56/58/86/541565886.db2.gz PFVSODCWNGJKHO-KRWDZBQOSA-N 0 3 370.501 2.243 20 30 FEEDHN C[C@H](OC[C@@H]1CCCO1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310014 541574972 /nfs/dbraw/zinc/57/49/72/541574972.db2.gz QXROYUIHPHGCTN-LPHOPBHVSA-N 0 3 359.470 2.033 20 30 FEEDHN C#CCN1CCC(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC1 ZINC000068312308 541575404 /nfs/dbraw/zinc/57/54/04/541575404.db2.gz OUGHPLMVWFRFIT-UHFFFAOYSA-N 0 3 363.452 2.200 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](CN2CCOCC2)C1 ZINC000070011400 541730308 /nfs/dbraw/zinc/73/03/08/541730308.db2.gz NPPCDYAULFLIFR-TZIWHRDSSA-N 0 3 374.525 2.199 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cncnc2)cc1 ZINC000073411563 541950596 /nfs/dbraw/zinc/95/05/96/541950596.db2.gz UNZAIWIXNGAFAR-KGLIPLIRSA-N 0 3 353.426 2.195 20 30 FEEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000073793662 542000485 /nfs/dbraw/zinc/00/04/85/542000485.db2.gz RXUXQTOIEYJKEH-LJQANCHMSA-N 0 3 366.465 2.409 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000080172450 542571240 /nfs/dbraw/zinc/57/12/40/542571240.db2.gz XSKOALFLWLKNOC-MRXNPFEDSA-N 0 3 372.469 2.298 20 30 FEEDHN C=CCN1CCC(Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000080601202 542596260 /nfs/dbraw/zinc/59/62/60/542596260.db2.gz PASXFIWFOOALGT-UHFFFAOYSA-N 0 3 363.405 2.415 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(N3CCCNC3=O)c2)CC1 ZINC000081412244 542655485 /nfs/dbraw/zinc/65/54/85/542655485.db2.gz TUOOCSDWRZQHRV-UHFFFAOYSA-N 0 3 356.470 2.377 20 30 FEEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](O)CN1CCOCC1 ZINC000083245809 542696628 /nfs/dbraw/zinc/69/66/28/542696628.db2.gz HUSQJBOLKLRRCQ-OAQYLSRUSA-N 0 3 365.477 2.350 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000088775618 542756563 /nfs/dbraw/zinc/75/65/63/542756563.db2.gz HRLVMPLZNZSFIC-CQSZACIVSA-N 0 3 360.845 2.237 20 30 FEEDHN CCc1ccccc1NC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089943419 542776191 /nfs/dbraw/zinc/77/61/91/542776191.db2.gz GZRXDVKHXMIEHY-ZDUSSCGKSA-N 0 3 354.458 2.318 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cccnc1Cl)C(C)C ZINC000091194440 542797678 /nfs/dbraw/zinc/79/76/78/542797678.db2.gz UKGNJVNHOVDEQM-OAHLLOKOSA-N 0 3 364.877 2.488 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000091771164 542825139 /nfs/dbraw/zinc/82/51/39/542825139.db2.gz NVNNTUVKNKMKTK-PKOBYXMFSA-N 0 3 373.884 2.073 20 30 FEEDHN C=CCOc1ccc(CN2CCC(C(=O)NCC(=O)OCC)CC2)cc1 ZINC000092064503 542842296 /nfs/dbraw/zinc/84/22/96/542842296.db2.gz QKMDQLCQYVHLAW-UHFFFAOYSA-N 0 3 360.454 2.143 20 30 FEEDHN COc1cc(N[C@@H]2CCCN(CCC(=O)N(C)CCC#N)C2)cc(OC)c1 ZINC000092806000 542887790 /nfs/dbraw/zinc/88/77/90/542887790.db2.gz KKHSDXXBXAENAA-MRXNPFEDSA-N 0 3 374.485 2.342 20 30 FEEDHN CCN1CCN([C@@H]2CCN(Cc3ccc(N(C)CCC#N)cc3)C2)CC1 ZINC000093133172 542911395 /nfs/dbraw/zinc/91/13/95/542911395.db2.gz GZBLVIURDMLAQO-OAQYLSRUSA-N 0 3 355.530 2.248 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000103163906 543095912 /nfs/dbraw/zinc/09/59/12/543095912.db2.gz UVYIBJAHZFQTTN-IBGZPJMESA-N 0 3 369.490 2.401 20 30 FEEDHN COC(=O)[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000103481570 543111306 /nfs/dbraw/zinc/11/13/06/543111306.db2.gz HDVINMDHCCITQE-GFCCVEGCSA-N 0 3 361.467 2.322 20 30 FEEDHN Cc1nc(C(=O)N(C)C)ccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000103796061 543117049 /nfs/dbraw/zinc/11/70/49/543117049.db2.gz UOUMLONJIHVEBO-CQSZACIVSA-N 0 3 361.405 2.469 20 30 FEEDHN N#Cc1ccccc1CON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000104054303 543121185 /nfs/dbraw/zinc/12/11/85/543121185.db2.gz HHJANVHFPKHOBL-UHFFFAOYSA-N 0 3 364.449 2.352 20 30 FEEDHN C=CCN(CC(=O)NC1CCN(C2CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000104679267 543137927 /nfs/dbraw/zinc/13/79/27/543137927.db2.gz AHACISFRBBAWGN-UHFFFAOYSA-N 0 3 372.469 2.326 20 30 FEEDHN N#CC1CCN(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000105283799 543169107 /nfs/dbraw/zinc/16/91/07/543169107.db2.gz MNMUCGISOMIRHL-UHFFFAOYSA-N 0 3 356.470 2.088 20 30 FEEDHN CC1CCN([C@H](CNC(=O)N2CCO[C@H](C#N)C2)c2ccccc2)CC1 ZINC000106334403 543224284 /nfs/dbraw/zinc/22/42/84/543224284.db2.gz OHLITNYIWHTRMY-RTBURBONSA-N 0 3 356.470 2.394 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1cccc(OC)c1 ZINC000106329733 543223415 /nfs/dbraw/zinc/22/34/15/543223415.db2.gz CCYFWCDDUFAOTJ-ROUUACIJSA-N 0 3 360.458 2.012 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(CCO)Cc2ccccc2OC)CC1 ZINC000106340994 543224879 /nfs/dbraw/zinc/22/48/79/543224879.db2.gz UHDYCZOSODUQNA-UHFFFAOYSA-N 0 3 361.486 2.240 20 30 FEEDHN COc1ccc(CN2CCC(CNC(=O)C3(C#N)CCOCC3)CC2)cc1 ZINC000109142271 543315779 /nfs/dbraw/zinc/31/57/79/543315779.db2.gz RWXTUJIATWIKAN-UHFFFAOYSA-N 0 3 371.481 2.344 20 30 FEEDHN C[C@H](Nc1ccc(CCN2CCSCC2)cc1)C(=O)N(C)CCC#N ZINC000112537948 543450968 /nfs/dbraw/zinc/45/09/68/543450968.db2.gz IDPAMULRNVJAJQ-INIZCTEOSA-N 0 3 360.527 2.450 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000112636568 543455028 /nfs/dbraw/zinc/45/50/28/543455028.db2.gz OEUWDKCKGKRIJO-AZUAARDMSA-N 0 3 355.482 2.363 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114598321 543525043 /nfs/dbraw/zinc/52/50/43/543525043.db2.gz VHSHDGAJDJGPGB-WOJBJXKFSA-N 0 3 369.513 2.280 20 30 FEEDHN Cc1cc(CN(C)CCOc2ccc(S(N)(=O)=O)cc2)ccc1C#N ZINC000552072341 674185821 /nfs/dbraw/zinc/18/58/21/674185821.db2.gz DFJVGNQFSMZXBT-UHFFFAOYSA-N 0 3 359.451 2.025 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCN(c2cccnn2)CC1 ZINC000118005618 543642955 /nfs/dbraw/zinc/64/29/55/543642955.db2.gz NSDIPLNEADUJAN-LJQANCHMSA-N 0 3 368.481 2.157 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCCN(c2cccnn2)CC1 ZINC000118005620 543643096 /nfs/dbraw/zinc/64/30/96/543643096.db2.gz NSDIPLNEADUJAN-IBGZPJMESA-N 0 3 368.481 2.157 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000118096419 543644384 /nfs/dbraw/zinc/64/43/84/543644384.db2.gz HZKDGDJXPYYSOH-AWEZNQCLSA-N 0 3 360.483 2.231 20 30 FEEDHN CCN(CC)CCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000118094825 543644691 /nfs/dbraw/zinc/64/46/91/543644691.db2.gz JDALDDHXRGMMEB-AWEZNQCLSA-N 0 3 362.499 2.477 20 30 FEEDHN N#Cc1ccc2ncc(CNCCCS(=O)(=O)Cc3ccccc3)n2c1 ZINC000123388579 543758961 /nfs/dbraw/zinc/75/89/61/543758961.db2.gz KEAGGYRXXQJCQO-UHFFFAOYSA-N 0 3 368.462 2.301 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000124227246 543808499 /nfs/dbraw/zinc/80/84/99/543808499.db2.gz YECUCTAUPRLXFQ-OAHLLOKOSA-N 0 3 374.510 2.431 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)CC1 ZINC000124849891 543846618 /nfs/dbraw/zinc/84/66/18/543846618.db2.gz FWPPASFJQLDHIC-UHFFFAOYSA-N 0 3 353.466 2.481 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CN1C1CC1 ZINC000127555925 544000331 /nfs/dbraw/zinc/00/03/31/544000331.db2.gz RYAOOKPUEPAEAE-HUUCEWRRSA-N 0 3 371.460 2.154 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000130673142 544160535 /nfs/dbraw/zinc/16/05/35/544160535.db2.gz SRRUXGAPDFVRFG-NJAFHUGGSA-N 0 3 356.470 2.264 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2cc(-c3ccccc3F)on2)c1C#N ZINC000133706387 544280258 /nfs/dbraw/zinc/28/02/58/544280258.db2.gz DUFIGSDHHHDTJM-UHFFFAOYSA-N 0 3 368.372 2.480 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000135368009 544343928 /nfs/dbraw/zinc/34/39/28/544343928.db2.gz VNUDLMKMGQLMDR-UHFFFAOYSA-N 0 3 366.469 2.164 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)CC1 ZINC000136387180 544372547 /nfs/dbraw/zinc/37/25/47/544372547.db2.gz YNGMKOFBFDFSNK-UHFFFAOYSA-N 0 3 356.470 2.477 20 30 FEEDHN C[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)CN1Cc1ccccc1 ZINC000152001629 544605250 /nfs/dbraw/zinc/60/52/50/544605250.db2.gz PJPRNBVXXODUSS-RDJZCZTQSA-N 0 3 370.478 2.142 20 30 FEEDHN C[C@@H](O)C[C@@H]1CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153162169 544740723 /nfs/dbraw/zinc/74/07/23/544740723.db2.gz WYXOMQLPXNFCQI-PBHICJAKSA-N 0 3 368.399 2.408 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(OCCCO)CC2)cc1Cl ZINC000155083912 544986834 /nfs/dbraw/zinc/98/68/34/544986834.db2.gz NVJMROAAYRSAQD-UHFFFAOYSA-N 0 3 365.861 2.404 20 30 FEEDHN COc1ccc(O)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000189013583 328123500 /nfs/dbraw/zinc/12/35/00/328123500.db2.gz PPYHISNIBKNPSL-UHFFFAOYSA-N 0 3 353.422 2.476 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C1CCCCC1)N(C)C ZINC000191884622 328286874 /nfs/dbraw/zinc/28/68/74/328286874.db2.gz YMJAJNDGSVEUEH-MRXNPFEDSA-N 0 3 365.499 2.356 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N(C)C ZINC000192546352 328324983 /nfs/dbraw/zinc/32/49/83/328324983.db2.gz IQAOGISJSXJIES-OAHLLOKOSA-N 0 3 361.490 2.146 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192752359 328337367 /nfs/dbraw/zinc/33/73/67/328337367.db2.gz ZCLOGPYCKKKTMX-LSDHHAIUSA-N 0 3 373.501 2.290 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192939948 328348145 /nfs/dbraw/zinc/34/81/45/328348145.db2.gz YRIBOEXGUACGCX-INIZCTEOSA-N 0 3 373.501 2.434 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192972590 328349885 /nfs/dbraw/zinc/34/98/85/328349885.db2.gz FHLUODKCQYTSNI-HNNXBMFYSA-N 0 3 359.474 2.044 20 30 FEEDHN CN(C)Cc1cccc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000193580206 328383150 /nfs/dbraw/zinc/38/31/50/328383150.db2.gz PQAMETMKYLEQBK-UHFFFAOYSA-N 0 3 350.422 2.217 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)N(C)C ZINC000088768138 325300435 /nfs/dbraw/zinc/30/04/35/325300435.db2.gz SNBCHGLHCNGMKZ-ZDUSSCGKSA-N 0 3 350.850 2.243 20 30 FEEDHN CCCC[C@@H](C(=O)Nc1cc(C)on1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089943451 325343559 /nfs/dbraw/zinc/34/35/59/325343559.db2.gz VQZWPWMJOWXKDS-HNNXBMFYSA-N 0 3 373.461 2.222 20 30 FEEDHN CN1CCN([C@H]2CCCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000091688253 325389988 /nfs/dbraw/zinc/38/99/88/325389988.db2.gz OSWSHLFMAZVFFA-IBDYFIJFSA-N 0 3 352.482 2.200 20 30 FEEDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112549557 325789393 /nfs/dbraw/zinc/78/93/93/325789393.db2.gz DQZMBXWTCNJGEX-IINYFYTJSA-N 0 3 358.833 2.043 20 30 FEEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000120432681 326258278 /nfs/dbraw/zinc/25/82/78/326258278.db2.gz FDZATUWSABGOFQ-CYBMUJFWSA-N 0 3 353.875 2.318 20 30 FEEDHN CCCN1CCC(N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000120797926 326288741 /nfs/dbraw/zinc/28/87/41/326288741.db2.gz PEPBPGJNMVMYQU-UHFFFAOYSA-N 0 3 353.463 2.333 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120984785 326304283 /nfs/dbraw/zinc/30/42/83/326304283.db2.gz KKKKSUAAVROHPU-QLFBSQMISA-N 0 3 367.490 2.483 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(OC[C@H]2CCOC2)CC1 ZINC000132126455 326587461 /nfs/dbraw/zinc/58/74/61/326587461.db2.gz QEQVKPGDKIUURS-AWEZNQCLSA-N 0 3 363.483 2.466 20 30 FEEDHN C[C@@](CO)(NCCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000156781928 326843638 /nfs/dbraw/zinc/84/36/38/326843638.db2.gz VYEFISNXSLPSPQ-SFHVURJKSA-N 0 3 350.484 2.253 20 30 FEEDHN N#Cc1c(NC(=O)CCN2CCC[C@@H](CC(N)=O)C2)sc2c1CCCC2 ZINC000175254317 327382525 /nfs/dbraw/zinc/38/25/25/327382525.db2.gz MRAJXTNUORZECN-ZDUSSCGKSA-N 0 3 374.510 2.415 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000176267193 327444905 /nfs/dbraw/zinc/44/49/05/327444905.db2.gz BKYMWJRNPKEAEI-SFHVURJKSA-N 0 3 361.511 2.140 20 30 FEEDHN CCO[C@@H]1C[C@](CO)(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000248757441 328739251 /nfs/dbraw/zinc/73/92/51/328739251.db2.gz PXCANAUQYJCAET-WAOWUJCRSA-N 0 3 371.481 2.209 20 30 FEEDHN C[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000265572716 329139940 /nfs/dbraw/zinc/13/99/40/329139940.db2.gz XEYIIIDMSNHCCK-INIZCTEOSA-N 0 3 356.470 2.373 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000267289188 329310843 /nfs/dbraw/zinc/31/08/43/329310843.db2.gz QWOBMMPFGCJPNF-DNVCBOLYSA-N 0 3 370.478 2.142 20 30 FEEDHN CS(=O)(=O)c1ccc([C@H](O)CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000271802405 329726598 /nfs/dbraw/zinc/72/65/98/329726598.db2.gz PGCGLMWNXYACAW-GOSISDBHSA-N 0 3 356.447 2.274 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000367110190 330217942 /nfs/dbraw/zinc/21/79/42/330217942.db2.gz WOUCEJNXAIXUTH-NQIIRXRSSA-N 0 3 352.434 2.112 20 30 FEEDHN N#Cc1cccc(OCCCN2CCC(c3ccnn3CCO)CC2)c1 ZINC000155968941 545587987 /nfs/dbraw/zinc/58/79/87/545587987.db2.gz ALRFVWLFDCNHNO-UHFFFAOYSA-N 0 3 354.454 2.396 20 30 FEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)COc1ccccc1C#N ZINC000157287520 545723149 /nfs/dbraw/zinc/72/31/49/545723149.db2.gz WGPCRZABZSWVFL-UHFFFAOYSA-N 0 3 353.422 2.233 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000478063617 561159402 /nfs/dbraw/zinc/15/94/02/561159402.db2.gz PCKNRSSPBOPCBG-AWEZNQCLSA-N 0 3 354.410 2.300 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000478478215 561167968 /nfs/dbraw/zinc/16/79/68/561167968.db2.gz DNEJIHOWDKPBHE-HNNXBMFYSA-N 0 3 366.421 2.078 20 30 FEEDHN CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)N(C)CCC#N ZINC000160017720 546001296 /nfs/dbraw/zinc/00/12/96/546001296.db2.gz OIINVBMOKYHQDE-QGZVFWFLSA-N 0 3 357.502 2.380 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cc1C#N ZINC000160187242 546016053 /nfs/dbraw/zinc/01/60/53/546016053.db2.gz UQCMJRZCRCZOTJ-HNNXBMFYSA-N 0 3 372.469 2.275 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000171719019 546220546 /nfs/dbraw/zinc/22/05/46/546220546.db2.gz NIRNCRDWKQIIMX-IBGZPJMESA-N 0 3 369.509 2.234 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000171721468 546221421 /nfs/dbraw/zinc/22/14/21/546221421.db2.gz QSXNVMMEKOPHMK-IYBDPMFKSA-N 0 3 358.486 2.075 20 30 FEEDHN C=CCN1CCC(NC(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000171738787 546223616 /nfs/dbraw/zinc/22/36/16/546223616.db2.gz MMBJGBHNNYDRET-UHFFFAOYSA-N 0 3 369.469 2.105 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000171944061 546230572 /nfs/dbraw/zinc/23/05/72/546230572.db2.gz HOOYJEMMRBGDDG-SFHVURJKSA-N 0 3 374.460 2.223 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000173160762 546275155 /nfs/dbraw/zinc/27/51/55/546275155.db2.gz ICQVTHDZRVXRCW-FQEVSTJZSA-N 0 3 357.498 2.044 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000174842521 546304529 /nfs/dbraw/zinc/30/45/29/546304529.db2.gz LTJSFUYFPPHKMQ-GOSISDBHSA-N 0 3 374.529 2.324 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000176024212 546392531 /nfs/dbraw/zinc/39/25/31/546392531.db2.gz ANKIYDUAXHIQRQ-MRXNPFEDSA-N 0 3 360.527 2.306 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000176586323 546465449 /nfs/dbraw/zinc/46/54/49/546465449.db2.gz IDDHMEPRQQNCIB-QGZVFWFLSA-N 0 3 358.486 2.224 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)CC1 ZINC000177488544 546630142 /nfs/dbraw/zinc/63/01/42/546630142.db2.gz FEBXOUPITUAKSH-UHFFFAOYSA-N 0 3 373.501 2.009 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCNc2ccccn2)cc1 ZINC000481010926 561222858 /nfs/dbraw/zinc/22/28/58/561222858.db2.gz JYCZUAXMCKWKAA-ZDUSSCGKSA-N 0 3 373.438 2.001 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c(F)c1 ZINC000481033693 561223548 /nfs/dbraw/zinc/22/35/48/561223548.db2.gz HPLSPSYRWVLGCI-INIZCTEOSA-N 0 3 365.474 2.335 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000178450437 546795866 /nfs/dbraw/zinc/79/58/66/546795866.db2.gz NOBDQAGVHCZVDC-ZNMIVQPWSA-N 0 3 356.470 2.288 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3cccc(OC)c3)C2)CC1 ZINC000178774896 546848128 /nfs/dbraw/zinc/84/81/28/546848128.db2.gz MUURKWKIDLFIAN-LJQANCHMSA-N 0 3 359.470 2.429 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000179229304 546917507 /nfs/dbraw/zinc/91/75/07/546917507.db2.gz OVQIKHXREQYJJO-UHFFFAOYSA-N 0 3 355.398 2.161 20 30 FEEDHN C#CCCOc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000179690365 546998650 /nfs/dbraw/zinc/99/86/50/546998650.db2.gz ZMUJQBWWXQZFLB-UHFFFAOYSA-N 0 3 356.466 2.160 20 30 FEEDHN CCc1ccccc1NC(=O)C[C@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000180868964 547199502 /nfs/dbraw/zinc/19/95/02/547199502.db2.gz HSZBMNVFYPATQB-SXZOAGKDSA-N 0 3 370.453 2.082 20 30 FEEDHN N#Cc1cc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c[nH]1 ZINC000181229620 547274978 /nfs/dbraw/zinc/27/49/78/547274978.db2.gz JFMOSHUQUXIJRG-UHFFFAOYSA-N 0 3 351.454 2.219 20 30 FEEDHN CNC(=O)C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000483404870 561276334 /nfs/dbraw/zinc/27/63/34/561276334.db2.gz KCVDKHILALDBDC-SFHVURJKSA-N 0 3 350.422 2.354 20 30 FEEDHN CNC(=O)C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000483427583 561276881 /nfs/dbraw/zinc/27/68/81/561276881.db2.gz SEEKCXCXNGOSES-HNNXBMFYSA-N 0 3 356.451 2.415 20 30 FEEDHN CC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCO1 ZINC000182355571 547478484 /nfs/dbraw/zinc/47/84/84/547478484.db2.gz MOAGXIFEOUIKKY-DLBZAZTESA-N 0 3 353.426 2.230 20 30 FEEDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000182372798 547481387 /nfs/dbraw/zinc/48/13/87/547481387.db2.gz TVZKXAUHVIGVIV-FQEVSTJZSA-N 0 3 353.422 2.393 20 30 FEEDHN C=CCSCCNC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000182618052 547522612 /nfs/dbraw/zinc/52/26/12/547522612.db2.gz NNDCZVAGZCGCQG-SFHVURJKSA-N 0 3 363.527 2.362 20 30 FEEDHN C=CC1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000182776562 547551277 /nfs/dbraw/zinc/55/12/77/547551277.db2.gz BEWPDUXLVPZDNS-KRWDZBQOSA-N 0 3 358.511 2.355 20 30 FEEDHN N#Cc1cccc(NC(=O)CN2CCC(CCCN3CCOCC3)CC2)c1 ZINC000182972761 547581240 /nfs/dbraw/zinc/58/12/40/547581240.db2.gz NKZARTNIGARLTF-UHFFFAOYSA-N 0 3 370.497 2.321 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNc2cc(C#N)ccc2[N+](=O)[O-])c1 ZINC000183791945 547720263 /nfs/dbraw/zinc/72/02/63/547720263.db2.gz IIMRYURILFZPLD-UHFFFAOYSA-N 0 3 367.409 2.370 20 30 FEEDHN CC#CCCCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000183826332 547725638 /nfs/dbraw/zinc/72/56/38/547725638.db2.gz FRHSXQQMYFLHFD-UHFFFAOYSA-N 0 3 355.482 2.322 20 30 FEEDHN COc1ccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)cc1C#N ZINC000185854777 548045548 /nfs/dbraw/zinc/04/55/48/548045548.db2.gz YAPABBRIMNLAKF-UHFFFAOYSA-N 0 3 371.462 2.397 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000186128508 548088351 /nfs/dbraw/zinc/08/83/51/548088351.db2.gz WGSHBGIWGCVFKW-LJQANCHMSA-N 0 3 358.530 2.453 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)c1 ZINC000189370950 548301477 /nfs/dbraw/zinc/30/14/77/548301477.db2.gz NSEGTPINGCXWHJ-UHFFFAOYSA-N 0 3 353.422 2.098 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@](C)(C(=O)OCC)c2ccccc2)CC1 ZINC000189687503 548308295 /nfs/dbraw/zinc/30/82/95/548308295.db2.gz LJLBKSGTHHDYPT-NRFANRHFSA-N 0 3 373.497 2.457 20 30 FEEDHN CN1CCc2cc(CN[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 ZINC000192244089 548361749 /nfs/dbraw/zinc/36/17/49/548361749.db2.gz VPODFTQELDYSEH-HXUWFJFHSA-N 0 3 360.461 2.441 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2sc(CCC)nc2C)CC1 ZINC000486399861 561346330 /nfs/dbraw/zinc/34/63/30/561346330.db2.gz DISITQGNLAHRHY-UHFFFAOYSA-N 0 3 350.488 2.109 20 30 FEEDHN CC[C@@H]1CN(CCNCc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000487172123 561365445 /nfs/dbraw/zinc/36/54/45/561365445.db2.gz RSESFVFNACQNMO-LJQANCHMSA-N 0 3 353.470 2.159 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)C(C)C)nc1C ZINC000236807113 548780159 /nfs/dbraw/zinc/78/01/59/548780159.db2.gz BPFWBVKHLRKZTB-VIFPVBQESA-N 0 3 352.489 2.107 20 30 FEEDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247150856 549291565 /nfs/dbraw/zinc/29/15/65/549291565.db2.gz YNMKKMVGSXCYPG-QZTJIDSGSA-N 0 3 373.497 2.172 20 30 FEEDHN C=CCCCS(=O)(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000489114825 561403825 /nfs/dbraw/zinc/40/38/25/561403825.db2.gz JMEKPUOHYNVCOX-UHFFFAOYSA-N 0 3 365.543 2.210 20 30 FEEDHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489664453 561416474 /nfs/dbraw/zinc/41/64/74/561416474.db2.gz GLRUFOLZAJKMBT-HNNXBMFYSA-N 0 3 353.463 2.486 20 30 FEEDHN C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000249396057 549587829 /nfs/dbraw/zinc/58/78/29/549587829.db2.gz SWCFNCQDXMKXKF-XKQJLSEDSA-N 0 3 360.433 2.095 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000249552782 549604400 /nfs/dbraw/zinc/60/44/00/549604400.db2.gz IPHANNYXEZEVEJ-UGKGYDQZSA-N 0 3 373.541 2.368 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000250230379 549640681 /nfs/dbraw/zinc/64/06/81/549640681.db2.gz IZFADYPCIWRGJU-JKSUJKDBSA-N 0 3 359.470 2.427 20 30 FEEDHN C=CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000253232695 549680492 /nfs/dbraw/zinc/68/04/92/549680492.db2.gz GCDFETAMMBYGRK-MOPGFXCFSA-N 0 3 355.482 2.111 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1CCC(NC(C)=O)CC1)C(C)C ZINC000263779337 549935556 /nfs/dbraw/zinc/93/55/56/549935556.db2.gz VXMYINNWYHXOCN-CTWPCTMYSA-N 0 3 364.534 2.432 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000264408121 549995498 /nfs/dbraw/zinc/99/54/98/549995498.db2.gz QKDSVLMXUFVEPA-KRWDZBQOSA-N 0 3 363.477 2.316 20 30 FEEDHN C#CCOc1cccc(NC(=O)N2CCC(CN3CCN(C)CC3)CC2)c1 ZINC000264572564 549998543 /nfs/dbraw/zinc/99/85/43/549998543.db2.gz VRZCZVKJRNYUKL-UHFFFAOYSA-N 0 3 370.497 2.190 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](COCCOC)C1)C(C)C ZINC000266650834 550022476 /nfs/dbraw/zinc/02/24/76/550022476.db2.gz HAPNEMDCFZCNOT-RTBURBONSA-N 0 3 367.534 2.380 20 30 FEEDHN COC(=O)C(C)(C)CN[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000268341945 550052358 /nfs/dbraw/zinc/05/23/58/550052358.db2.gz PHSOLQAYHFFJBL-CQSZACIVSA-N 0 3 361.442 2.119 20 30 FEEDHN CCOc1ccnc(N2CCCN(Cc3ccc(OCC#N)cc3)CC2)n1 ZINC000268995142 550141879 /nfs/dbraw/zinc/14/18/79/550141879.db2.gz XIAXNTVKEFCRQZ-UHFFFAOYSA-N 0 3 367.453 2.490 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)N1CCC[C@H](C)C1 ZINC000269108974 550156368 /nfs/dbraw/zinc/15/63/68/550156368.db2.gz PWEIKSVJHHOPDE-STQMWFEESA-N 0 3 362.861 2.387 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270242524 550255633 /nfs/dbraw/zinc/25/56/33/550255633.db2.gz PHBSINKBTQBOQJ-KRWDZBQOSA-N 0 3 370.497 2.399 20 30 FEEDHN C#CCCN1CCN(C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000272004602 550415900 /nfs/dbraw/zinc/41/59/00/550415900.db2.gz INOWDCXHOLROAN-VQIMIIECSA-N 0 3 350.890 2.419 20 30 FEEDHN COc1cc(/C=C/C(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1OCC#N ZINC000272657941 550463458 /nfs/dbraw/zinc/46/34/58/550463458.db2.gz GHYPSRRDNSIMMC-ZKKXHLJNSA-N 0 3 355.438 2.377 20 30 FEEDHN CN(C)C1(C#N)CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000275009370 550570141 /nfs/dbraw/zinc/57/01/41/550570141.db2.gz DWZXJZWESUEBGL-QZTJIDSGSA-N 0 3 355.486 2.061 20 30 FEEDHN C#CCN1CCC(c2nc(-c3ccccc3OCCN(C)C)no2)CC1 ZINC000277846087 550720982 /nfs/dbraw/zinc/72/09/82/550720982.db2.gz JBYUGIFDPGIGBV-UHFFFAOYSA-N 0 3 354.454 2.490 20 30 FEEDHN CC[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000278367422 550777929 /nfs/dbraw/zinc/77/79/29/550777929.db2.gz BWVHSCWTJHQWGQ-HOTGVXAUSA-N 0 3 364.492 2.495 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)CC1 ZINC000278470157 550790037 /nfs/dbraw/zinc/79/00/37/550790037.db2.gz ZEDNYVAJWRMHHZ-CQSZACIVSA-N 0 3 359.396 2.363 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000278470924 550790159 /nfs/dbraw/zinc/79/01/59/550790159.db2.gz QJUIMHWRSRYYSM-INIZCTEOSA-N 0 3 355.841 2.462 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CCCCO2)cc1 ZINC000278701685 550813084 /nfs/dbraw/zinc/81/30/84/550813084.db2.gz SYYARDYQMXHTHJ-DZGCQCFKSA-N 0 3 365.455 2.453 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C)CCOCC2)cc1 ZINC000278718756 550814858 /nfs/dbraw/zinc/81/48/58/550814858.db2.gz UYPXLIGWFJASLD-LBPRGKRZSA-N 0 3 351.428 2.063 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CO)c(F)c1 ZINC000279263804 550871210 /nfs/dbraw/zinc/87/12/10/550871210.db2.gz UINCAEFVCWXBOS-UHFFFAOYSA-N 0 3 355.413 2.394 20 30 FEEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)N(C)CC(F)(F)F ZINC000279734759 550922817 /nfs/dbraw/zinc/92/28/17/550922817.db2.gz WLZIHOHZTKQLLO-CQSZACIVSA-N 0 3 370.419 2.331 20 30 FEEDHN CCc1cc2nncn2c(SCC(=O)C(C#N)c2nc(C)cs2)n1 ZINC000279889889 550940023 /nfs/dbraw/zinc/94/00/23/550940023.db2.gz IARSEAMJFMXHII-LLVKDONJSA-N 0 3 358.452 2.420 20 30 FEEDHN C=CCc1ccc(OCC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c(OC)c1 ZINC000495551203 561489615 /nfs/dbraw/zinc/48/96/15/561489615.db2.gz UQLJNWILUPAPIS-CRAIPNDOSA-N 0 3 364.511 2.307 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc([C@H]3CCCOC3)nn2C)CC1 ZINC000280212944 550972180 /nfs/dbraw/zinc/97/21/80/550972180.db2.gz QHMNTHNIMIZJOB-HNNXBMFYSA-N 0 3 361.490 2.476 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C[C@@H]1N(C)C ZINC000495638762 561490072 /nfs/dbraw/zinc/49/00/72/561490072.db2.gz SSVJFMFXKZHMMV-JQHSSLGASA-N 0 3 361.511 2.466 20 30 FEEDHN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280455264 550995926 /nfs/dbraw/zinc/99/59/26/550995926.db2.gz NXFUOUBCHBEMQD-UXHICEINSA-N 0 3 374.444 2.056 20 30 FEEDHN CN(C)C(=O)c1cccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280490917 550999842 /nfs/dbraw/zinc/99/98/42/550999842.db2.gz QEXPJBBRIRCQDW-HXUWFJFHSA-N 0 3 374.444 2.301 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000280619746 551014104 /nfs/dbraw/zinc/01/41/04/551014104.db2.gz RKWSEOKADIUETO-UHFFFAOYSA-N 0 3 352.438 2.137 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000281133832 551066989 /nfs/dbraw/zinc/06/69/89/551066989.db2.gz GXWPHPGGEIABRQ-OAGGEKHMSA-N 0 3 365.355 2.402 20 30 FEEDHN COc1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1OCCCC#N ZINC000281241918 551076925 /nfs/dbraw/zinc/07/69/25/551076925.db2.gz LWIZJFWJKMIFNG-CVEARBPZSA-N 0 3 359.426 2.308 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOCC(F)(F)C(F)F)cc1 ZINC000281278796 551080283 /nfs/dbraw/zinc/08/02/83/551080283.db2.gz RUIRVOXFMHUEEU-ZDUSSCGKSA-N 0 3 357.307 2.274 20 30 FEEDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282784149 551270025 /nfs/dbraw/zinc/27/00/25/551270025.db2.gz XGGRNPUOVQOOLX-LLVKDONJSA-N 0 3 361.389 2.149 20 30 FEEDHN C[C@H](NC(C)(C)CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccccc1 ZINC000283124817 551315593 /nfs/dbraw/zinc/31/55/93/551315593.db2.gz ZGENXXJWCZAPJB-GJZGRUSLSA-N 0 3 352.504 2.184 20 30 FEEDHN CC(C)(C#N)c1ccccc1CN1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000283943992 551454550 /nfs/dbraw/zinc/45/45/50/551454550.db2.gz HHGFTXSTMJBANQ-UHFFFAOYSA-N 0 3 366.469 2.202 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@@H](c2ccccc2)C(C)C)CC1 ZINC000284369056 551534478 /nfs/dbraw/zinc/53/44/78/551534478.db2.gz XIFQABICGHWMPE-LJQANCHMSA-N 0 3 357.498 2.309 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000284412901 551543855 /nfs/dbraw/zinc/54/38/55/551543855.db2.gz XJUMOGKDKLYUJG-WDSOQIARSA-N 0 3 364.440 2.354 20 30 FEEDHN CN(CCCN(C)C[C@H](O)COc1ccc(C#N)cc1)Cc1ccco1 ZINC000285522086 551769471 /nfs/dbraw/zinc/76/94/71/551769471.db2.gz DYQLFFUQAZXYCP-SFHVURJKSA-N 0 3 357.454 2.345 20 30 FEEDHN N#Cc1ncn(CCNCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1 ZINC000285577832 551777695 /nfs/dbraw/zinc/77/76/95/551777695.db2.gz TUOWMXQTCMWSCO-UHFFFAOYSA-N 0 3 361.331 2.144 20 30 FEEDHN CCC[C@]1(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOC1 ZINC000285695112 551796561 /nfs/dbraw/zinc/79/65/61/551796561.db2.gz VOMTVSHNDYQVON-IBGZPJMESA-N 0 3 353.426 2.231 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)c2cc(C#N)ccc2Cl)ccn1 ZINC000285902123 551825350 /nfs/dbraw/zinc/82/53/50/551825350.db2.gz VCCHQXDHNGASOJ-UHFFFAOYSA-N 0 3 358.829 2.477 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286026490 551840064 /nfs/dbraw/zinc/84/00/64/551840064.db2.gz AYQXMFKFPAUKTA-OWCLPIDISA-N 0 3 365.355 2.260 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000286034706 551841043 /nfs/dbraw/zinc/84/10/43/551841043.db2.gz BGLRHMWJEVCXPB-ZIFCJYIRSA-N 0 3 370.472 2.466 20 30 FEEDHN N#Cc1ccnc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000286095929 551847952 /nfs/dbraw/zinc/84/79/52/551847952.db2.gz FBIMMLLGBDTNAJ-LJQANCHMSA-N 0 3 362.481 2.387 20 30 FEEDHN CCOC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000286329453 551875156 /nfs/dbraw/zinc/87/51/56/551875156.db2.gz WYUZPZFUUMNFPB-QGZVFWFLSA-N 0 3 355.442 2.333 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(CCc2ccccc2)CC(C)C)CC1 ZINC000286345493 551876725 /nfs/dbraw/zinc/87/67/25/551876725.db2.gz BFLRABMEZIXZBM-UHFFFAOYSA-N 0 3 371.525 2.480 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CC)[C@H](C)c2cccnc2)CC1 ZINC000286483165 551891214 /nfs/dbraw/zinc/89/12/14/551891214.db2.gz JJEDOXQKHSLIRF-MRXNPFEDSA-N 0 3 358.486 2.148 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000286627004 551908022 /nfs/dbraw/zinc/90/80/22/551908022.db2.gz MEKWKAJFEVEKDS-VQIMIIECSA-N 0 3 355.482 2.363 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000286629647 551908209 /nfs/dbraw/zinc/90/82/09/551908209.db2.gz MHKINNQLEWDWAY-UHFFFAOYSA-N 0 3 367.852 2.204 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000286635132 551908818 /nfs/dbraw/zinc/90/88/18/551908818.db2.gz MPKSVTWENLTWQH-UHFFFAOYSA-N 0 3 369.509 2.234 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000286661594 551912004 /nfs/dbraw/zinc/91/20/04/551912004.db2.gz NXCGVWMKDATEIR-IRXDYDNUSA-N 0 3 357.498 2.452 20 30 FEEDHN C=CCOc1ccc(CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000286684066 551914371 /nfs/dbraw/zinc/91/43/71/551914371.db2.gz FTKSEYHLKBLGGC-KRWDZBQOSA-N 0 3 360.502 2.077 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000286716060 551917892 /nfs/dbraw/zinc/91/78/92/551917892.db2.gz PHXRNAOXLCCGFX-HKUYNNGSSA-N 0 3 355.482 2.356 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000286735235 551920386 /nfs/dbraw/zinc/92/03/86/551920386.db2.gz RTPXBSUUZRYPEA-QUCCMNQESA-N 0 3 369.509 2.281 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2oc3ccccc3c2C)CC1 ZINC000286735287 551920410 /nfs/dbraw/zinc/92/04/10/551920410.db2.gz RUNGNNHAMLDCNE-UHFFFAOYSA-N 0 3 355.438 2.124 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@H]2c2cccn2C)CC1 ZINC000286836222 551931602 /nfs/dbraw/zinc/93/16/02/551931602.db2.gz XVHVOCLFKQNYLS-IBGZPJMESA-N 0 3 372.513 2.235 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](c3ccccc3)C2)CC1 ZINC000286842994 551932493 /nfs/dbraw/zinc/93/24/93/551932493.db2.gz YHIOMIZCBBJNQC-SFHVURJKSA-N 0 3 355.482 2.159 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(Cc2ccccc2)CC(F)F)CC1 ZINC000286857667 551933910 /nfs/dbraw/zinc/93/39/10/551933910.db2.gz ZINAQKCRICKZGH-UHFFFAOYSA-N 0 3 365.424 2.047 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000287824099 552051572 /nfs/dbraw/zinc/05/15/72/552051572.db2.gz BTRPIRZFRMRKJU-PKOBYXMFSA-N 0 3 357.498 2.438 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(NC(=O)CN(CC)CC)c2)CC1 ZINC000288067116 552084791 /nfs/dbraw/zinc/08/47/91/552084791.db2.gz DXEVGNFHKZDYNM-UHFFFAOYSA-N 0 3 370.497 2.251 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@H](N4CCCC4)C[C@@H]3C)CC2)o1 ZINC000288301723 552128782 /nfs/dbraw/zinc/12/87/82/552128782.db2.gz IAYSUFRMOIADGY-YOEHRIQHSA-N 0 3 371.485 2.156 20 30 FEEDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288805330 552215657 /nfs/dbraw/zinc/21/56/57/552215657.db2.gz LYNZLFHEUQCHLW-LBPRGKRZSA-N 0 3 350.850 2.387 20 30 FEEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1noc(C)c1C#N ZINC000500020554 561564100 /nfs/dbraw/zinc/56/41/00/561564100.db2.gz RTWDTFPVNBWHBN-KRWDZBQOSA-N 0 3 367.453 2.305 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289120925 552269575 /nfs/dbraw/zinc/26/95/75/552269575.db2.gz QHPUMIQOWMXKEV-JSGCOSHPSA-N 0 3 360.845 2.235 20 30 FEEDHN O=C(CN[C@H](CO)C1CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000289718543 552367396 /nfs/dbraw/zinc/36/73/96/552367396.db2.gz ZBBDTOPGVSZLFT-QGZVFWFLSA-N 0 3 368.399 2.314 20 30 FEEDHN Cn1ncc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2ccc(C(C)(C)C)cc2)n1 ZINC000292379820 552721381 /nfs/dbraw/zinc/72/13/81/552721381.db2.gz UHOMDZDZALVQMA-UHFFFAOYSA-O 0 3 372.518 2.481 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC1 ZINC000293490668 552829002 /nfs/dbraw/zinc/82/90/02/552829002.db2.gz TWYHNGOAEYFFIP-KRWDZBQOSA-N 0 3 371.481 2.286 20 30 FEEDHN CN1CC[C@]2(CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000293616016 552840630 /nfs/dbraw/zinc/84/06/30/552840630.db2.gz DCEQNRRDHQTCTK-FQEVSTJZSA-N 0 3 354.454 2.221 20 30 FEEDHN C#CCNC(=O)CCNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000294330966 552897757 /nfs/dbraw/zinc/89/77/57/552897757.db2.gz YNBIOYLTTHPFNA-UHFFFAOYSA-N 0 3 370.371 2.320 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000294537500 552914012 /nfs/dbraw/zinc/91/40/12/552914012.db2.gz VQALWJBXDZBWDW-KRWDZBQOSA-N 0 3 351.447 2.087 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000296956307 553234952 /nfs/dbraw/zinc/23/49/52/553234952.db2.gz QPRJYAAETNZQDS-UHFFFAOYSA-N 0 3 356.470 2.002 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC([C@@H](F)C(=O)OCC)C1)C(C)C ZINC000297101609 553253245 /nfs/dbraw/zinc/25/32/45/553253245.db2.gz NNOJXDXFJMDMQW-DLBZAZTESA-N 0 3 369.481 2.228 20 30 FEEDHN Cc1cc(NCCNC[C@H](O)COc2ccccc2C#N)nc(C(C)C)n1 ZINC000600762245 553312636 /nfs/dbraw/zinc/31/26/36/553312636.db2.gz PSRMMZFNCIXXKN-KRWDZBQOSA-N 0 3 369.469 2.222 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNc2cc(C#N)nc(C3CC3)n2)c1 ZINC000601110221 553348361 /nfs/dbraw/zinc/34/83/61/553348361.db2.gz AAMGWCKZBBQUPY-UHFFFAOYSA-N 0 3 364.453 2.129 20 30 FEEDHN CN(CCC(=O)N(C)CCC#N)C[C@H](O)c1cccc(Br)c1 ZINC000298083316 553381798 /nfs/dbraw/zinc/38/17/98/553381798.db2.gz HQSIWXPHZSHERX-HNNXBMFYSA-N 0 3 368.275 2.176 20 30 FEEDHN C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN(C)C ZINC000298250781 553403947 /nfs/dbraw/zinc/40/39/47/553403947.db2.gz DOPOLABGGSVIGJ-QFBILLFUSA-N 0 3 357.498 2.220 20 30 FEEDHN CO[C@H]1COC[C@@H]1NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000298419257 553423170 /nfs/dbraw/zinc/42/31/70/553423170.db2.gz FWGGOMUXXWWCKB-CQDKDKBSSA-N 0 3 363.483 2.077 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000298593028 553446099 /nfs/dbraw/zinc/44/60/99/553446099.db2.gz ZAYCFEDABSOWEU-OAHLLOKOSA-N 0 3 356.470 2.417 20 30 FEEDHN C=CCC(CC=C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN(C)C ZINC000298669130 553456555 /nfs/dbraw/zinc/45/65/55/553456555.db2.gz XJASNGOYUJZBMT-HXUWFJFHSA-N 0 3 369.509 2.386 20 30 FEEDHN C[C@@H](C[S@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000299064643 553510398 /nfs/dbraw/zinc/51/03/98/553510398.db2.gz SQEMJKQRWVUDMP-RULNZOCKSA-N 0 3 353.513 2.136 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](N3CCCC3=O)C2)cc1Cl ZINC000299525073 553575844 /nfs/dbraw/zinc/57/58/44/553575844.db2.gz DDUWRJSNGYTHDG-OAHLLOKOSA-N 0 3 360.845 2.237 20 30 FEEDHN N#Cc1cccc(NC(=O)NCCCN2CCN(c3ccncc3)CC2)c1 ZINC000299545443 553579361 /nfs/dbraw/zinc/57/93/61/553579361.db2.gz KBBZMSOZDZYKFY-UHFFFAOYSA-N 0 3 364.453 2.287 20 30 FEEDHN CCC[C@@H](NC(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504335908 561656470 /nfs/dbraw/zinc/65/64/70/561656470.db2.gz HYANJLHWHCGTSD-QZTJIDSGSA-N 0 3 356.470 2.337 20 30 FEEDHN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)N(C)Cc1ccccc1 ZINC000301393575 553647762 /nfs/dbraw/zinc/64/77/62/553647762.db2.gz JMHLAEHXNZFEJD-AWEZNQCLSA-N 0 3 358.467 2.138 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000328609475 553795919 /nfs/dbraw/zinc/79/59/19/553795919.db2.gz MTZYILOXVBPPTO-RYRKJORJSA-N 0 3 351.491 2.067 20 30 FEEDHN C[C@H](NC(=O)CN[C@H]1CCCC12CCOCC2)C(=O)N1CCCCC1 ZINC000328660128 553803549 /nfs/dbraw/zinc/80/35/49/553803549.db2.gz UWFDDAXWZACHMB-HOTGVXAUSA-N 0 3 351.491 2.283 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000328689501 553807834 /nfs/dbraw/zinc/80/78/34/553807834.db2.gz BIRMHCBDCOVBBX-QZTJIDSGSA-N 0 3 366.550 2.113 20 30 FEEDHN CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000328699342 553809023 /nfs/dbraw/zinc/80/90/23/553809023.db2.gz VMYHBPHTWCHGII-INIZCTEOSA-N 0 3 357.520 2.022 20 30 FEEDHN CSC[C@H](C)C(=O)N1CCC(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000328709738 553810711 /nfs/dbraw/zinc/81/07/11/553810711.db2.gz MPAGZOHQEWWGFD-ZFWWWQNUSA-N 0 3 353.532 2.417 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000328723709 553812588 /nfs/dbraw/zinc/81/25/88/553812588.db2.gz SJSCRSIXVWHTOH-WBVHZDCISA-N 0 3 356.470 2.043 20 30 FEEDHN CCn1ncc2cc(C(=O)NC[C@@H](C)N3CCN(CC)CC3)c(C)nc21 ZINC000328732504 553814152 /nfs/dbraw/zinc/81/41/52/553814152.db2.gz XMVRNPIJATZUJB-CQSZACIVSA-N 0 3 358.490 2.090 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000329023887 553866236 /nfs/dbraw/zinc/86/62/36/553866236.db2.gz IWZXNKJRJVNHHP-ZJPYXAASSA-N 0 3 353.507 2.148 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329110747 553882296 /nfs/dbraw/zinc/88/22/96/553882296.db2.gz GMVXFVVJLQMXDX-BBWFWOEESA-N 0 3 365.522 2.246 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)c2cc3ccccc3c(=O)n2C)CC1 ZINC000329112235 553882522 /nfs/dbraw/zinc/88/25/22/553882522.db2.gz RHSAEEQVYIEUGU-UHFFFAOYSA-N 0 3 370.497 2.259 20 30 FEEDHN CSc1cc(CNC(=O)C(C)S(=O)(=O)C2CCOCC2)ccn1 ZINC000329154144 553890907 /nfs/dbraw/zinc/89/09/07/553890907.db2.gz UOSRHVZMVQJCTQ-LLVKDONJSA-N 0 3 358.485 2.242 20 30 FEEDHN CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@H](N3CCCCC3)C1)CC2 ZINC000329269403 553914045 /nfs/dbraw/zinc/91/40/45/553914045.db2.gz FDVJWQKKQNQJRY-CVEARBPZSA-N 0 3 360.506 2.191 20 30 FEEDHN O=C(NCc1ccc(CN2CCCC2=O)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000329317359 553923887 /nfs/dbraw/zinc/92/38/87/553923887.db2.gz SNBWAKYXQDAYKQ-QGZVFWFLSA-N 0 3 356.470 2.049 20 30 FEEDHN COc1cc(NC(=O)NCC2(N3CCSCC3)CCCC2)ncn1 ZINC000329318371 553924417 /nfs/dbraw/zinc/92/44/17/553924417.db2.gz FRRJPDAOBBPNKX-UHFFFAOYSA-N 0 3 351.476 2.173 20 30 FEEDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000329354882 553930731 /nfs/dbraw/zinc/93/07/31/553930731.db2.gz FKKIUOVEJNGFGQ-OIISXLGYSA-N 0 3 371.547 2.458 20 30 FEEDHN C[C@H](CN1CCOCC1)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000329369660 553933759 /nfs/dbraw/zinc/93/37/59/553933759.db2.gz JOFYHQYSKAJUQH-MRXNPFEDSA-N 0 3 361.486 2.200 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000329724500 553996171 /nfs/dbraw/zinc/99/61/71/553996171.db2.gz BPGKUSNWOBIRGH-WBVHZDCISA-N 0 3 353.507 2.291 20 30 FEEDHN C[C@@H]1C[C@H](CCNC(=O)N2CCN(CC3CCOCC3)CC2)CCO1 ZINC000329761219 554001342 /nfs/dbraw/zinc/00/13/42/554001342.db2.gz RDPKIAUNRYZEEV-IAGOWNOFSA-N 0 3 353.507 2.150 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)NCC2(N3CCOCC3)CCCCC2)CCN1C ZINC000329791928 554006819 /nfs/dbraw/zinc/00/68/19/554006819.db2.gz FCISGIPURAYZRA-IAGOWNOFSA-N 0 3 352.523 2.008 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3c[nH]nc3C2)CN1Cc1ccccc1 ZINC000329824141 554012947 /nfs/dbraw/zinc/01/29/47/554012947.db2.gz HSECMSBCFKRBSM-JLSDUUJJSA-N 0 3 353.470 2.434 20 30 FEEDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CCc2c[nH]nc2C1 ZINC000329840078 554016399 /nfs/dbraw/zinc/01/63/99/554016399.db2.gz OANIXIRJEYBQJB-ROUUACIJSA-N 0 3 353.470 2.435 20 30 FEEDHN CC(C)(O)C1CN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000329980092 554043378 /nfs/dbraw/zinc/04/33/78/554043378.db2.gz KQPLMEMMYXQNCL-UHFFFAOYSA-N 0 3 363.424 2.408 20 30 FEEDHN CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)c2)CC1 ZINC000329981908 554043489 /nfs/dbraw/zinc/04/34/89/554043489.db2.gz OEXNBUSYJOWZGX-IPELMVKDSA-N 0 3 358.486 2.077 20 30 FEEDHN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000330040175 554053644 /nfs/dbraw/zinc/05/36/44/554053644.db2.gz FRDBIKIQVBGOIW-WOSRLPQWSA-N 0 3 359.561 2.328 20 30 FEEDHN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000330058413 554056711 /nfs/dbraw/zinc/05/67/11/554056711.db2.gz YXMSTQVGUWOICT-QGZVFWFLSA-N 0 3 362.503 2.068 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(SCCOC)cc1 ZINC000507550286 561732701 /nfs/dbraw/zinc/73/27/01/561732701.db2.gz LRZKUMBSSBFACJ-UONOGXRCSA-N 0 3 365.499 2.476 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(SCCOC)cc1 ZINC000507550284 561732811 /nfs/dbraw/zinc/73/28/11/561732811.db2.gz LRZKUMBSSBFACJ-KGLIPLIRSA-N 0 3 365.499 2.476 20 30 FEEDHN CCc1cc2nncn2c(SCC(=O)NC2CCN(C3CC3)CC2)n1 ZINC000330094009 554063272 /nfs/dbraw/zinc/06/32/72/554063272.db2.gz SFXSETMKICWQND-UHFFFAOYSA-N 0 3 360.487 2.362 20 30 FEEDHN CC(C)CN1CCC(NC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC000330151605 554074523 /nfs/dbraw/zinc/07/45/23/554074523.db2.gz NOEYKIVIAJGEAM-CQSZACIVSA-N 0 3 360.520 2.046 20 30 FEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000330155067 554075101 /nfs/dbraw/zinc/07/51/01/554075101.db2.gz YBQFRXHGEIZRNE-AYOQOUSVSA-N 0 3 360.454 2.283 20 30 FEEDHN CS(=O)(=O)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN2C2CCCCC2)C1 ZINC000330170499 554077960 /nfs/dbraw/zinc/07/79/60/554077960.db2.gz BTDOQOUEKIXRAR-NVXWUHKLSA-N 0 3 371.547 2.064 20 30 FEEDHN CCN1CCN([C@H](C)CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)CC1 ZINC000330210095 554085572 /nfs/dbraw/zinc/08/55/72/554085572.db2.gz CCXXGKCSMDSEDZ-CABCVRRESA-N 0 3 373.501 2.444 20 30 FEEDHN CN1CC[C@]2(CCN(C(=O)N[C@H]3CCCN(C4CCCCC4)C3=O)C2)C1 ZINC000330225887 554088857 /nfs/dbraw/zinc/08/88/57/554088857.db2.gz UDPAZSLQDLEMKC-PXNSSMCTSA-N 0 3 362.518 2.252 20 30 FEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000330323642 554105025 /nfs/dbraw/zinc/10/50/25/554105025.db2.gz HUAQIOYLVQPCHH-SKDZVZGDSA-N 0 3 363.506 2.102 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000330427866 554120404 /nfs/dbraw/zinc/12/04/04/554120404.db2.gz UDMYARSDLWCAEF-JZXOWHBKSA-N 0 3 364.515 2.108 20 30 FEEDHN CCN1CC[C@H](N[C@H](C)C(=O)NC(=O)NC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330442174 554122149 /nfs/dbraw/zinc/12/21/49/554122149.db2.gz PMJGLUSEUQTLTQ-ONERCXAPSA-N 0 3 370.856 2.253 20 30 FEEDHN CN(C)C(=O)CCN1CCC(NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000330659136 554152038 /nfs/dbraw/zinc/15/20/38/554152038.db2.gz AICYZSPWYSFJIP-UHFFFAOYSA-N 0 3 354.401 2.233 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000330898563 554185228 /nfs/dbraw/zinc/18/52/28/554185228.db2.gz UZHANAMUAWHXDB-CQSZACIVSA-N 0 3 367.515 2.439 20 30 FEEDHN CC(C)NC(=O)NC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCCCC1 ZINC000331009128 554200706 /nfs/dbraw/zinc/20/07/06/554200706.db2.gz RAQVZNBBZWFUBJ-HZPDHXFCSA-N 0 3 352.523 2.446 20 30 FEEDHN COc1cc(NC(=O)NCC2(O)CCN(C)CC2)ccc1Br ZINC000331024691 554202848 /nfs/dbraw/zinc/20/28/48/554202848.db2.gz VLULOIUJKUJXCM-UHFFFAOYSA-N 0 3 372.263 2.240 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000508921407 561778452 /nfs/dbraw/zinc/77/84/52/561778452.db2.gz YSDKRELTUOWEJC-KRWDZBQOSA-N 0 3 374.533 2.447 20 30 FEEDHN C=CCn1c(CC2CC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000508954918 561779352 /nfs/dbraw/zinc/77/93/52/561779352.db2.gz CIPYCNJFUIONHW-UHFFFAOYSA-N 0 3 372.561 2.411 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C[C@@H]1N1CCCC1 ZINC000331543532 554282879 /nfs/dbraw/zinc/28/28/79/554282879.db2.gz IFGRIUZATLCPQT-FHLIZLRMSA-N 0 3 359.495 2.364 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)CC3CCN(C)CC3)C2)n1 ZINC000331659180 554303071 /nfs/dbraw/zinc/30/30/71/554303071.db2.gz XDLWWTSFHMMJCN-LJQANCHMSA-N 0 3 369.513 2.278 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC(C)(C)CC(C)(C)C3)CC2)o1 ZINC000332334188 554427334 /nfs/dbraw/zinc/42/73/34/554427334.db2.gz UANMJIYKQCSWHN-UHFFFAOYSA-N 0 3 373.501 2.261 20 30 FEEDHN CCN1CCN(c2ccc(NC(=O)Nc3nn(C)cc3C#N)c(C)c2)CC1 ZINC000610564740 554529987 /nfs/dbraw/zinc/52/99/87/554529987.db2.gz LHVRWXBAUKCSFN-UHFFFAOYSA-N 0 3 367.457 2.386 20 30 FEEDHN Cc1nnc([C@@H]2CCN([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119858 554575419 /nfs/dbraw/zinc/57/54/19/554575419.db2.gz HZTAIZCEQRZAES-PPKXHPOVSA-N 0 3 358.490 2.222 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](N3CCCC3=O)CC2)CC1 ZINC000334017427 554668515 /nfs/dbraw/zinc/66/85/15/554668515.db2.gz BSUWUTPCEBHVAF-SFHVURJKSA-N 0 3 362.518 2.213 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C2CCN([C@@H](C)c3ccccc3)CC2)C1=O ZINC000348506058 554687649 /nfs/dbraw/zinc/68/76/49/554687649.db2.gz JRTVDCZHMIQHMD-YJBOKZPZSA-N 0 3 357.454 2.335 20 30 FEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CCN2CCOCC2)CC1 ZINC000360588294 554880915 /nfs/dbraw/zinc/88/09/15/554880915.db2.gz MPYDGHBUYKVKIT-KRWDZBQOSA-N 0 3 370.497 2.320 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000362971808 555004540 /nfs/dbraw/zinc/00/45/40/555004540.db2.gz YXUDMVFURRREMY-RTBURBONSA-N 0 3 356.470 2.343 20 30 FEEDHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1 ZINC000511743368 561879354 /nfs/dbraw/zinc/87/93/54/561879354.db2.gz MZIPWABGBKRMJW-NVXWUHKLSA-N 0 3 366.469 2.128 20 30 FEEDHN Cn1ncc(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)c1C#N ZINC000511753208 561879623 /nfs/dbraw/zinc/87/96/23/561879623.db2.gz CHXIVTRNPGJQRQ-GOSISDBHSA-N 0 3 351.454 2.322 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](C)CN3CCCCC3)C2)n1 ZINC000363426169 555102629 /nfs/dbraw/zinc/10/26/29/555102629.db2.gz LHBCOWBWPUVEMF-IEBWSBKVSA-N 0 3 369.513 2.469 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000363515024 555124876 /nfs/dbraw/zinc/12/48/76/555124876.db2.gz AUBMMUYRRYMPQB-HKUYNNGSSA-N 0 3 357.454 2.087 20 30 FEEDHN C=CCN=c1[nH]cc(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)s1 ZINC000363706122 555168229 /nfs/dbraw/zinc/16/82/29/555168229.db2.gz AAMRHWJSJKYIRG-INIZCTEOSA-N 0 3 371.510 2.778 20 30 FEEDHN COC(=O)[C@H]1C[C@H](N[C@H]2CCC[C@@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC000364030206 555236358 /nfs/dbraw/zinc/23/63/58/555236358.db2.gz JQHHLPOPEXSVAL-CBBWQLFWSA-N 0 3 351.447 2.209 20 30 FEEDHN CO/N=C/c1ccc(C(=O)NC2CCN(CCc3ccncc3)CC2)cc1 ZINC000364426849 555311860 /nfs/dbraw/zinc/31/18/60/555311860.db2.gz DWCDTEHAYOVZMA-XQNSMLJCSA-N 0 3 366.465 2.499 20 30 FEEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000512506054 561907957 /nfs/dbraw/zinc/90/79/57/561907957.db2.gz GNPAXZDTDAKJOZ-INIZCTEOSA-N 0 3 354.520 2.124 20 30 FEEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000364872774 555421624 /nfs/dbraw/zinc/42/16/24/555421624.db2.gz NNXVWFNOEFUXHL-BBRMVZONSA-N 0 3 351.834 2.019 20 30 FEEDHN C=CCN(C(=O)NCCOCCOC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364914298 555435893 /nfs/dbraw/zinc/43/58/93/555435893.db2.gz NHQGVCXBCZGHHT-IBGZPJMESA-N 0 3 361.486 2.122 20 30 FEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365534192 555601187 /nfs/dbraw/zinc/60/11/87/555601187.db2.gz FKJUILUIZBMJQC-FFZOFVMBSA-N 0 3 356.466 2.318 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(N2CCN(CCC)CC2)CC1 ZINC000365945853 555707856 /nfs/dbraw/zinc/70/78/56/555707856.db2.gz DDCQRYSUDXDPHI-WOJBJXKFSA-N 0 3 363.546 2.376 20 30 FEEDHN C[C@@H](N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013882 555727510 /nfs/dbraw/zinc/72/75/10/555727510.db2.gz YNCDNSXYRWUETR-WBVHZDCISA-N 0 3 362.905 2.269 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000366189232 555776448 /nfs/dbraw/zinc/77/64/48/555776448.db2.gz DNNHPDDCNXJAOI-IBGZPJMESA-N 0 3 371.481 2.477 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000366341940 555815955 /nfs/dbraw/zinc/81/59/55/555815955.db2.gz MNQLLJNGJYFNPF-ICSRJNTNSA-N 0 3 367.449 2.427 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000366379971 555827758 /nfs/dbraw/zinc/82/77/58/555827758.db2.gz GNESXRDFWPGQCS-MJGOQNOKSA-N 0 3 358.401 2.162 20 30 FEEDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000514245208 561965538 /nfs/dbraw/zinc/96/55/38/561965538.db2.gz TZCURTYAASACEP-ZRUZRRJWSA-N 0 3 351.491 2.483 20 30 FEEDHN Cn1cccc1C(=O)NC1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000366844726 555949461 /nfs/dbraw/zinc/94/94/61/555949461.db2.gz JYRFGDVNCRQGFO-UHFFFAOYSA-N 0 3 358.486 2.320 20 30 FEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000514793080 561979931 /nfs/dbraw/zinc/97/99/31/561979931.db2.gz GNDLQCHMDQEHBJ-YRPNKDGESA-N 0 3 364.449 2.004 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000367851576 556154936 /nfs/dbraw/zinc/15/49/36/556154936.db2.gz AXODCLSYKJGIQZ-GJZGRUSLSA-N 0 3 370.453 2.049 20 30 FEEDHN CN(C)C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc2O1 ZINC000367948777 556180063 /nfs/dbraw/zinc/18/00/63/556180063.db2.gz XCMOYUSPGIWCDV-QGZVFWFLSA-N 0 3 371.462 2.217 20 30 FEEDHN CN(CCC#N)C[C@H](O)CNCc1ccnc(Oc2ccccc2F)c1 ZINC000515166164 561998535 /nfs/dbraw/zinc/99/85/35/561998535.db2.gz CCNBHPZGDIQVPJ-MRXNPFEDSA-N 0 3 358.417 2.309 20 30 FEEDHN C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000515310484 562004602 /nfs/dbraw/zinc/00/46/02/562004602.db2.gz SDBHUHGARQPEHI-UHFFFAOYSA-N 0 3 365.437 2.135 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000515473099 562011851 /nfs/dbraw/zinc/01/18/51/562011851.db2.gz VDDBETKVAQUAPC-IBGZPJMESA-N 0 3 357.498 2.438 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000368796381 556414645 /nfs/dbraw/zinc/41/46/45/556414645.db2.gz XZCGMBQTXNOKQV-UHFFFAOYSA-N 0 3 368.462 2.339 20 30 FEEDHN C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)CC1 ZINC000368867988 556433562 /nfs/dbraw/zinc/43/35/62/556433562.db2.gz TWYCZUDAEPIAMC-UHFFFAOYSA-N 0 3 350.422 2.029 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000368873873 556435508 /nfs/dbraw/zinc/43/55/08/556435508.db2.gz AFJCOKJLCDUWLF-UHFFFAOYSA-N 0 3 367.449 2.354 20 30 FEEDHN C=CCN(C(=O)N[C@@H](C)c1nncn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368924143 556449978 /nfs/dbraw/zinc/44/99/78/556449978.db2.gz HWWFTGKTLBSHQQ-WMZOPIPTSA-N 0 3 368.485 2.348 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(c3cc(F)cc(F)c3)C2=O)CC1 ZINC000369041315 556485956 /nfs/dbraw/zinc/48/59/56/556485956.db2.gz KKNYBEAFEHKKEC-QGZVFWFLSA-N 0 3 363.408 2.084 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC3CCOCC3)CC2)cc1 ZINC000369306074 556570270 /nfs/dbraw/zinc/57/02/70/556570270.db2.gz OBEORPNMKVQCLA-SFHVURJKSA-N 0 3 367.449 2.427 20 30 FEEDHN C=CCN(C(=O)c1cccn(C)c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000369308571 556570556 /nfs/dbraw/zinc/57/05/56/556570556.db2.gz ULJZKHYWTUCXGL-GOSISDBHSA-N 0 3 351.450 2.288 20 30 FEEDHN C[C@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000369767019 556689386 /nfs/dbraw/zinc/68/93/86/556689386.db2.gz PKJUHFNXMRDZKC-FXAWDEMLSA-N 0 3 351.498 2.269 20 30 FEEDHN COCCCN1CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000369904095 556725698 /nfs/dbraw/zinc/72/56/98/556725698.db2.gz HMQKEWUYVPLEMT-HNNXBMFYSA-N 0 3 362.474 2.139 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000370558260 556908265 /nfs/dbraw/zinc/90/82/65/556908265.db2.gz OLJIPAFBPQTQAY-MRXNPFEDSA-N 0 3 356.451 2.399 20 30 FEEDHN Cc1nnc([C@H]2CC23CCN(C[C@H](O)COc2ccc(C#N)cc2)CC3)o1 ZINC000370812449 556975800 /nfs/dbraw/zinc/97/58/00/556975800.db2.gz VVMOWCGRRCSRMQ-FUHWJXTLSA-N 0 3 368.437 2.259 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000370884793 557002318 /nfs/dbraw/zinc/00/23/18/557002318.db2.gz CQRROQOZFNEEKF-RDJZCZTQSA-N 0 3 373.501 2.090 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371350070 557156481 /nfs/dbraw/zinc/15/64/81/557156481.db2.gz PIJTYWLDFCFOPJ-IBGZPJMESA-N 0 3 364.578 2.290 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](C3CC3)C2)CC1 ZINC000371474073 557192410 /nfs/dbraw/zinc/19/24/10/557192410.db2.gz VSZWSIJBMPRSQP-DLBZAZTESA-N 0 3 358.511 2.189 20 30 FEEDHN CC1(C)C(=O)N[C@H]1C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000517583295 562093202 /nfs/dbraw/zinc/09/32/02/562093202.db2.gz IYHVSWSHSLCYOG-SFHVURJKSA-N 0 3 354.454 2.123 20 30 FEEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 ZINC000517751069 562097195 /nfs/dbraw/zinc/09/71/95/562097195.db2.gz FGSIJXGKFKRGNQ-AWEZNQCLSA-N 0 3 362.499 2.312 20 30 FEEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 ZINC000517751070 562097256 /nfs/dbraw/zinc/09/72/56/562097256.db2.gz FGSIJXGKFKRGNQ-CQSZACIVSA-N 0 3 362.499 2.312 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCCC[C@H]1CN1CCOCC1 ZINC000371635224 557246726 /nfs/dbraw/zinc/24/67/26/557246726.db2.gz UFUOROLLAGJUSY-SFHVURJKSA-N 0 3 356.470 2.074 20 30 FEEDHN COc1ccc(CN[C@@H]2CCCN(c3ccccc3C(N)=O)C2)cc1C#N ZINC000371799812 557296508 /nfs/dbraw/zinc/29/65/08/557296508.db2.gz UXDNVMCNHGUOPR-QGZVFWFLSA-N 0 3 364.449 2.424 20 30 FEEDHN Cc1cc(NC(=O)N2C[C@@H]3CCCN3C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000372373124 557453581 /nfs/dbraw/zinc/45/35/81/557453581.db2.gz BLXBOIHOKCYKAW-YJBOKZPZSA-N 0 3 364.453 2.753 20 30 FEEDHN C=CCn1c(-c2ncccn2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000519695299 562140398 /nfs/dbraw/zinc/14/03/98/562140398.db2.gz IVJRZAVXTAQLAK-UHFFFAOYSA-N 0 3 353.474 2.376 20 30 FEEDHN COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1cc(C#N)ccc1C ZINC000373182634 557645878 /nfs/dbraw/zinc/64/58/78/557645878.db2.gz KKAHVMQGYPEGDH-INIZCTEOSA-N 0 3 357.435 2.474 20 30 FEEDHN C=CCN(CCOc1ccc(S(N)(=O)=O)cc1)CCc1ccccc1 ZINC000520130595 562149443 /nfs/dbraw/zinc/14/94/43/562149443.db2.gz POTOEPHCLKFZJY-UHFFFAOYSA-N 0 3 360.479 2.444 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC000373401557 557687310 /nfs/dbraw/zinc/68/73/10/557687310.db2.gz ZIZJXZDGGIZQMT-SFHVURJKSA-N 0 3 364.449 2.148 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)O[C@]3(CCCOC3)C2)CC1 ZINC000373492468 557704112 /nfs/dbraw/zinc/70/41/12/557704112.db2.gz DQMLDUDEPKHXBX-AZUAARDMSA-N 0 3 365.518 2.397 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)CC1 ZINC000373777624 557757068 /nfs/dbraw/zinc/75/70/68/557757068.db2.gz NMXCSXNDMHSOAF-UWVAXJGDSA-N 0 3 365.518 2.395 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000373854301 557774047 /nfs/dbraw/zinc/77/40/47/557774047.db2.gz ZPWNQBBLZBEDDI-SFHVURJKSA-N 0 3 356.385 2.402 20 30 FEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374016770 557808260 /nfs/dbraw/zinc/80/82/60/557808260.db2.gz GGTSOJXLWPZEDH-NVEXJGOOSA-N 0 3 367.449 2.426 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)c(F)c1 ZINC000375004040 557962823 /nfs/dbraw/zinc/96/28/23/557962823.db2.gz XDTFZYKZFYADDP-ZDUSSCGKSA-N 0 3 361.392 2.018 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CCN(CCc2ccncc2)CC1 ZINC000375011730 557963842 /nfs/dbraw/zinc/96/38/42/557963842.db2.gz HXJRGCGIVFAHAP-OAQYLSRUSA-N 0 3 371.529 2.075 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@H]21 ZINC000375018186 557964805 /nfs/dbraw/zinc/96/48/05/557964805.db2.gz IULDCJLKDGWDPJ-MAUKXSAKSA-N 0 3 354.454 2.220 20 30 FEEDHN C=CCN(CC=C)C(=O)CN(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000375267452 558001488 /nfs/dbraw/zinc/00/14/88/558001488.db2.gz VNHFZTWDFDCHRC-GHTZIAJQSA-N 0 3 373.545 2.326 20 30 FEEDHN C(#CCN1CCC[C@H](n2cccn2)C1)CN1CCC[C@@H](n2cccn2)C1 ZINC000375386544 558019171 /nfs/dbraw/zinc/01/91/71/558019171.db2.gz IQQNJXLYWCWPFO-BGYRXZFFSA-N 0 3 352.486 2.057 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCN([C@H](C)CO)CC2)cc1 ZINC000375492836 558036971 /nfs/dbraw/zinc/03/69/71/558036971.db2.gz GNJNMBQPGQVRSL-RTBURBONSA-N 0 3 372.513 2.019 20 30 FEEDHN COC(=O)[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000375905156 558097017 /nfs/dbraw/zinc/09/70/17/558097017.db2.gz NCVIBCQWGMYBAQ-DLBZAZTESA-N 0 3 351.406 2.042 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@H]21 ZINC000376075045 558123363 /nfs/dbraw/zinc/12/33/63/558123363.db2.gz KYDTYTDXLGFHDJ-OXQOHEQNSA-N 0 3 370.472 2.466 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCCN(CCCOC)CC1 ZINC000377207494 558288756 /nfs/dbraw/zinc/28/87/56/558288756.db2.gz KSAAJAPDBDPAQL-HXUWFJFHSA-N 0 3 357.498 2.375 20 30 FEEDHN CN1CC[C@H](NCC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000377685347 558396478 /nfs/dbraw/zinc/39/64/78/558396478.db2.gz ZXWKKPYPJCBHSH-PKOBYXMFSA-N 0 3 373.888 2.331 20 30 FEEDHN C#Cc1ccc(CN2CCC[C@H](c3n[nH]cc3C(=O)NCCOC)C2)cc1 ZINC000377710901 558402858 /nfs/dbraw/zinc/40/28/58/558402858.db2.gz YHKXVBUIYXOIEY-SFHVURJKSA-N 0 3 366.465 2.147 20 30 FEEDHN N#CCCCCS(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000377770845 558416769 /nfs/dbraw/zinc/41/67/69/558416769.db2.gz QWQQALBUDWGGAF-RBUKOAKNSA-N 0 3 361.511 2.464 20 30 FEEDHN COc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1OCCCC#N ZINC000377838096 558432516 /nfs/dbraw/zinc/43/25/16/558432516.db2.gz VNXWQAILRGCQND-OIISXLGYSA-N 0 3 357.454 2.477 20 30 FEEDHN N#Cc1cccnc1-n1cc(NC(=O)C2C[C@H](c3ccccc3)OC2=O)cn1 ZINC000377853538 558435492 /nfs/dbraw/zinc/43/54/92/558435492.db2.gz AJHASVFWOBXINT-DLBZAZTESA-N 0 3 373.372 2.382 20 30 FEEDHN C[C@H]1CN(C(=O)c2cccc(SCC#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000378316993 558528088 /nfs/dbraw/zinc/52/80/88/558528088.db2.gz OMKLQQXVXAYFLP-QFBILLFUSA-N 0 3 372.538 2.400 20 30 FEEDHN CC(=O)N1CCC(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000524300201 562226695 /nfs/dbraw/zinc/22/66/95/562226695.db2.gz HIFBHKXLDCFVIL-LLVKDONJSA-N 0 3 360.483 2.036 20 30 FEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000409550458 558702695 /nfs/dbraw/zinc/70/26/95/558702695.db2.gz FMJSUMVZEZUBRA-INIZCTEOSA-N 0 3 364.515 2.098 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000410126574 558740330 /nfs/dbraw/zinc/74/03/30/558740330.db2.gz BINHXXLIFIIGFA-QGZVFWFLSA-N 0 3 364.515 2.063 20 30 FEEDHN N#Cc1ccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000525493407 562249233 /nfs/dbraw/zinc/24/92/33/562249233.db2.gz ZLASSHIACXYNJU-HXUWFJFHSA-N 0 3 350.422 2.317 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](CO)[C@@H]2CCCOC2)c1 ZINC000411996671 559000771 /nfs/dbraw/zinc/00/07/71/559000771.db2.gz SLODUWGFYQFBDT-NLWGTHIKSA-N 0 3 373.497 2.316 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2n[nH]cc2Br)cc1 ZINC000525917568 562259691 /nfs/dbraw/zinc/25/96/91/562259691.db2.gz YIVGIIDCFLVLQG-GFCCVEGCSA-N 0 3 358.199 2.043 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)ccn1 ZINC000412237383 559021908 /nfs/dbraw/zinc/02/19/08/559021908.db2.gz VAHKXYIPLCSWPO-RBUKOAKNSA-N 0 3 364.449 2.314 20 30 FEEDHN N#Cc1c(F)cccc1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412770177 559055296 /nfs/dbraw/zinc/05/52/96/559055296.db2.gz GWXAKJSPDZYQBE-UHFFFAOYSA-N 0 3 367.424 2.454 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000412838200 559058213 /nfs/dbraw/zinc/05/82/13/559058213.db2.gz JMJUIRPNICRBQV-RDJZCZTQSA-N 0 3 365.495 2.272 20 30 FEEDHN COc1ccc(C[C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000414140691 559150626 /nfs/dbraw/zinc/15/06/26/559150626.db2.gz RDKKPMKFZRFYCP-DNVCBOLYSA-N 0 3 364.449 2.284 20 30 FEEDHN C=CCC1(CNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CCCC1 ZINC000415258039 559219155 /nfs/dbraw/zinc/21/91/55/559219155.db2.gz QSFPQXVSCAPPKZ-UHFFFAOYSA-N 0 3 357.454 2.360 20 30 FEEDHN N#Cc1ccc(NC(=O)N[C@@H]2CNCCC2(F)F)cc1Br ZINC000415685254 559261651 /nfs/dbraw/zinc/26/16/51/559261651.db2.gz BGWJHVJMGCWHOV-LLVKDONJSA-N 0 3 359.174 2.439 20 30 FEEDHN C=CCc1cc(CNC(=O)N[C@H]2CNCCC2(F)F)cc(OC)c1OC ZINC000417377695 559359953 /nfs/dbraw/zinc/35/99/53/559359953.db2.gz DJVQFKKDPVNJIS-HNNXBMFYSA-N 0 3 369.412 2.229 20 30 FEEDHN COc1ccc(CN2C[C@H](C)N(CCO)C[C@H]2C)cc1OCCCC#N ZINC000418123737 559391022 /nfs/dbraw/zinc/39/10/22/559391022.db2.gz YPNUTKONAKRMAN-DLBZAZTESA-N 0 3 361.486 2.265 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418812334 559417094 /nfs/dbraw/zinc/41/70/94/559417094.db2.gz BFUVPQXAKKFJJQ-QRVBRYPASA-N 0 3 373.497 2.023 20 30 FEEDHN CN(CCN1CCN(C(=O)NCC2(C#N)CCC2)CC1)Cc1ccccc1 ZINC000419622251 559450351 /nfs/dbraw/zinc/45/03/51/559450351.db2.gz GLOARGPZAIWGOB-UHFFFAOYSA-N 0 3 369.513 2.139 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000422529908 559593141 /nfs/dbraw/zinc/59/31/41/559593141.db2.gz PTIQFSMVAPOAMV-WOJBJXKFSA-N 0 3 369.509 2.377 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422540334 559593759 /nfs/dbraw/zinc/59/37/59/559593759.db2.gz JYXDMEGAGDFGRJ-RBUKOAKNSA-N 0 3 357.498 2.231 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000424101008 559654786 /nfs/dbraw/zinc/65/47/86/559654786.db2.gz IUVGAYFMLPADMA-MRXNPFEDSA-N 0 3 362.861 2.036 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000424141393 559655878 /nfs/dbraw/zinc/65/58/78/559655878.db2.gz UCQLFNKHSKJXHA-JKSUJKDBSA-N 0 3 368.437 2.175 20 30 FEEDHN COC(=O)c1cc(NC(=O)[C@@H](N)CCCC#N)cc(Br)c1F ZINC000424185677 559657053 /nfs/dbraw/zinc/65/70/53/559657053.db2.gz HAXZQNHQADSKRM-NSHDSACASA-N 0 3 372.194 2.334 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H](c2ccsc2)N(CC)CC)nn1 ZINC000425404534 559700416 /nfs/dbraw/zinc/70/04/16/559700416.db2.gz LUHAJKKCDZHNBP-INIZCTEOSA-N 0 3 362.503 2.408 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N=c2ccn(CCC(F)(F)F)[nH]2)CC1 ZINC000425705364 559715477 /nfs/dbraw/zinc/71/54/77/559715477.db2.gz CDPYMYNPNIMGLR-UHFFFAOYSA-N 0 3 359.396 2.998 20 30 FEEDHN N#CCCC[C@@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000433016022 559870093 /nfs/dbraw/zinc/87/00/93/559870093.db2.gz MXUCDIVKGOQGKL-LJQANCHMSA-N 0 3 368.481 2.092 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000433321360 559876882 /nfs/dbraw/zinc/87/68/82/559876882.db2.gz XRTDYVJVIGJUSA-INIZCTEOSA-N 0 3 361.401 2.171 20 30 FEEDHN COCCOc1ncccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433321782 559876932 /nfs/dbraw/zinc/87/69/32/559876932.db2.gz WDMQIFGUNZRMCR-QGZVFWFLSA-N 0 3 353.422 2.496 20 30 FEEDHN CCN(C(=O)C(C#N)CCc1ccccc1)[C@H](C)CS(=O)(=O)CC ZINC000433352086 559877993 /nfs/dbraw/zinc/87/79/93/559877993.db2.gz HJNVZRNAUKJIGO-NVXWUHKLSA-N 0 3 350.484 2.431 20 30 FEEDHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCC(=O)NC1(C#N)CCC1 ZINC000527377931 562287145 /nfs/dbraw/zinc/28/71/45/562287145.db2.gz JVQNIEIEWPMDTJ-UHFFFAOYSA-N 0 3 370.375 2.410 20 30 FEEDHN CN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CCN(C)CC1 ZINC000448558672 560190173 /nfs/dbraw/zinc/19/01/73/560190173.db2.gz OOIVTXJYDOVXQH-CQSZACIVSA-N 0 3 374.872 2.117 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000448737683 560197358 /nfs/dbraw/zinc/19/73/58/560197358.db2.gz PDYXYDKRMDLRBO-RTWAWAEBSA-N 0 3 371.525 2.292 20 30 FEEDHN COc1cc(CNCCn2cc(Br)ccc2=O)ccc1C#N ZINC000449380804 560227719 /nfs/dbraw/zinc/22/77/19/560227719.db2.gz WYSNXVMXIOUDGK-UHFFFAOYSA-N 0 3 362.227 2.281 20 30 FEEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000449803959 560240600 /nfs/dbraw/zinc/24/06/00/560240600.db2.gz LHAWNEDZTMAVMD-LLVKDONJSA-N 0 3 364.243 2.052 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450070510 560249858 /nfs/dbraw/zinc/24/98/58/560249858.db2.gz ZRRWVMAABHETLO-RWQQGDIJSA-N 0 3 350.503 2.315 20 30 FEEDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 ZINC000450134227 560251703 /nfs/dbraw/zinc/25/17/03/560251703.db2.gz OIYCKUNUHYKPAZ-OXQOHEQNSA-N 0 3 357.454 2.400 20 30 FEEDHN Cc1cccc(N2CCN(CCCCNc3nccc(C#N)n3)CC2)c1 ZINC000450250036 560255716 /nfs/dbraw/zinc/25/57/16/560255716.db2.gz FXNYRQQRBMLJRE-UHFFFAOYSA-N 0 3 350.470 2.671 20 30 FEEDHN N#Cc1cnc(NCc2ccccc2CN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000450359166 560259726 /nfs/dbraw/zinc/25/97/26/560259726.db2.gz VFMUIGBBUNJZRN-UHFFFAOYSA-N 0 3 367.409 2.430 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000450856480 560275771 /nfs/dbraw/zinc/27/57/71/560275771.db2.gz ITVUTTZDZNRCFC-KSZLIROESA-N 0 3 360.479 2.269 20 30 FEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451238809 560295108 /nfs/dbraw/zinc/29/51/08/560295108.db2.gz DXPDJKIYTBXUEY-WFASDCNBSA-N 0 3 355.891 2.367 20 30 FEEDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)C2)C1 ZINC000451575884 560315808 /nfs/dbraw/zinc/31/58/08/560315808.db2.gz UFJNOMBLYWPSFN-INIZCTEOSA-N 0 3 353.875 2.122 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000451604548 560317002 /nfs/dbraw/zinc/31/70/02/560317002.db2.gz HKFMLJMETWHZHB-QGTPRVQTSA-N 0 3 359.470 2.429 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000451614150 560317372 /nfs/dbraw/zinc/31/73/72/560317372.db2.gz PEILUCWIQKVADP-ILXRZTDVSA-N 0 3 351.244 2.488 20 30 FEEDHN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453430567 560386596 /nfs/dbraw/zinc/38/65/96/560386596.db2.gz DKDUXLVAHGYILU-HZPDHXFCSA-N 0 3 351.495 2.109 20 30 FEEDHN C=CC[C@H](CC)NC(=O)N1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000454912644 560463221 /nfs/dbraw/zinc/46/32/21/560463221.db2.gz NCFJYKVQMDKIEA-MOPGFXCFSA-N 0 3 364.534 2.317 20 30 FEEDHN CCN1CCN([C@H](C)CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455632606 560489904 /nfs/dbraw/zinc/48/99/04/560489904.db2.gz BODJCBKVCUOXCA-QGZVFWFLSA-N 0 3 356.514 2.269 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1 ZINC000456426594 560520321 /nfs/dbraw/zinc/52/03/21/560520321.db2.gz YSOVDRIWNRFDET-OXJNMPFZSA-N 0 3 374.444 2.104 20 30 FEEDHN CC1(C)CCCN1CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000457056429 560546112 /nfs/dbraw/zinc/54/61/12/560546112.db2.gz NWDUDRFTAZTODD-SFHVURJKSA-N 0 3 368.481 2.040 20 30 FEEDHN C=CCC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000457447154 560567382 /nfs/dbraw/zinc/56/73/82/560567382.db2.gz XZDPRGUODROLSW-HKUYNNGSSA-N 0 3 361.486 2.458 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000458346142 560615862 /nfs/dbraw/zinc/61/58/62/560615862.db2.gz VWOMNQFXBGODDA-LJQANCHMSA-N 0 3 351.491 2.400 20 30 FEEDHN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000459006920 560661542 /nfs/dbraw/zinc/66/15/42/560661542.db2.gz JFCGQOYWKONRRN-FRYIKTPZSA-N 0 3 370.497 2.251 20 30 FEEDHN CCc1ncc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)o1 ZINC000459049895 560663824 /nfs/dbraw/zinc/66/38/24/560663824.db2.gz LWGJKSUHHNJSHR-UHFFFAOYSA-N 0 3 355.442 2.382 20 30 FEEDHN COc1cccnc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000459119050 560667858 /nfs/dbraw/zinc/66/78/58/560667858.db2.gz PSKBJKOQNWHQBR-UHFFFAOYSA-N 0 3 367.453 2.235 20 30 FEEDHN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460768345 560751415 /nfs/dbraw/zinc/75/14/15/560751415.db2.gz KYNSOEZIIMOWRQ-WBVHZDCISA-N 0 3 363.506 2.251 20 30 FEEDHN C[C@@H](C(=O)NCc1ccncc1OCCN(C)C)c1cccc(C#N)c1 ZINC000462444339 560810270 /nfs/dbraw/zinc/81/02/70/560810270.db2.gz KASVDNGXSVZFMS-OAHLLOKOSA-N 0 3 352.438 2.314 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000463700825 560821802 /nfs/dbraw/zinc/82/18/02/560821802.db2.gz JQSMAAJXBBWWRT-UHFFFAOYSA-N 0 3 351.472 2.060 20 30 FEEDHN CC(C#N)C(=O)N(CCCNC(=O)[C@@H](C)C#N)CCCc1ccccc1 ZINC000468783129 560938602 /nfs/dbraw/zinc/93/86/02/560938602.db2.gz BEMDOULVNAYXMF-DLBZAZTESA-N 0 3 354.454 2.273 20 30 FEEDHN CN(C)CCCN(CCC#N)C(=O)CCC(=O)c1ccc(Cl)cn1 ZINC000469725009 560963020 /nfs/dbraw/zinc/96/30/20/560963020.db2.gz KKFYVKAJCWAZFP-UHFFFAOYSA-N 0 3 350.850 2.392 20 30 FEEDHN C[C@@H]1CN(CCCNC(=O)CSCc2ccc(C#N)cc2)CCCO1 ZINC000470062124 560973182 /nfs/dbraw/zinc/97/31/82/560973182.db2.gz MPZZYTLPWZQYQO-MRXNPFEDSA-N 0 3 361.511 2.409 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCNC(=O)c2ccccc2)cc1 ZINC000470895036 560993134 /nfs/dbraw/zinc/99/31/34/560993134.db2.gz QHPHGDNDOCRSLC-IBGZPJMESA-N 0 3 360.417 2.177 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCn2c(=O)[nH]c3ccccc32)cc1 ZINC000471052812 560997067 /nfs/dbraw/zinc/99/70/67/560997067.db2.gz OAZQJPFNEDZANH-INIZCTEOSA-N 0 3 359.389 2.112 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCc2nnc3ccccn32)cc1 ZINC000471965267 561015172 /nfs/dbraw/zinc/01/51/72/561015172.db2.gz LJQHGNGKQUTDCW-QGZVFWFLSA-N 0 3 358.405 2.032 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000472425343 561026116 /nfs/dbraw/zinc/02/61/16/561026116.db2.gz MJWUKJXMBOBBJO-IEBWSBKVSA-N 0 3 372.428 2.442 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCCN(C(C)=O)C1)C(C)C ZINC000474053339 561064430 /nfs/dbraw/zinc/06/44/30/561064430.db2.gz CWZIWFIUFAXNTO-RBUKOAKNSA-N 0 3 364.534 2.243 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)c1cnn(C)c1C#N)c1cccc(OC)c1 ZINC000474436889 561074068 /nfs/dbraw/zinc/07/40/68/561074068.db2.gz WLTSNVAVZCLERA-GOSISDBHSA-N 0 3 355.442 2.113 20 30 FEEDHN CN(C)CCn1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1=O ZINC000476503394 561121069 /nfs/dbraw/zinc/12/10/69/561121069.db2.gz JLMFOQCMWKXMPV-QGZVFWFLSA-N 0 3 352.438 2.436 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCN(CC2CCCCC2)CC1 ZINC000528361052 562324900 /nfs/dbraw/zinc/32/49/00/562324900.db2.gz SIKZRSIDXCMNCW-FQEVSTJZSA-N 0 3 357.498 2.496 20 30 FEEDHN CN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C2(CCCCC2)C1 ZINC000528399171 562326936 /nfs/dbraw/zinc/32/69/36/562326936.db2.gz RMHWPWHSIKSGOZ-UHFFFAOYSA-N 0 3 365.477 2.236 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000528435093 562329161 /nfs/dbraw/zinc/32/91/61/562329161.db2.gz ZADFPKRWTTWPEF-DLBZAZTESA-N 0 3 367.453 2.173 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1OC ZINC000528921097 562352951 /nfs/dbraw/zinc/35/29/51/562352951.db2.gz SNMMTMVTIIYLPF-WHOOJLRASA-N 0 3 360.410 2.411 20 30 FEEDHN COCc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1C#N ZINC000529216216 562365277 /nfs/dbraw/zinc/36/52/77/562365277.db2.gz HKLSQONCOUMREM-UHFFFAOYSA-N 0 3 351.410 2.454 20 30 FEEDHN CN(C)CCn1c2cc(NC(=O)Cc3cccc(C#N)c3)ccc2oc1=O ZINC000531386405 562444390 /nfs/dbraw/zinc/44/43/90/562444390.db2.gz ZXUGGOMJJHDOGI-UHFFFAOYSA-N 0 3 364.405 2.209 20 30 FEEDHN COC(=O)CC1(NCCS(=O)(=O)c2ccc(C#N)cc2)CCCCC1 ZINC000533526382 562511619 /nfs/dbraw/zinc/51/16/19/562511619.db2.gz AKTZOANFMMYNCG-UHFFFAOYSA-N 0 3 364.467 2.188 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000534755235 562541839 /nfs/dbraw/zinc/54/18/39/562541839.db2.gz JPTMJWBYHIUQEW-KRWDZBQOSA-N 0 3 359.474 2.081 20 30 FEEDHN C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCOC1 ZINC000541648298 562617200 /nfs/dbraw/zinc/61/72/00/562617200.db2.gz KAKKNJDJJZKBNC-CABCVRRESA-N 0 3 353.426 2.087 20 30 FEEDHN COc1cc(CC2CN(C[C@H](O)CC3(C#N)CCOCC3)C2)cc(OC)c1 ZINC000601958730 567886471 /nfs/dbraw/zinc/88/64/71/567886471.db2.gz NZMUSMQTNVZAJX-GOSISDBHSA-N 0 3 374.481 2.249 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000602552440 567990887 /nfs/dbraw/zinc/99/08/87/567990887.db2.gz WVUWICAXVXXEOO-MSOLQXFVSA-N 0 3 371.481 2.355 20 30 FEEDHN CN(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602583904 567994096 /nfs/dbraw/zinc/99/40/96/567994096.db2.gz VLVVMYMWWCAFAK-CABCVRRESA-N 0 3 356.392 2.445 20 30 FEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(c2ccncc2)CC1 ZINC000602845392 568000022 /nfs/dbraw/zinc/00/00/22/568000022.db2.gz JIXQUEFXCBDRRZ-QGZVFWFLSA-N 0 3 355.486 2.325 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cc(CCN(C)C)nn1 ZINC000603214789 568076615 /nfs/dbraw/zinc/07/66/15/568076615.db2.gz DVIIWBCUVBPPAA-CQSZACIVSA-N 0 3 372.498 2.273 20 30 FEEDHN CCOc1ccc(OC[C@H](O)CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000569111920 568278030 /nfs/dbraw/zinc/27/80/30/568278030.db2.gz DWSHCFMRYMTCTK-QGZVFWFLSA-N 0 3 356.422 2.495 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000556818672 674422195 /nfs/dbraw/zinc/42/21/95/674422195.db2.gz JFXZUYRKIMWCOE-CJNGLKHVSA-N 0 3 351.447 2.086 20 30 FEEDHN N#CC(C(=O)C[C@H]1CCCC(=O)N1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000808980122 674476927 /nfs/dbraw/zinc/47/69/27/674476927.db2.gz UJRGWSXVZCBNNF-KOLCDFICSA-N 0 3 351.765 2.185 20 30 FEEDHN C#Cc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000809628030 674501806 /nfs/dbraw/zinc/50/18/06/674501806.db2.gz NNRVOJQBWMFQKD-UHFFFAOYSA-N 0 3 354.884 2.451 20 30 FEEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)C(C)C ZINC000819740258 606533271 /nfs/dbraw/zinc/53/32/71/606533271.db2.gz WOBQIPZKQLXAJA-AWEZNQCLSA-N 0 3 360.487 2.357 20 30 FEEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)cs1)C(C)C ZINC000819740258 606533273 /nfs/dbraw/zinc/53/32/73/606533273.db2.gz WOBQIPZKQLXAJA-AWEZNQCLSA-N 0 3 360.487 2.357 20 30 FEEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819740222 606559136 /nfs/dbraw/zinc/55/91/36/606559136.db2.gz UUWBXDVSYVOLPZ-SFHVURJKSA-N 0 3 368.485 2.224 20 30 FEEDHN Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[NH+]1CCC(CC#N)CC1 ZINC000826334592 609374014 /nfs/dbraw/zinc/37/40/14/609374014.db2.gz BCKLCGGDZRCLPF-UHFFFAOYSA-N 0 3 363.429 2.017 20 30 FEEDHN C[C@@H]1C(N=Nc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 ZINC000811628840 674617323 /nfs/dbraw/zinc/61/73/23/674617323.db2.gz NOSXHWSBUMXUHI-CQSZACIVSA-N 0 3 358.467 2.396 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811890654 674636100 /nfs/dbraw/zinc/63/61/00/674636100.db2.gz XFJFLBXKHGAHOJ-YJBOKZPZSA-N 0 3 362.905 2.197 20 30 FEEDHN C#C[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811890652 674636340 /nfs/dbraw/zinc/63/63/40/674636340.db2.gz XFJFLBXKHGAHOJ-MAUKXSAKSA-N 0 3 362.905 2.197 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)cc1C#N ZINC000813651592 674765263 /nfs/dbraw/zinc/76/52/63/674765263.db2.gz YKLFSGAXNIMDDH-SFHVURJKSA-N 0 3 364.515 2.297 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)CC1 ZINC000091048718 670716964 /nfs/dbraw/zinc/71/69/64/670716964.db2.gz PSFPOHTUESXBGA-MRXNPFEDSA-N 0 3 360.376 2.495 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116591791 670906613 /nfs/dbraw/zinc/90/66/13/670906613.db2.gz QJXJAERTCVTYFR-RWMBFGLXSA-N 0 3 350.365 2.320 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2nc(C(C)C)c(C)s2)CC1 ZINC000573863543 671174639 /nfs/dbraw/zinc/17/46/39/671174639.db2.gz SFYPOKMSPANWNO-UHFFFAOYSA-N 0 3 350.488 2.280 20 30 FEEDHN CCC(CC)[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CCO1 ZINC000577099576 671416540 /nfs/dbraw/zinc/41/65/40/671416540.db2.gz DPRBJSSOISJIFW-SJORKVTESA-N 0 3 365.499 2.300 20 30 FEEDHN CC[S@](=O)[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000578350567 671658904 /nfs/dbraw/zinc/65/89/04/671658904.db2.gz QJICDPSPXVSRAY-SYJLOODJSA-N 0 3 368.524 2.001 20 30 FEEDHN CCc1nc(CC(=O)C(C#N)C(=O)NCc2ccc(OC)cc2)cs1 ZINC000121430380 671949057 /nfs/dbraw/zinc/94/90/57/671949057.db2.gz UEOVGUJSHHGEIS-HNNXBMFYSA-N 0 3 357.435 2.282 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000124990362 672004809 /nfs/dbraw/zinc/00/48/09/672004809.db2.gz QWTHBTBJXZMMPG-JSGCOSHPSA-N 0 3 352.818 2.277 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000582961738 672050201 /nfs/dbraw/zinc/05/02/01/672050201.db2.gz BDZGPTPWPMBBSA-OCCSQVGLSA-N 0 3 365.275 2.165 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(CCO)CCCCC2)cc1 ZINC000584292119 672174275 /nfs/dbraw/zinc/17/42/75/672174275.db2.gz UVMXLDIVURFHSY-UHFFFAOYSA-N 0 3 350.484 2.254 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000161297207 672296748 /nfs/dbraw/zinc/29/67/48/672296748.db2.gz CDXLQNJNZXJQSX-UHFFFAOYSA-N 0 3 359.901 2.329 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Br)s1 ZINC000173938479 672355911 /nfs/dbraw/zinc/35/59/11/672355911.db2.gz XIMWCCXZLSRBMX-NXEZZACHSA-N 0 3 373.272 2.476 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)c(Cl)c1 ZINC000183518002 672470706 /nfs/dbraw/zinc/47/07/06/672470706.db2.gz PHPAZIMNVWMFDT-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)[C@H]2C1 ZINC000590278489 672569717 /nfs/dbraw/zinc/56/97/17/672569717.db2.gz LGEHGXVICQYBSZ-RISCZKNCSA-N 0 3 360.483 2.018 20 30 FEEDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000590753038 672610615 /nfs/dbraw/zinc/61/06/15/672610615.db2.gz ZBJQYIHPRWGUQH-SUHUHFCYSA-N 0 3 361.467 2.367 20 30 FEEDHN N#CC[C@]1(O)CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000592145918 672763698 /nfs/dbraw/zinc/76/36/98/672763698.db2.gz BGRNXVXZLCGUEB-HNNXBMFYSA-N 0 3 370.222 2.267 20 30 FEEDHN N#CC(C(=O)c1cnn(CC(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000682499681 672765400 /nfs/dbraw/zinc/76/54/00/672765400.db2.gz XZKPSTTUVKXSII-NSHDSACASA-N 0 3 352.320 2.253 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000685521193 673019206 /nfs/dbraw/zinc/01/92/06/673019206.db2.gz ZGDFSRJQISHYJT-INIZCTEOSA-N 0 3 363.527 2.499 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000594432233 673071200 /nfs/dbraw/zinc/07/12/00/673071200.db2.gz ZYRRBDABCQJPLW-INIZCTEOSA-N 0 3 360.483 2.225 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000594445462 673072828 /nfs/dbraw/zinc/07/28/28/673072828.db2.gz GFTQYTREBFDHNX-AWEZNQCLSA-N 0 3 357.483 2.356 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000594444838 673072853 /nfs/dbraw/zinc/07/28/53/673072853.db2.gz DFSLKYATJVXXLC-LSDHHAIUSA-N 0 3 366.824 2.112 20 30 FEEDHN Cc1ccc(CNC(=O)[C@H](N)CCCCC#N)c(-n2cc(Cl)cn2)n1 ZINC000594445323 673072920 /nfs/dbraw/zinc/07/29/20/673072920.db2.gz JHTWZSXBCYNNCN-OAHLLOKOSA-N 0 3 360.849 2.257 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCOc2cccc(Br)c2C1 ZINC000594452548 673074406 /nfs/dbraw/zinc/07/44/06/673074406.db2.gz OOTBGPOFDWLYBJ-ZDUSSCGKSA-N 0 3 352.232 2.191 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000595256006 673214029 /nfs/dbraw/zinc/21/40/29/673214029.db2.gz IQRBPDZPWRQPDS-LSDHHAIUSA-N 0 3 366.259 2.370 20 30 FEEDHN CCS(=O)(=O)N1CCC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000729068772 673221082 /nfs/dbraw/zinc/22/10/82/673221082.db2.gz FLEXLOQZIWNXCA-OLZOCXBDSA-N 0 3 361.423 2.066 20 30 FEEDHN N#CC(C(=O)Cn1c2ccccc2nc1C(F)(F)F)C(=O)NC1CC1 ZINC000729889795 673252157 /nfs/dbraw/zinc/25/21/57/673252157.db2.gz SSKKJZZBEUIDCZ-JTQLQIEISA-N 0 3 350.300 2.043 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)COC[C@@H]2CCCO2)cc1Cl ZINC000733679424 673431264 /nfs/dbraw/zinc/43/12/64/673431264.db2.gz HEMGUCJXGKNIBN-STQMWFEESA-N 0 3 366.801 2.192 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)COC2CCOCC2)cc1Cl ZINC000735397296 673492936 /nfs/dbraw/zinc/49/29/36/673492936.db2.gz BKNFRUGUPQOMFE-ZDUSSCGKSA-N 0 3 366.801 2.192 20 30 FEEDHN N#Cc1ccc2c(c1)CCN2C(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000597778001 673505942 /nfs/dbraw/zinc/50/59/42/673505942.db2.gz TXDRSLRPUFONKE-UONOGXRCSA-N 0 3 354.328 2.431 20 30 FEEDHN CCN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCN(C)C1 ZINC000597944657 673522384 /nfs/dbraw/zinc/52/23/84/673522384.db2.gz DHJGUZIPANCJJU-OAHLLOKOSA-N 0 3 350.260 2.416 20 30 FEEDHN CC[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H](C)N1 ZINC000598530964 673579699 /nfs/dbraw/zinc/57/96/99/673579699.db2.gz BMQLHRCKSWBICA-NWDGAFQWSA-N 0 3 366.259 2.298 20 30 FEEDHN CCN(CC)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccco1 ZINC000742397063 673726399 /nfs/dbraw/zinc/72/63/99/673726399.db2.gz JYFOANSXDJBHMS-INIZCTEOSA-N 0 3 362.455 2.294 20 30 FEEDHN CCN(CC)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccco1 ZINC000742397066 673726548 /nfs/dbraw/zinc/72/65/48/673726548.db2.gz JYFOANSXDJBHMS-MRXNPFEDSA-N 0 3 362.455 2.294 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)ccc1Cl ZINC000600064341 673737992 /nfs/dbraw/zinc/73/79/92/673737992.db2.gz RQDSNDRLUDHNLN-HNNXBMFYSA-N 0 3 360.845 2.283 20 30 FEEDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000601421058 673859676 /nfs/dbraw/zinc/85/96/76/673859676.db2.gz HYWRIRFPISHWSI-HZMBPMFUSA-N 0 3 372.288 2.034 20 30 FEEDHN CC(C)[C@H](CNc1cc(C#N)c(Br)cn1)N1CCN(C)CC1 ZINC000603270524 673920443 /nfs/dbraw/zinc/92/04/43/673920443.db2.gz JYEBZBQYJKCFOW-HNNXBMFYSA-N 0 3 366.307 2.400 20 30 FEEDHN N#Cc1cc(NC2CCN([C@@H]3CCOC3)CC2)ncc1Br ZINC000603316028 673924720 /nfs/dbraw/zinc/92/47/20/673924720.db2.gz CACZTVABPGHNLU-CYBMUJFWSA-N 0 3 351.248 2.381 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1nc(Br)sc1C1CC1 ZINC000818602730 675227768 /nfs/dbraw/zinc/22/77/68/675227768.db2.gz AYFMCDNDAHDXNT-UHFFFAOYSA-N 0 3 356.289 2.468 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(I)ccc1C ZINC000818606453 675228091 /nfs/dbraw/zinc/22/80/91/675228091.db2.gz UGPCMVWZUKFEBC-UHFFFAOYSA-N 0 3 370.234 2.285 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC000818609391 675228479 /nfs/dbraw/zinc/22/84/79/675228479.db2.gz SQPXIBDHHABHDC-CVEARBPZSA-N 0 3 351.491 2.093 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000819198903 675269160 /nfs/dbraw/zinc/26/91/60/675269160.db2.gz VOMXNDVIHNDOJC-OWCLPIDISA-N 0 3 368.549 2.301 20 30 FEEDHN C#CCNC(=O)CCN[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000819257959 675274737 /nfs/dbraw/zinc/27/47/37/675274737.db2.gz GGPIOCSOJYYCLA-CQSZACIVSA-N 0 3 368.264 2.218 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CNC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000567680234 675311844 /nfs/dbraw/zinc/31/18/44/675311844.db2.gz UGDWSPQSWAVDDR-LPHOPBHVSA-N 0 3 364.921 2.273 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](C)NC2CC2)nc1C ZINC000826531930 675690614 /nfs/dbraw/zinc/69/06/14/675690614.db2.gz PYTUQRJEDZZZMQ-SECBINFHSA-N 0 3 364.500 2.264 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](N)CC(F)F)nc1C ZINC000826531955 675690623 /nfs/dbraw/zinc/69/06/23/675690623.db2.gz QCZMEBPUUFOJCG-SSDOTTSWSA-N 0 3 374.442 2.106 20 30 FEEDHN N#C[C@]1(F)CCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000619385347 676374517 /nfs/dbraw/zinc/37/45/17/676374517.db2.gz AJWXGXPEJNWUTN-SSDMNJCBSA-N 0 3 362.371 2.439 20 30 FEEDHN CC#CC[C@@H](CO)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000646250665 677281422 /nfs/dbraw/zinc/28/14/22/677281422.db2.gz HDEAEOBQUYADCH-SFHVURJKSA-N 0 3 361.511 2.174 20 30 FEEDHN [NH3+]C[C@H]([N-]C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000655914082 677672300 /nfs/dbraw/zinc/67/23/00/677672300.db2.gz CJGGYOGUCTUYSC-YFKPBYRVSA-N 0 3 361.208 2.402 20 30 FEEDHN C=C(Cl)COc1ccc([C@H](C)NCC(=O)N2CCN(C)CC2)cc1 ZINC000765415872 680841514 /nfs/dbraw/zinc/84/15/14/680841514.db2.gz DOZABPXONRHQKO-HNNXBMFYSA-N 0 3 351.878 2.243 20 30 FEEDHN C=CCNC(=O)CN1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832250029 680115951 /nfs/dbraw/zinc/11/59/51/680115951.db2.gz DKJWCKHBIVSDKN-CVEARBPZSA-N 0 3 351.491 2.258 20 30 FEEDHN COC(=O)[C@@]1(F)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000752309901 680235488 /nfs/dbraw/zinc/23/54/88/680235488.db2.gz OAJHULYZZORPLE-APPDUMDISA-N 0 3 361.398 2.060 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(CCc2csc(C)n2)C1 ZINC001023599598 680265143 /nfs/dbraw/zinc/26/51/43/680265143.db2.gz ORSLJZKDJJRXKF-NXHRZFHOSA-N 0 3 363.527 2.413 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000835071789 680293300 /nfs/dbraw/zinc/29/33/00/680293300.db2.gz WBJNGFIOLUDGMS-MGPQQGTHSA-N 0 3 354.328 2.261 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC[C@H]3CC3(Cl)Cl)C[C@H]21 ZINC001026056826 680340453 /nfs/dbraw/zinc/34/04/53/680340453.db2.gz DRPYDDNZHODGKH-ZLCQRPCESA-N 0 3 359.297 2.208 20 30 FEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC000998916115 680391347 /nfs/dbraw/zinc/39/13/47/680391347.db2.gz UOSKOXCRHHIQOZ-OCUYMYNFSA-N 0 3 366.893 2.312 20 30 FEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000998930285 680391794 /nfs/dbraw/zinc/39/17/94/680391794.db2.gz QBIYKUFOHBVVSC-FIYWTHMPSA-N 0 3 353.264 2.001 20 30 FEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000999425749 680403113 /nfs/dbraw/zinc/40/31/13/680403113.db2.gz HWEFKCLDZFWSJX-NWINJMCUSA-N 0 3 367.291 2.011 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CCN(CCOC2CCC2)C1 ZINC001033836755 680425690 /nfs/dbraw/zinc/42/56/90/680425690.db2.gz JJRCIJUXNABYAZ-UHOSZYNNSA-N 0 3 350.503 2.460 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000836258577 680442177 /nfs/dbraw/zinc/44/21/77/680442177.db2.gz RHRFFPNMRXXCGL-INIZCTEOSA-N 0 3 362.905 2.421 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1CCCC1CCOCC1 ZINC001038807957 680461734 /nfs/dbraw/zinc/46/17/34/680461734.db2.gz NRWKUYSESLAABW-FHWLQOOXSA-N 0 3 350.503 2.365 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CCN(Cc3scnc3C)C2)C1 ZINC001041696820 680508939 /nfs/dbraw/zinc/50/89/39/680508939.db2.gz WLLQLWYODSXPRP-GJYPPUQNSA-N 0 3 361.511 2.467 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043511863 680584875 /nfs/dbraw/zinc/58/48/75/680584875.db2.gz LGFYIGPXSIMDGK-NTZNESFSSA-N 0 3 367.906 2.411 20 30 FEEDHN CNC(=O)C(C#N)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000774057247 681166511 /nfs/dbraw/zinc/16/65/11/681166511.db2.gz XPBAVLORWPLVPO-LBPRGKRZSA-N 0 3 351.200 2.257 20 30 FEEDHN Cc1cc(Br)cc(CNCCNC(=O)C2N=CC=CC2=O)c1 ZINC000774992580 681263816 /nfs/dbraw/zinc/26/38/16/681263816.db2.gz QHPNWBGAVKZLFF-NXVVXOECSA-N 0 3 364.243 2.374 20 30 FEEDHN CC[C@H]1C(=O)NCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000933227598 681378082 /nfs/dbraw/zinc/37/80/82/681378082.db2.gz MRHBOHRZVQBIER-OCCSQVGLSA-N 0 3 356.451 2.073 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCOC[C@@H]2OCCOC)c([O-])c1 ZINC000776721627 681430036 /nfs/dbraw/zinc/43/00/36/681430036.db2.gz INRBYJNQJSCKMR-HUGLALDMSA-N 0 3 350.459 2.478 20 30 FEEDHN C#CCOc1cccc(Cl)c1CNC1CCN(S(=O)(=O)CC)CC1 ZINC000778155506 681581018 /nfs/dbraw/zinc/58/10/18/681581018.db2.gz AOJIKJFVJMIQKQ-UHFFFAOYSA-N 0 3 370.902 2.256 20 30 FEEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000778176284 681582994 /nfs/dbraw/zinc/58/29/94/681582994.db2.gz HVCAYRLCBFLXJV-CJNGLKHVSA-N 0 3 370.902 2.160 20 30 FEEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H]4C[C@@]4(CO)C3)sc2C1 ZINC000782602259 682062968 /nfs/dbraw/zinc/06/29/68/682062968.db2.gz AGNLFEARLVPGFD-VPZZIHKRSA-N 0 3 359.495 2.387 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000783536294 682150782 /nfs/dbraw/zinc/15/07/82/682150782.db2.gz KLFCZBSBKDDSIC-LSDHHAIUSA-N 0 3 360.520 2.355 20 30 FEEDHN COC[C@@H](C#N)OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000785227096 682281340 /nfs/dbraw/zinc/28/13/40/682281340.db2.gz ADWHJUXJMJBECP-MNOVXSKESA-N 0 3 357.193 2.428 20 30 FEEDHN C#CCCN(CCOC)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000852748579 682335267 /nfs/dbraw/zinc/33/52/67/682335267.db2.gz DNWMINFWAJQLRH-OAHLLOKOSA-N 0 3 374.250 2.300 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC000972640152 682427314 /nfs/dbraw/zinc/42/73/14/682427314.db2.gz IRBXGCMXFVVOSS-HUUCEWRRSA-N 0 3 367.921 2.309 20 30 FEEDHN CCC(=O)N[C@H](CCSC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792101685 682788812 /nfs/dbraw/zinc/78/88/12/682788812.db2.gz TWEJFZASFNAVAM-IUODEOHRSA-N 0 3 356.451 2.454 20 30 FEEDHN C#CCN(C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)O1)C1CCN(C)CC1 ZINC000926402609 683120822 /nfs/dbraw/zinc/12/08/22/683120822.db2.gz JSNRGBYQLZCPOX-HUUCEWRRSA-N 0 3 361.408 2.225 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H]2CCC(F)(F)C2)cc1 ZINC000796648823 683181300 /nfs/dbraw/zinc/18/13/00/683181300.db2.gz FFPAFIWZPBDVDR-DZGCQCFKSA-N 0 3 350.365 2.498 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnn2c1OCCC2 ZINC000796746595 683192143 /nfs/dbraw/zinc/19/21/43/683192143.db2.gz NYJSXHZSGWUZNC-JTQLQIEISA-N 0 3 362.748 2.419 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N1CCCC2(CCN(C)CC2)C1 ZINC000798466160 683353521 /nfs/dbraw/zinc/35/35/21/683353521.db2.gz GZNDGXTUECCKFK-UHFFFAOYSA-N 0 3 363.483 2.063 20 30 FEEDHN C#Cc1ccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000930454474 683736128 /nfs/dbraw/zinc/73/61/28/683736128.db2.gz XPCHMGVUQJNTGM-GOEBONIOSA-N 0 3 354.372 2.489 20 30 FEEDHN CC1(C)CCNCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000866804501 684156467 /nfs/dbraw/zinc/15/64/67/684156467.db2.gz YXDVQFORNKYREQ-UHFFFAOYSA-N 0 3 361.389 2.340 20 30 FEEDHN COC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(Br)c1 ZINC000868024097 684440486 /nfs/dbraw/zinc/44/04/86/684440486.db2.gz HBKMNVCYPMVSKQ-UONOGXRCSA-N 0 3 354.248 2.274 20 30 FEEDHN CSc1ccc(CN2C(=O)N[C@@H](CN3CCCCC3)C2=O)cc1C#N ZINC000925120061 684525436 /nfs/dbraw/zinc/52/54/36/684525436.db2.gz VGIGXESYIAAMEX-HNNXBMFYSA-N 0 3 358.467 2.186 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000870135659 684687084 /nfs/dbraw/zinc/68/70/84/684687084.db2.gz BJRIHXONLIDCRN-PEYYIBSZSA-N 0 3 350.802 2.429 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000871008354 684779554 /nfs/dbraw/zinc/77/95/54/684779554.db2.gz RZAXCHBWMNZAGF-SMDDNHRTSA-N 0 3 366.259 2.280 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000876672947 686240586 /nfs/dbraw/zinc/24/05/86/686240586.db2.gz SNLWPZXYSOYFDO-LBPRGKRZSA-N 0 3 350.785 2.087 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000876727251 686254414 /nfs/dbraw/zinc/25/44/14/686254414.db2.gz GEGCGCCRLXBTPN-CQSZACIVSA-N 0 3 350.850 2.037 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000876746165 686259352 /nfs/dbraw/zinc/25/93/52/686259352.db2.gz UUPFNVYJDJOMSJ-ZDUSSCGKSA-N 0 3 361.833 2.308 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000876886469 686287645 /nfs/dbraw/zinc/28/76/45/686287645.db2.gz XRWYZBYAZZQXMN-OAHLLOKOSA-N 0 3 350.850 2.141 20 30 FEEDHN C=CC[C@H](CO)CNCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877129913 686330263 /nfs/dbraw/zinc/33/02/63/686330263.db2.gz GSTBRXUKJDSOFK-ZDUSSCGKSA-N 0 3 351.447 2.283 20 30 FEEDHN N#CCOc1ccc(Cl)cc1Cn1cc([C@@H](N)C2CCOCC2)nn1 ZINC000881302164 687123051 /nfs/dbraw/zinc/12/30/51/687123051.db2.gz NBXJGKODBFZDEN-KRWDZBQOSA-N 0 3 361.833 2.309 20 30 FEEDHN C=CCCc1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC000882417791 687364203 /nfs/dbraw/zinc/36/42/03/687364203.db2.gz BYDQMAKTIHLVTP-GOSISDBHSA-N 0 3 364.511 2.025 20 30 FEEDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884061972 687781694 /nfs/dbraw/zinc/78/16/94/687781694.db2.gz ARUCBFPEABLPNT-JZLYGMAVSA-N 0 3 362.817 2.346 20 30 FEEDHN CN(C)C(=O)c1cc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)ccc1Cl ZINC000884077493 687784786 /nfs/dbraw/zinc/78/47/86/687784786.db2.gz NJJXRYVJEWGKFP-LASWEOPPSA-N 0 3 360.845 2.120 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccc(Br)c(F)c1)C2 ZINC000884108475 687791293 /nfs/dbraw/zinc/79/12/93/687791293.db2.gz CJZJITBWBOMUQF-BWBHSNQOSA-N 0 3 366.234 2.344 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCO[C@H](c3cccc(Cl)c3)C1)C2 ZINC000884316402 687845977 /nfs/dbraw/zinc/84/59/77/687845977.db2.gz RGHFIXXKWMCGMW-QZDWLRDRSA-N 0 3 359.857 2.379 20 30 FEEDHN COc1cc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)ccc1OC(F)F ZINC000884415210 687866969 /nfs/dbraw/zinc/86/69/69/687866969.db2.gz NVYURIFKFJIEMQ-GCULGPDHSA-N 0 3 351.353 2.374 20 30 FEEDHN C#CCN(C(=O)c1cnc(F)c(Br)c1)C1CCN(C)CC1 ZINC000886574458 688278122 /nfs/dbraw/zinc/27/81/22/688278122.db2.gz HEOUDRPVTFORAJ-UHFFFAOYSA-N 0 3 354.223 2.153 20 30 FEEDHN C#CCSCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000889198213 688744266 /nfs/dbraw/zinc/74/42/66/688744266.db2.gz JRHZFBNBKRIHDH-QGZVFWFLSA-N 0 3 359.495 2.158 20 30 FEEDHN N#Cc1csc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000892019852 689141516 /nfs/dbraw/zinc/14/15/16/689141516.db2.gz OMCYKCZFNGRXLW-OAHLLOKOSA-N 0 3 355.467 2.479 20 30 FEEDHN C#CCN(C(=O)CN(CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899271057 690328369 /nfs/dbraw/zinc/32/83/69/690328369.db2.gz SSXAHMWKEYAZBZ-UHFFFAOYSA-N 0 3 351.491 2.190 20 30 FEEDHN C=C(CNC[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1 ZINC000905262134 691091091 /nfs/dbraw/zinc/09/10/91/691091091.db2.gz OGYYINYJDDZYOJ-KRWDZBQOSA-N 0 3 366.527 2.291 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@]2(C)C1 ZINC000907554652 691518371 /nfs/dbraw/zinc/51/83/71/691518371.db2.gz PBCNKXPNQMSUBQ-HIFRSBDPSA-N 0 3 373.400 2.149 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccsc1C#N ZINC000907554780 691518408 /nfs/dbraw/zinc/51/84/08/691518408.db2.gz QUNLHDXOEVZZTL-LJQANCHMSA-N 0 3 355.463 2.329 20 30 FEEDHN Cc1nc(C#N)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912100 721548543 /nfs/dbraw/zinc/54/85/43/721548543.db2.gz YRRJPMHAWFGNQU-WMZOPIPTSA-N 0 3 353.401 2.138 20 30 FEEDHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1C#N ZINC001164981573 722111292 /nfs/dbraw/zinc/11/12/92/722111292.db2.gz UNSHLMWLUDIQAT-UYAOXDASSA-N 0 3 363.465 2.384 20 30 FEEDHN N#CC(C(=O)COc1ccsc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000800410027 674049897 /nfs/dbraw/zinc/04/98/97/674049897.db2.gz SCSWSEUYIAYGHL-CQSZACIVSA-N 0 3 359.363 2.060 20 30 FEEDHN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN(C)C)cc2)c1 ZINC000029952752 539869686 /nfs/dbraw/zinc/86/96/86/539869686.db2.gz AJPGWNPIPGUJNU-UHFFFAOYSA-N 0 3 373.478 2.465 20 30 FEEDHN Cc1ccccc1CN1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000030153923 539874722 /nfs/dbraw/zinc/87/47/22/539874722.db2.gz WFHHPVMOPWLNEM-NRFANRHFSA-N 0 3 354.498 2.311 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)N1CCC[C@H](C)C1 ZINC000041655015 540029424 /nfs/dbraw/zinc/02/94/24/540029424.db2.gz HRRRLWPMNGNYJJ-STQMWFEESA-N 0 3 362.861 2.387 20 30 FEEDHN N#Cc1ccc(CN2CCN(C(=O)NC3CCN(C4CC4)CC3)CC2)cc1 ZINC000045410461 540212118 /nfs/dbraw/zinc/21/21/18/540212118.db2.gz OAGXOUGAPOAFOR-UHFFFAOYSA-N 0 3 367.497 2.012 20 30 FEEDHN Cc1c([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1C ZINC000047006353 540284129 /nfs/dbraw/zinc/28/41/29/540284129.db2.gz ZFCDAFIXLHRSSB-HNNXBMFYSA-N 0 3 368.485 2.435 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nc2nc(C)cc(C)n2n1)C(C)C ZINC000047852015 540330681 /nfs/dbraw/zinc/33/06/81/540330681.db2.gz GTEMUFKIWQYYNI-MRXNPFEDSA-N 0 3 356.474 2.170 20 30 FEEDHN C[C@H]1CCCCN1Cc1ccccc1CNS(=O)(=O)N(C)CCC#N ZINC000056064619 540698864 /nfs/dbraw/zinc/69/88/64/540698864.db2.gz YEUYABWIZWHSPR-INIZCTEOSA-N 0 3 364.515 2.241 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](c2nccn2C)c2ccccc2F)CC1 ZINC000057154071 540773578 /nfs/dbraw/zinc/77/35/78/540773578.db2.gz ZXSIPRBUBINVPB-GOSISDBHSA-N 0 3 354.429 2.110 20 30 FEEDHN CCN1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000541102821 541150866 /nfs/dbraw/zinc/15/08/66/541150866.db2.gz JGLYQTASTFZASX-UHFFFAOYSA-N 0 3 356.405 2.443 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000063829402 541187367 /nfs/dbraw/zinc/18/73/67/541187367.db2.gz PRWTXQRCTQRBAF-UHFFFAOYSA-N 0 3 366.465 2.391 20 30 FEEDHN N#Cc1ccc(CN(CCC(=O)NC(N)=O)Cc2cccc(F)c2)cc1 ZINC000064620914 541212807 /nfs/dbraw/zinc/21/28/07/541212807.db2.gz ZHPXRHZLUFYEAU-UHFFFAOYSA-N 0 3 354.385 2.285 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)CC1 ZINC000067142654 541424196 /nfs/dbraw/zinc/42/41/96/541424196.db2.gz OFVZQRKREYDXBN-UHFFFAOYSA-N 0 3 368.481 2.060 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOC[C@H]1CCCO1 ZINC000068310180 541575031 /nfs/dbraw/zinc/57/50/31/541575031.db2.gz OFMUPQQPNSCWQG-LJQANCHMSA-N 0 3 359.470 2.034 20 30 FEEDHN C[C@@H](OC[C@H]1CCCCO1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000069354572 541680187 /nfs/dbraw/zinc/68/01/87/541680187.db2.gz CMIOLGWCTRMLGU-YLJYHZDGSA-N 0 3 373.497 2.423 20 30 FEEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000072990045 541905743 /nfs/dbraw/zinc/90/57/43/541905743.db2.gz CHDZMCHOHSKEGE-UHFFFAOYSA-N 0 3 362.842 2.118 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000074130170 542040676 /nfs/dbraw/zinc/04/06/76/542040676.db2.gz UBLPBDBNFFZEEI-LJQANCHMSA-N 0 3 370.497 2.474 20 30 FEEDHN CN(CC(=O)N(CCC#N)CCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000074322129 542069550 /nfs/dbraw/zinc/06/95/50/542069550.db2.gz QDNRXHVXRBDVIV-UHFFFAOYSA-N 0 3 367.497 2.239 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3CCCN(C(C)C)CC3)cc2C1=O ZINC000075693974 542199008 /nfs/dbraw/zinc/19/90/08/542199008.db2.gz UEVJOOVDMLXZNT-UHFFFAOYSA-N 0 3 355.438 2.025 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)CC1 ZINC000076141461 542236464 /nfs/dbraw/zinc/23/64/64/542236464.db2.gz ADASOKOMJQHCTA-KRWDZBQOSA-N 0 3 367.453 2.290 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077541726 542395207 /nfs/dbraw/zinc/39/52/07/542395207.db2.gz GWKSKWZNAZMXME-HZSPNIEDSA-N 0 3 360.433 2.118 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)CC1 ZINC000078331670 542455501 /nfs/dbraw/zinc/45/55/01/542455501.db2.gz UWANISDWPJZQAR-LJQANCHMSA-N 0 3 365.518 2.397 20 30 FEEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801959045 674157127 /nfs/dbraw/zinc/15/71/27/674157127.db2.gz FXKHXBFSPFAGRR-JCURWCKSSA-N 0 3 351.853 2.342 20 30 FEEDHN CCN1CCN(CCCCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000081725005 542673855 /nfs/dbraw/zinc/67/38/55/542673855.db2.gz WCBFNMQIPHRCKZ-VQTJNVASSA-N 0 3 354.498 2.196 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CC1 ZINC000089300231 542760042 /nfs/dbraw/zinc/76/00/42/542760042.db2.gz PYQWXXBHDWQFHR-UHFFFAOYSA-N 0 3 351.472 2.170 20 30 FEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000090116550 542782467 /nfs/dbraw/zinc/78/24/67/542782467.db2.gz KCPJRBZZFBWWMM-CRAIPNDOSA-N 0 3 352.438 2.278 20 30 FEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000090171892 542783922 /nfs/dbraw/zinc/78/39/22/542783922.db2.gz JWPAVFHRJPZSAF-MAUKXSAKSA-N 0 3 352.438 2.197 20 30 FEEDHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000091229321 542799898 /nfs/dbraw/zinc/79/98/98/542799898.db2.gz UQQQYTFEZPSXPZ-INIZCTEOSA-N 0 3 374.489 2.045 20 30 FEEDHN C=CCN(CCc1ccccc1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000092505678 542867164 /nfs/dbraw/zinc/86/71/64/542867164.db2.gz UHXHOYBESYTAKZ-UHFFFAOYSA-N 0 3 351.498 2.459 20 30 FEEDHN CC(C)C(=O)NC[C@@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000101911686 543049267 /nfs/dbraw/zinc/04/92/67/543049267.db2.gz GNODLBMDMCMBOP-KRWDZBQOSA-N 0 3 356.470 2.371 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000103163854 543095677 /nfs/dbraw/zinc/09/56/77/543095677.db2.gz AHKRMMJRWYPCGK-IBGZPJMESA-N 0 3 369.490 2.401 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)CC1 ZINC000106037111 543186113 /nfs/dbraw/zinc/18/61/13/543186113.db2.gz AYKKEZLASFVLII-HXUWFJFHSA-N 0 3 355.482 2.117 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000106036885 543186228 /nfs/dbraw/zinc/18/62/28/543186228.db2.gz UETNZWDFHGTWJE-MRXNPFEDSA-N 0 3 371.481 2.205 20 30 FEEDHN Cn1ccnc1CC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000106164621 543210907 /nfs/dbraw/zinc/21/09/07/543210907.db2.gz PQXCMWUFZBTYEQ-LJQANCHMSA-N 0 3 363.465 2.352 20 30 FEEDHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000106867803 543251658 /nfs/dbraw/zinc/25/16/58/543251658.db2.gz RFZXCHVRLCRESI-OAHLLOKOSA-N 0 3 358.442 2.486 20 30 FEEDHN CN1CCN(CCCNC(=O)c2ccc(C#N)cn2)[C@H](c2ccccc2)C1 ZINC000107551385 543272223 /nfs/dbraw/zinc/27/22/23/543272223.db2.gz WSRIZKJWPBUHMY-FQEVSTJZSA-N 0 3 363.465 2.062 20 30 FEEDHN Cc1ccc(-c2n[nH]cc2CNCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000113360822 543484544 /nfs/dbraw/zinc/48/45/44/543484544.db2.gz UQWPCYCUEFNDPA-HNENSFHCSA-N 0 3 351.410 2.001 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(Br)c1 ZINC000113498111 543488883 /nfs/dbraw/zinc/48/88/83/543488883.db2.gz ORCZIEDQAVXTEZ-QMMMGPOBSA-N 0 3 352.275 2.116 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000113498445 543489380 /nfs/dbraw/zinc/48/93/80/543489380.db2.gz BMFDEBVKPDXGBO-SNVBAGLBSA-N 0 3 370.377 2.225 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@@H](O)COC)cc1OC ZINC000117946660 543642403 /nfs/dbraw/zinc/64/24/03/543642403.db2.gz HXIYKROKLBITEA-GFCCVEGCSA-N 0 3 360.248 2.119 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123288782 543752867 /nfs/dbraw/zinc/75/28/67/543752867.db2.gz QGTFLOYDWFXLTF-DYVFJYSZSA-N 0 3 368.485 2.092 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CC1 ZINC000124890676 543849217 /nfs/dbraw/zinc/84/92/17/543849217.db2.gz WZZOCZJXMBFOIJ-WDSOQIARSA-N 0 3 369.513 2.381 20 30 FEEDHN CN1CCN([C@H]2CCCCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000126281144 543927776 /nfs/dbraw/zinc/92/77/76/543927776.db2.gz GLSMIXRLZZQBIB-KRWDZBQOSA-N 0 3 359.449 2.331 20 30 FEEDHN CCCNC(=O)C1(NC[C@H](O)COc2ccc(CC#N)cc2)CCCCC1 ZINC000127134461 543974817 /nfs/dbraw/zinc/97/48/17/543974817.db2.gz IOFMEYYAOXPUPA-SFHVURJKSA-N 0 3 373.497 2.311 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn2ccsc2n1 ZINC000129883044 544130549 /nfs/dbraw/zinc/13/05/49/544130549.db2.gz DTGGESYOOHFCIX-UHFFFAOYSA-N 0 3 367.478 2.400 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000130672741 544160525 /nfs/dbraw/zinc/16/05/25/544160525.db2.gz SRRUXGAPDFVRFG-BPQIPLTHSA-N 0 3 356.470 2.264 20 30 FEEDHN CC(C)(C#N)c1ccccc1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000135186140 544337542 /nfs/dbraw/zinc/33/75/42/544337542.db2.gz HNXZEAIDTYGHLS-UHFFFAOYSA-N 0 3 354.498 2.228 20 30 FEEDHN C[N@H+](CCC[N-]S(=O)(=O)c1ccc(C#N)cc1F)Cc1ccccc1 ZINC000151029480 544497688 /nfs/dbraw/zinc/49/76/88/544497688.db2.gz XPXSWFHCVXYYFH-UHFFFAOYSA-N 0 3 361.442 2.498 20 30 FEEDHN C[N@@H+](CCC[N-]S(=O)(=O)c1ccc(C#N)cc1F)Cc1ccccc1 ZINC000151029480 544497693 /nfs/dbraw/zinc/49/76/93/544497693.db2.gz XPXSWFHCVXYYFH-UHFFFAOYSA-N 0 3 361.442 2.498 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000151620864 544562644 /nfs/dbraw/zinc/56/26/44/544562644.db2.gz TUTXRCGCBUGLBJ-MRXNPFEDSA-N 0 3 366.387 2.320 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151867221 544590426 /nfs/dbraw/zinc/59/04/26/544590426.db2.gz FQVRITARQINFCX-AOIWGVFYSA-N 0 3 356.422 2.479 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000152852854 544702907 /nfs/dbraw/zinc/70/29/07/544702907.db2.gz LMRSRNZBZFYJJE-UHFFFAOYSA-N 0 3 370.428 2.142 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000154670142 544935225 /nfs/dbraw/zinc/93/52/25/544935225.db2.gz QQQKGDKFGCVUDU-UHFFFAOYSA-N 0 3 372.513 2.187 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccccc2-n2nc(C)cc2C)CC1 ZINC000155193388 545000700 /nfs/dbraw/zinc/00/07/00/545000700.db2.gz NBIVMNQMQFJPQL-UHFFFAOYSA-N 0 3 350.466 2.451 20 30 FEEDHN CCc1nnc(C2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000190677319 328224227 /nfs/dbraw/zinc/22/42/27/328224227.db2.gz XCOGGGBLEVUIST-ZDUSSCGKSA-N 0 3 352.442 2.445 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000191253780 328256700 /nfs/dbraw/zinc/25/67/00/328256700.db2.gz FWNMKYLKVLTHIF-UGSOOPFHSA-N 0 3 368.412 2.443 20 30 FEEDHN N#Cc1ccc(Br)c(CN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000191794900 328282319 /nfs/dbraw/zinc/28/23/19/328282319.db2.gz SRAVVGHJQYQLCC-OAHLLOKOSA-N 0 3 364.287 2.475 20 30 FEEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000012900107 324373395 /nfs/dbraw/zinc/37/33/95/324373395.db2.gz NHDJXRCRIOPCQH-DNVCBOLYSA-N 0 3 363.421 2.229 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289769 325167556 /nfs/dbraw/zinc/16/75/56/325167556.db2.gz VEPYDNIFAJOGBG-QGZVFWFLSA-N 0 3 370.497 2.177 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081289769 325167561 /nfs/dbraw/zinc/16/75/61/325167561.db2.gz VEPYDNIFAJOGBG-QGZVFWFLSA-N 0 3 370.497 2.177 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)N(C)Cc2ccc(C#N)cc2)ccn1 ZINC000118967268 326114142 /nfs/dbraw/zinc/11/41/42/326114142.db2.gz WJYYUBNJFSHSEC-UHFFFAOYSA-N 0 3 367.453 2.235 20 30 FEEDHN CCc1nnc(NCc2ccnc(OCCN(C)C)c2)c(C#N)c1CC ZINC000135389359 326640505 /nfs/dbraw/zinc/64/05/05/326640505.db2.gz DKCSXWGHGNYJHI-UHFFFAOYSA-N 0 3 354.458 2.421 20 30 FEEDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000153159513 326725531 /nfs/dbraw/zinc/72/55/31/326725531.db2.gz GZTOAGUXXQWHGX-NRFANRHFSA-N 0 3 367.449 2.180 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(C)(C)C)CC3)CC2)o1 ZINC000172031504 327177144 /nfs/dbraw/zinc/17/71/44/327177144.db2.gz DVNHDYPITRUBER-UHFFFAOYSA-N 0 3 373.501 2.261 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)ccc1F ZINC000173630196 327272286 /nfs/dbraw/zinc/27/22/86/327272286.db2.gz BTRFPWMLXVONFO-AWEZNQCLSA-N 0 3 351.447 2.194 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H](CC(N)=O)C1)CCC2 ZINC000175251976 327382689 /nfs/dbraw/zinc/38/26/89/327382689.db2.gz KFVINAVHDBIDRM-GFCCVEGCSA-N 0 3 360.483 2.024 20 30 FEEDHN CN(CC(=O)Nc1cccc(C#N)c1)C1CCN(Cc2ccncc2)CC1 ZINC000367117790 330219219 /nfs/dbraw/zinc/21/92/19/330219219.db2.gz SXZUEKDXCHKURW-UHFFFAOYSA-N 0 3 363.465 2.488 20 30 FEEDHN CN(C)CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C1CCCC1 ZINC000155643400 545553248 /nfs/dbraw/zinc/55/32/48/545553248.db2.gz MWTUXFDJUWWIRD-UHFFFAOYSA-N 0 3 362.861 2.483 20 30 FEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)CNc1ccc(C#N)cn1 ZINC000497644930 538775195 /nfs/dbraw/zinc/77/51/95/538775195.db2.gz DTZLZZASQQDVSU-UHFFFAOYSA-N 0 3 355.417 2.095 20 30 FEEDHN C[C@@H]1CCCN1C1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000158560161 545872251 /nfs/dbraw/zinc/87/22/51/545872251.db2.gz VIJKUOHRTJFMRV-GFCCVEGCSA-N 0 3 369.437 2.474 20 30 FEEDHN C#CCCCCNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000159092430 545920828 /nfs/dbraw/zinc/92/08/28/545920828.db2.gz MSWWZYCMMAYDPN-UHFFFAOYSA-N 0 3 365.861 2.139 20 30 FEEDHN N#CCSc1ccccc1NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161393347 546127520 /nfs/dbraw/zinc/12/75/20/546127520.db2.gz LCWVAYVNUCIHCA-UHFFFAOYSA-N 0 3 367.478 2.458 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3CCOCC3)nc2C)CC1 ZINC000162435861 546139146 /nfs/dbraw/zinc/13/91/46/546139146.db2.gz AQHDDKFJQLEYKV-UHFFFAOYSA-N 0 3 373.501 2.389 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)CC1(C#N)CC1 ZINC000166039189 546154136 /nfs/dbraw/zinc/15/41/36/546154136.db2.gz IYKHRSCMNBZQKQ-HZPDHXFCSA-N 0 3 361.511 2.366 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C2OCCO2)CC1)C(C)C ZINC000170681849 546169836 /nfs/dbraw/zinc/16/98/36/546169836.db2.gz UKPLFJXXHPNKLE-SFHVURJKSA-N 0 3 365.518 2.480 20 30 FEEDHN C#CCNC(=O)[C@H](C)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000171121777 546191946 /nfs/dbraw/zinc/19/19/46/546191946.db2.gz UIXRLOFJXOMAEX-KRWDZBQOSA-N 0 3 370.497 2.441 20 30 FEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC1CCN(CCCOC)CC1 ZINC000171207803 546196976 /nfs/dbraw/zinc/19/69/76/546196976.db2.gz RBDKYSHPJKUYGP-UHFFFAOYSA-N 0 3 361.461 2.471 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCc2nccn2Cc2ccccc2)CC1 ZINC000171707887 546219630 /nfs/dbraw/zinc/21/96/30/546219630.db2.gz RMMKAEIBPWFSCK-UHFFFAOYSA-N 0 3 367.497 2.424 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000171719803 546221097 /nfs/dbraw/zinc/22/10/97/546221097.db2.gz XERMODKJSROFJY-IBGZPJMESA-N 0 3 357.479 2.382 20 30 FEEDHN C=CCN1CCC(NC(=O)NCC(=O)Nc2cccc3cccnc32)CC1 ZINC000171730671 546221373 /nfs/dbraw/zinc/22/13/73/546221373.db2.gz LSMSOCBFFYBJLW-UHFFFAOYSA-N 0 3 367.453 2.123 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000171728909 546221523 /nfs/dbraw/zinc/22/15/23/546221523.db2.gz BPLWVIBPTVBCDD-KRWDZBQOSA-N 0 3 362.518 2.071 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)CC1 ZINC000171729155 546221591 /nfs/dbraw/zinc/22/15/91/546221591.db2.gz QBICOSBWRRYKCN-LJQANCHMSA-N 0 3 355.482 2.448 20 30 FEEDHN C=CCN1CCC(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000171725053 546221917 /nfs/dbraw/zinc/22/19/17/546221917.db2.gz NYDNGEDITFJTHE-VOTSOKGWSA-N 0 3 360.454 2.492 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)NCC(C)(C)C#N)cc2)CC1 ZINC000479384620 561188673 /nfs/dbraw/zinc/18/86/73/561188673.db2.gz YKSZDKARURHMOO-UHFFFAOYSA-N 0 3 357.502 2.173 20 30 FEEDHN CCN(CC)c1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1F ZINC000172672297 546263593 /nfs/dbraw/zinc/26/35/93/546263593.db2.gz IDSOVSIVJPMQQN-HNENSFHCSA-N 0 3 360.433 2.288 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000479688801 561195066 /nfs/dbraw/zinc/19/50/66/561195066.db2.gz JIRUJQHDWIFWRA-LJQANCHMSA-N 0 3 372.513 2.375 20 30 FEEDHN CC(C)OCCN1CCC(N[C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000177491694 546630572 /nfs/dbraw/zinc/63/05/72/546630572.db2.gz GUXZKQSGVKLJKN-INIZCTEOSA-N 0 3 358.486 2.364 20 30 FEEDHN C=CCN(CC=C)C(=O)CN1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177506391 546632904 /nfs/dbraw/zinc/63/29/04/546632904.db2.gz GKOXQIRTWJXSHA-KDURUIRLSA-N 0 3 363.546 2.398 20 30 FEEDHN CC[C@@H]1CCCCN1CCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481015596 561222792 /nfs/dbraw/zinc/22/27/92/561222792.db2.gz RPJBYVGFQQOWHV-MRXNPFEDSA-N 0 3 353.463 2.381 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)N1CCC(C)CC1 ZINC000481026198 561223179 /nfs/dbraw/zinc/22/31/79/561223179.db2.gz QUGOEALBCHTPPI-CQSZACIVSA-N 0 3 353.463 2.237 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1 ZINC000481039606 561223701 /nfs/dbraw/zinc/22/37/01/561223701.db2.gz SVWRQYDMJRTTPF-DAXOMENPSA-N 0 3 365.455 2.140 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)c(F)c1 ZINC000481066212 561224446 /nfs/dbraw/zinc/22/44/46/561224446.db2.gz AVFVVWDLGXUCDP-KRWDZBQOSA-N 0 3 365.474 2.381 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178169451 546750350 /nfs/dbraw/zinc/75/03/50/546750350.db2.gz RQISFWRIFMCCDN-UHFFFAOYSA-N 0 3 367.409 2.253 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000178486688 546801840 /nfs/dbraw/zinc/80/18/40/546801840.db2.gz YVTGYYWYTHJLBC-UHFFFAOYSA-N 0 3 354.454 2.282 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(SC(F)F)nc2)CC1 ZINC000178866236 546863351 /nfs/dbraw/zinc/86/33/51/546863351.db2.gz XCHKITIEMOSINN-UHFFFAOYSA-N 0 3 370.425 2.101 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000481829286 561243489 /nfs/dbraw/zinc/24/34/89/561243489.db2.gz JCWAPORYRUBXNH-MOPGFXCFSA-N 0 3 371.525 2.480 20 30 FEEDHN C[C@](C#N)(NC(=O)CN[C@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 ZINC000179745006 547006651 /nfs/dbraw/zinc/00/66/51/547006651.db2.gz ILKVFLDHSWJMRE-VQTJNVASSA-N 0 3 355.438 2.307 20 30 FEEDHN Cn1cc(CN2CCC[C@H]2CN2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179950813 547032279 /nfs/dbraw/zinc/03/22/79/547032279.db2.gz DUGDYAITBCEXOU-FQEVSTJZSA-N 0 3 365.481 2.255 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000180017140 547039603 /nfs/dbraw/zinc/03/96/03/547039603.db2.gz NTGPRPDGHJDUNY-SJORKVTESA-N 0 3 373.501 2.373 20 30 FEEDHN C=CCC[C@@H](NCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000180047497 547042938 /nfs/dbraw/zinc/04/29/38/547042938.db2.gz WYNIVMIAHHNMDD-QZTJIDSGSA-N 0 3 364.511 2.319 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2COC3(CCCCCC3)O2)CC1 ZINC000180690429 547159156 /nfs/dbraw/zinc/15/91/56/547159156.db2.gz JFPHTAJTLYOBAR-QGZVFWFLSA-N 0 3 351.491 2.402 20 30 FEEDHN C=CCN1CCC(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1 ZINC000180722645 547167158 /nfs/dbraw/zinc/16/71/58/547167158.db2.gz WYMUROSMDFPWNL-UHFFFAOYSA-N 0 3 364.511 2.178 20 30 FEEDHN CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)N(C)C ZINC000181822547 547387017 /nfs/dbraw/zinc/38/70/17/547387017.db2.gz CFIDYLHPNSLOJQ-PBHICJAKSA-N 0 3 374.485 2.399 20 30 FEEDHN CN(C(=O)c1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1)[C@H]1CCCN(C)C1 ZINC000182162200 547446200 /nfs/dbraw/zinc/44/62/00/547446200.db2.gz WYHABFHLYRHLDG-SFHVURJKSA-N 0 3 365.437 2.305 20 30 FEEDHN CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCCC1 ZINC000182668922 547530144 /nfs/dbraw/zinc/53/01/44/547530144.db2.gz VGZGDXYTNNMCEJ-IBGZPJMESA-N 0 3 358.461 2.409 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](C4OCCO4)C3)C2=O)cc1 ZINC000182742717 547545346 /nfs/dbraw/zinc/54/53/46/547545346.db2.gz USZUPTUWCNGAQH-WMZOPIPTSA-N 0 3 355.438 2.139 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](Cn4ccnn4)C3)C2=O)cc1 ZINC000182925314 547573368 /nfs/dbraw/zinc/57/33/68/547573368.db2.gz XIRKPYFFIJUZCK-HKUYNNGSSA-N 0 3 364.453 2.057 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCOC[C@@H]1OCC ZINC000484637705 561301890 /nfs/dbraw/zinc/30/18/90/561301890.db2.gz HLCMEAYGDVXETF-UAGQMJEPSA-N 0 3 352.500 2.435 20 30 FEEDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000484653598 561302452 /nfs/dbraw/zinc/30/24/52/561302452.db2.gz QHFDNLMINSRNKQ-XFBWCDHKSA-N 0 3 351.834 2.322 20 30 FEEDHN CCC[C@H]1CCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000185879747 548050052 /nfs/dbraw/zinc/05/00/52/548050052.db2.gz TZGAIXLNZWBTER-INIZCTEOSA-N 0 3 359.474 2.158 20 30 FEEDHN CCC[C@@H]1CCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000185879730 548050659 /nfs/dbraw/zinc/05/06/59/548050659.db2.gz TZGAIXLNZWBTER-MRXNPFEDSA-N 0 3 359.474 2.158 20 30 FEEDHN C=CCSCCNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000186631733 548162058 /nfs/dbraw/zinc/16/20/58/548162058.db2.gz CPNRAZNAZWVTRN-LJQANCHMSA-N 0 3 363.527 2.184 20 30 FEEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000190563174 548328860 /nfs/dbraw/zinc/32/88/60/548328860.db2.gz NNHFAZOZSCWYMJ-HNNXBMFYSA-N 0 3 355.467 2.312 20 30 FEEDHN CCc1nnc(C2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)[nH]1 ZINC000190702140 548332086 /nfs/dbraw/zinc/33/20/86/548332086.db2.gz QFBHZLPTNJXWJE-UHFFFAOYSA-N 0 3 358.490 2.231 20 30 FEEDHN C=CCN(C)C(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000192163480 548360289 /nfs/dbraw/zinc/36/02/89/548360289.db2.gz GERBJPZPCORIJN-UHFFFAOYSA-N 0 3 358.486 2.108 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)CC1 ZINC000194541755 548496427 /nfs/dbraw/zinc/49/64/27/548496427.db2.gz BMWXMDUEDJJRHZ-UHFFFAOYSA-N 0 3 355.486 2.244 20 30 FEEDHN Cc1nc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)ccc1C#N ZINC000195399931 548634151 /nfs/dbraw/zinc/63/41/51/548634151.db2.gz BUNPOBUULKHOOV-UHFFFAOYSA-N 0 3 363.465 2.436 20 30 FEEDHN COc1ccc(CN[C@H]2CCc3nc(C)nn3C2)cc1OCCCC#N ZINC000237375499 548822187 /nfs/dbraw/zinc/82/21/87/548822187.db2.gz IEQWUDMNNPKWEL-INIZCTEOSA-N 0 3 355.442 2.382 20 30 FEEDHN CN1CCN(CCCNC(=O)NCCCCC#N)[C@@H](c2ccccc2)C1 ZINC000246197586 549075011 /nfs/dbraw/zinc/07/50/11/549075011.db2.gz XHBSHPIUZJVCGA-LJQANCHMSA-N 0 3 357.502 2.358 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000246363450 549114981 /nfs/dbraw/zinc/11/49/81/549114981.db2.gz LBLTZYWNBLPHMY-NQIIRXRSSA-N 0 3 352.434 2.280 20 30 FEEDHN C=CCn1cccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000488824686 561397793 /nfs/dbraw/zinc/39/77/93/561397793.db2.gz ZKRVRUBFWVDDKQ-RBUKOAKNSA-N 0 3 353.466 2.287 20 30 FEEDHN CC(C)OC(=O)C[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000248633973 549472456 /nfs/dbraw/zinc/47/24/56/549472456.db2.gz SLVIATURDDFWHL-ZWKOTPCHSA-N 0 3 360.454 2.352 20 30 FEEDHN CC(C)OC(=O)C[C@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000248633967 549472577 /nfs/dbraw/zinc/47/25/77/549472577.db2.gz SLVIATURDDFWHL-QZTJIDSGSA-N 0 3 360.454 2.352 20 30 FEEDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000248938411 549529920 /nfs/dbraw/zinc/52/99/20/549529920.db2.gz CGHZJYRNWSZNAE-RCCFBDPRSA-N 0 3 366.575 2.333 20 30 FEEDHN C[C@H](O)CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000249259430 549573541 /nfs/dbraw/zinc/57/35/41/549573541.db2.gz GUDHYZXJZMXRBQ-GJZGRUSLSA-N 0 3 356.388 2.324 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)[C@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 ZINC000490245537 561429511 /nfs/dbraw/zinc/42/95/11/561429511.db2.gz LPJGFJGDGHAMSU-ROUUACIJSA-N 0 3 373.497 2.170 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC1CCN(C(C)=O)CC1)C(C)C ZINC000264222112 549993369 /nfs/dbraw/zinc/99/33/69/549993369.db2.gz CGXKSEHGZWDCJS-IBGZPJMESA-N 0 3 364.534 2.243 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3nc(C)cs3)CC2)CC1 ZINC000264321442 549994671 /nfs/dbraw/zinc/99/46/71/549994671.db2.gz BHWRJFRUUBXYOO-UHFFFAOYSA-N 0 3 363.531 2.324 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccnc(OC3CCOCC3)c2)CC1 ZINC000264977883 550004039 /nfs/dbraw/zinc/00/40/39/550004039.db2.gz FAPFMQMYZVGOPS-UHFFFAOYSA-N 0 3 374.485 2.089 20 30 FEEDHN COCCN1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000265696693 550013312 /nfs/dbraw/zinc/01/33/12/550013312.db2.gz HBPXBGUVQJIJPY-INIZCTEOSA-N 0 3 369.387 2.077 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000265920957 550015502 /nfs/dbraw/zinc/01/55/02/550015502.db2.gz BUOPUNRMEGCBSM-UHFFFAOYSA-N 0 3 363.414 2.382 20 30 FEEDHN COc1cc(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1C#N ZINC000491124762 561443207 /nfs/dbraw/zinc/44/32/07/561443207.db2.gz WBTMEYBHUAWJOC-RLFYNMQTSA-N 0 3 356.470 2.439 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269066363 550150722 /nfs/dbraw/zinc/15/07/22/550150722.db2.gz CWMXBVMOOSMXJL-CHWSQXEVSA-N 0 3 362.861 2.387 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000269103175 550154735 /nfs/dbraw/zinc/15/47/35/550154735.db2.gz AKVBBIBNBCDSBW-CZUORRHYSA-N 0 3 353.875 2.316 20 30 FEEDHN CN(Cc1cc(C#N)ccc1Br)C1CCN(CCO)CC1 ZINC000492775114 561452599 /nfs/dbraw/zinc/45/25/99/561452599.db2.gz RPAYDNIDKNQOSA-UHFFFAOYSA-N 0 3 352.276 2.209 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1CCC[C@@]1(C)CO ZINC000493444541 561456142 /nfs/dbraw/zinc/45/61/42/561456142.db2.gz WDDWOIMDTKGDLV-CVAIRZPRSA-N 0 3 359.470 2.471 20 30 FEEDHN C#CC[C@@H](NC(=O)NCCCCN1CCN(CC)CC1)c1ccccc1 ZINC000270437927 550272453 /nfs/dbraw/zinc/27/24/53/550272453.db2.gz QGKIJFODKOJNGA-HXUWFJFHSA-N 0 3 356.514 2.468 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000271770607 550400730 /nfs/dbraw/zinc/40/07/30/550400730.db2.gz ITCCYLHVPKFFLE-MJGOQNOKSA-N 0 3 354.454 2.400 20 30 FEEDHN COc1cc(/C=C/C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)ccc1OCC#N ZINC000272578294 550458866 /nfs/dbraw/zinc/45/88/66/550458866.db2.gz WAHMMYQRICCEHN-UPXOEVQQSA-N 0 3 355.438 2.163 20 30 FEEDHN CS[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@H]1N1CCCC1 ZINC000274190945 550527351 /nfs/dbraw/zinc/52/73/51/550527351.db2.gz LOXTVXHZLSYCMP-CABCVRRESA-N 0 3 351.422 2.488 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000274292571 550531648 /nfs/dbraw/zinc/53/16/48/550531648.db2.gz ZLNVQWNAOIBROS-UHFFFAOYSA-N 0 3 357.458 2.461 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000278600442 550803093 /nfs/dbraw/zinc/80/30/93/550803093.db2.gz IJJUKEXJMVRUNB-MRXNPFEDSA-N 0 3 356.470 2.072 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000278621742 550805209 /nfs/dbraw/zinc/80/52/09/550805209.db2.gz JZCMYMHLSJZPHZ-OAHLLOKOSA-N 0 3 367.453 2.293 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCOCC2CC2)cc1 ZINC000278653971 550808448 /nfs/dbraw/zinc/80/84/48/550808448.db2.gz PZNWDQGPUFAPGT-ZDUSSCGKSA-N 0 3 365.455 2.263 20 30 FEEDHN C(=N/OCc1nnc2n1CCCCC2)\c1ccc(N2CCOCC2)cc1 ZINC000278831814 550826819 /nfs/dbraw/zinc/82/68/19/550826819.db2.gz YXVRKKYXKUZSPG-XSFVSMFZSA-N 0 3 355.442 2.392 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000279251044 550869891 /nfs/dbraw/zinc/86/98/91/550869891.db2.gz HBOWCILTGCUGOC-PMACEKPBSA-N 0 3 372.428 2.158 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccc(C)n(C)c1=O)C(C)C ZINC000279594209 550906602 /nfs/dbraw/zinc/90/66/02/550906602.db2.gz VPOCEQDSYTTWLE-GOSISDBHSA-N 0 3 360.502 2.192 20 30 FEEDHN N#Cc1cc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)ccn1 ZINC000280277615 550976152 /nfs/dbraw/zinc/97/61/52/550976152.db2.gz WEUUXBQSDBMEOC-UHFFFAOYSA-N 0 3 368.412 2.366 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)CN1c2ccccc2OCC1=O)C(C)C ZINC000495917466 561491434 /nfs/dbraw/zinc/49/14/34/561491434.db2.gz MVMIFMPIBZLHRT-GOSISDBHSA-N 0 3 371.481 2.227 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000282141035 551185770 /nfs/dbraw/zinc/18/57/70/551185770.db2.gz RYVKVFLTXAKNOE-FQEVSTJZSA-N 0 3 363.461 2.051 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1cccnc1)C(C)C ZINC000283226156 551332373 /nfs/dbraw/zinc/33/23/73/551332373.db2.gz VEDVUJNTLIXQQU-AEFFLSMTSA-N 0 3 358.486 2.074 20 30 FEEDHN C=CCn1c(-c2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000283611143 551396575 /nfs/dbraw/zinc/39/65/75/551396575.db2.gz VKOVKZREUWHYKJ-UHFFFAOYSA-N 0 3 368.485 2.075 20 30 FEEDHN CN1CC[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000283650434 551403435 /nfs/dbraw/zinc/40/34/35/551403435.db2.gz BDRSFFSLBMTWDL-QXAKKESOSA-N 0 3 362.424 2.108 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CC(c3ccc(OC)cc3)=NO2)CC1 ZINC000283681032 551408605 /nfs/dbraw/zinc/40/86/05/551408605.db2.gz NGEQEFGWAJIIGC-SFHVURJKSA-N 0 3 372.469 2.138 20 30 FEEDHN Cc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)[N-]C2CCCCC2)cc1 ZINC000283872590 551441818 /nfs/dbraw/zinc/44/18/18/551441818.db2.gz CNZPEIOPHHYWQU-UHFFFAOYSA-O 0 3 358.491 2.272 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccccn1)C(C)C ZINC000284786181 551632812 /nfs/dbraw/zinc/63/28/12/551632812.db2.gz KCBZAGSKIISALV-AEFFLSMTSA-N 0 3 358.486 2.074 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000285285778 551731940 /nfs/dbraw/zinc/73/19/40/551731940.db2.gz ZOQWYRCNFRXOTJ-PXNSSMCTSA-N 0 3 370.493 2.401 20 30 FEEDHN CN1CCC(Oc2ccc(CNC(=O)c3cc(C#N)ccn3)cc2)CC1 ZINC000285831873 551816807 /nfs/dbraw/zinc/81/68/07/551816807.db2.gz YTUPEXTVSTXHQS-UHFFFAOYSA-N 0 3 350.422 2.356 20 30 FEEDHN CC[C@@](C)(C#N)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000285861500 551820335 /nfs/dbraw/zinc/82/03/35/551820335.db2.gz DKRGZRRTXAZCPJ-NQIIRXRSSA-N 0 3 369.513 2.382 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(CC)Cc2ccc(Cl)cc2)CC1 ZINC000286379434 551880991 /nfs/dbraw/zinc/88/09/91/551880991.db2.gz CUXXXTQIXNIWFA-UHFFFAOYSA-N 0 3 363.889 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)c2ccc(C)cc2)CC1 ZINC000286456871 551887571 /nfs/dbraw/zinc/88/75/71/551887571.db2.gz NLNLAPKEXUIXGC-UHFFFAOYSA-N 0 3 357.498 2.155 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(Cc2cccc(F)c2)C2CC2)CC1 ZINC000286495079 551892689 /nfs/dbraw/zinc/89/26/89/551892689.db2.gz KCDLBTMROHEZLH-UHFFFAOYSA-N 0 3 373.472 2.473 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000286887891 551936865 /nfs/dbraw/zinc/93/68/65/551936865.db2.gz DSBZEXFLQYWEHH-TZIWHRDSSA-N 0 3 370.541 2.194 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCSCC2)cc1 ZINC000287078731 551960765 /nfs/dbraw/zinc/96/07/65/551960765.db2.gz IGJRIBSCNVNMLV-GFCCVEGCSA-N 0 3 353.469 2.343 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CCO)C(C)(C)C)cc1 ZINC000287104672 551963851 /nfs/dbraw/zinc/96/38/51/551963851.db2.gz JSEOGJQVRRFUNT-WFASDCNBSA-N 0 3 367.471 2.291 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CCO)C(C)(C)C)cc1 ZINC000287104663 551964016 /nfs/dbraw/zinc/96/40/16/551964016.db2.gz JSEOGJQVRRFUNT-IUODEOHRSA-N 0 3 367.471 2.291 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000287844859 552054026 /nfs/dbraw/zinc/05/40/26/552054026.db2.gz VKNFBJBIVRWOKW-LJQANCHMSA-N 0 3 360.502 2.248 20 30 FEEDHN N=C(NC[C@H](O)CN1CCc2ccccc2C1)Nc1cc(F)ccc1F ZINC000288666472 552194841 /nfs/dbraw/zinc/19/48/41/552194841.db2.gz HCPNVFPJFGYYCL-INIZCTEOSA-N 0 3 360.408 2.111 20 30 FEEDHN C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000289662498 552358382 /nfs/dbraw/zinc/35/83/82/552358382.db2.gz MJCJLYASKDLDBA-QGZVFWFLSA-N 0 3 370.501 2.249 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)Cn1cccn1 ZINC000501236642 561592974 /nfs/dbraw/zinc/59/29/74/561592974.db2.gz SRSAMNXVHSBDMV-HZPDHXFCSA-N 0 3 355.442 2.205 20 30 FEEDHN CN1CC[C@@]2(CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000292599710 552741751 /nfs/dbraw/zinc/74/17/51/552741751.db2.gz RPJGVGPICDPZAT-OAQYLSRUSA-N 0 3 368.481 2.268 20 30 FEEDHN C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)N1CCCC[C@H]1C ZINC000501533574 561599797 /nfs/dbraw/zinc/59/97/97/561599797.db2.gz RQQQPFMAUSHHBO-IAGOWNOFSA-N 0 3 370.501 2.048 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000293933978 552869171 /nfs/dbraw/zinc/86/91/71/552869171.db2.gz IFBSEEHSLGMWPT-KRWDZBQOSA-N 0 3 356.470 2.002 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCc1nc(-c2ccc(OCC)cc2)no1 ZINC000294073110 552879740 /nfs/dbraw/zinc/87/97/40/552879740.db2.gz VZPWKVCABMHEOP-UHFFFAOYSA-N 0 3 370.453 2.139 20 30 FEEDHN N#CCCOCCN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000294086969 552880723 /nfs/dbraw/zinc/88/07/23/552880723.db2.gz LQTDXTAZVNXSSK-UHFFFAOYSA-N 0 3 353.422 2.235 20 30 FEEDHN C#CCO[C@H](C)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000294649959 552923585 /nfs/dbraw/zinc/92/35/85/552923585.db2.gz YJOPBLGSMMRXKD-LJQANCHMSA-N 0 3 357.498 2.052 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](C)O1 ZINC000294861124 552939609 /nfs/dbraw/zinc/93/96/09/552939609.db2.gz GRZXHOOHIZMLIN-IYBDPMFKSA-N 0 3 358.486 2.243 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H](C)O1 ZINC000294861117 552939729 /nfs/dbraw/zinc/93/97/29/552939729.db2.gz GRZXHOOHIZMLIN-HZPDHXFCSA-N 0 3 358.486 2.243 20 30 FEEDHN C#CCCOc1ccc(C(=O)NCCCCN2CCN(CC)CC2)cc1 ZINC000294975488 552948521 /nfs/dbraw/zinc/94/85/21/552948521.db2.gz RBZDILWFCQXLKF-UHFFFAOYSA-N 0 3 357.498 2.236 20 30 FEEDHN CS[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1N(C)C ZINC000295131610 552961620 /nfs/dbraw/zinc/96/16/20/552961620.db2.gz YDRZEVYVKISUQP-KGLIPLIRSA-N 0 3 368.300 2.438 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000295270247 552979243 /nfs/dbraw/zinc/97/92/43/552979243.db2.gz RZDFEJDKHXJOCD-SUMWQHHRSA-N 0 3 353.463 2.189 20 30 FEEDHN C#CCO[C@@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000295766713 553056352 /nfs/dbraw/zinc/05/63/52/553056352.db2.gz IDNFPPJANWTYBK-HNNXBMFYSA-N 0 3 364.873 2.338 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295871036 553069946 /nfs/dbraw/zinc/06/99/46/553069946.db2.gz FQJBJFBPHXIHPC-CXAGYDPISA-N 0 3 351.447 2.086 20 30 FEEDHN COc1cc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1C#N ZINC000296597756 553185164 /nfs/dbraw/zinc/18/51/64/553185164.db2.gz RCXNJCBZJPGCOE-MRXNPFEDSA-N 0 3 361.442 2.292 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)CC1 ZINC000296659582 553194685 /nfs/dbraw/zinc/19/46/85/553194685.db2.gz OKLAWPKXWZWEJG-DLBZAZTESA-N 0 3 370.497 2.018 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000296793563 553212421 /nfs/dbraw/zinc/21/24/21/553212421.db2.gz HQZPRYBQLGVEIM-FQEVSTJZSA-N 0 3 373.497 2.105 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN2CCCC2)c1C#N ZINC000296804782 553214259 /nfs/dbraw/zinc/21/42/59/553214259.db2.gz KMIKMJVTBBRJGZ-INIZCTEOSA-N 0 3 356.470 2.432 20 30 FEEDHN C#Cc1ccc(CNC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000297459504 553295172 /nfs/dbraw/zinc/29/51/72/553295172.db2.gz CGRNUSJGIWCRHI-UHFFFAOYSA-N 0 3 368.525 2.368 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccn2ccnc2c1)C(C)C ZINC000297705568 553327792 /nfs/dbraw/zinc/32/77/92/553327792.db2.gz BABJUJOQFYYXAF-KRWDZBQOSA-N 0 3 369.469 2.088 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1coc(-c2ccc(C)cc2)n1 ZINC000297829710 553344224 /nfs/dbraw/zinc/34/42/24/553344224.db2.gz XZLDBGSUARXFRO-UHFFFAOYSA-N 0 3 354.454 2.447 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(O)CCC[C@H]2C)cc1 ZINC000297897427 553354432 /nfs/dbraw/zinc/35/44/32/553354432.db2.gz SDSFKMPHVQHXOV-IGCXYCKISA-N 0 3 365.455 2.045 20 30 FEEDHN CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000297977126 553365311 /nfs/dbraw/zinc/36/53/11/553365311.db2.gz YRGXRXHJDQONHD-HNNXBMFYSA-N 0 3 364.515 2.037 20 30 FEEDHN Cn1nnc2cc(CN[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc21 ZINC000503915697 561649719 /nfs/dbraw/zinc/64/97/19/561649719.db2.gz XOZQVYCWACQNRD-KRWDZBQOSA-N 0 3 360.421 2.125 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1 ZINC000299133732 553519832 /nfs/dbraw/zinc/51/98/32/553519832.db2.gz FVQDKJYPBMSAHJ-UHFFFAOYSA-N 0 3 369.465 2.496 20 30 FEEDHN N#Cc1ccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1C(F)(F)F ZINC000301906882 553690905 /nfs/dbraw/zinc/69/09/05/553690905.db2.gz AIPDWQDZULQAIK-INIZCTEOSA-N 0 3 366.387 2.496 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1Cl ZINC000326649932 553782668 /nfs/dbraw/zinc/78/26/68/553782668.db2.gz XSVWDEVCINRWDC-DOTOQJQBSA-N 0 3 361.854 2.327 20 30 FEEDHN CN1CCC[C@H](CNC(=O)N2CC[C@](F)(CO)C2)[C@H]1c1cccs1 ZINC000328702275 553809860 /nfs/dbraw/zinc/80/98/60/553809860.db2.gz NSTHTFUKMZLSTG-UKPHBRMFSA-N 0 3 355.479 2.451 20 30 FEEDHN CC(C)N(CCN(C)CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000505814374 561681580 /nfs/dbraw/zinc/68/15/80/561681580.db2.gz WNSYBFMIPLVGNM-UHFFFAOYSA-N 0 3 351.516 2.383 20 30 FEEDHN CC(C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)S(=O)(=O)C1CCOCC1 ZINC000505834364 561682269 /nfs/dbraw/zinc/68/22/69/561682269.db2.gz SOERGHCWPGWSGG-ABAIWWIYSA-N 0 3 370.858 2.003 20 30 FEEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328850043 553832234 /nfs/dbraw/zinc/83/22/34/553832234.db2.gz WISYWWYSDWRBGK-DRRXZNNHSA-N 0 3 367.490 2.297 20 30 FEEDHN CC(=O)N1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CC12CCCCC2 ZINC000328934905 553848313 /nfs/dbraw/zinc/84/83/13/553848313.db2.gz CGAQHYCJKFSHPT-FUHWJXTLSA-N 0 3 364.534 2.496 20 30 FEEDHN CO[C@H]1C[C@@H](CN(C)CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)N(C)C1 ZINC000329044621 553870891 /nfs/dbraw/zinc/87/08/91/553870891.db2.gz UMBAVBGIXULXMO-FXUDXRNXSA-N 0 3 354.495 2.087 20 30 FEEDHN CC(C)[C@@H]1C[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CCO1 ZINC000329103710 553880839 /nfs/dbraw/zinc/88/08/39/553880839.db2.gz CGBKKXAAHCGELH-MSOLQXFVSA-N 0 3 353.507 2.148 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000329119854 553883515 /nfs/dbraw/zinc/88/35/15/553883515.db2.gz JYHWRSKLNHFFNJ-SJORKVTESA-N 0 3 363.506 2.022 20 30 FEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000329130970 553886064 /nfs/dbraw/zinc/88/60/64/553886064.db2.gz ORMDSTKSFDVHQD-ULQDDVLXSA-N 0 3 363.506 2.357 20 30 FEEDHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329139269 553887536 /nfs/dbraw/zinc/88/75/36/553887536.db2.gz FFISCIJTRQLVOH-QWHCGFSZSA-N 0 3 371.528 2.388 20 30 FEEDHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329139269 553887538 /nfs/dbraw/zinc/88/75/38/553887538.db2.gz FFISCIJTRQLVOH-QWHCGFSZSA-N 0 3 371.528 2.388 20 30 FEEDHN CC(C)[C@@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CCCCC1 ZINC000329284377 553917842 /nfs/dbraw/zinc/91/78/42/553917842.db2.gz OJXLKYZHKZTKSP-WBVHZDCISA-N 0 3 371.547 2.410 20 30 FEEDHN CN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H]1CN2CCC1CC2 ZINC000329288172 553918480 /nfs/dbraw/zinc/91/84/80/553918480.db2.gz MPRMYMIACUEYKP-LPHOPBHVSA-N 0 3 356.445 2.076 20 30 FEEDHN C[C@]1(C[C@@H]2CCCN2C(=O)NC2CCN(C3CC3)CC2)NC(=O)NC1=O ZINC000329415594 553942733 /nfs/dbraw/zinc/94/27/33/553942733.db2.gz CWVBDCFMYHQRQL-KBXCAEBGSA-N 0 3 363.462 2.025 20 30 FEEDHN O=C(NCC1CCN(c2ccncc2)CC1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329525953 553962183 /nfs/dbraw/zinc/96/21/83/553962183.db2.gz HIDYQBKABQKINW-MOPGFXCFSA-N 0 3 374.485 2.092 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000329632890 553980348 /nfs/dbraw/zinc/98/03/48/553980348.db2.gz WLBAEYUXEAFWDJ-RBSFLKMASA-N 0 3 363.462 2.456 20 30 FEEDHN O=C(NC[C@H]1CCCCS1(=O)=O)NC1CCN(CC2CCCC2)CC1 ZINC000329657786 553983235 /nfs/dbraw/zinc/98/32/35/553983235.db2.gz NIQNILAQKMLNAL-QGZVFWFLSA-N 0 3 371.547 2.112 20 30 FEEDHN C[C@H](NC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000329707961 553992963 /nfs/dbraw/zinc/99/29/63/553992963.db2.gz LYNJPLUJEYCNPO-MAUKXSAKSA-N 0 3 362.518 2.322 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000329721534 553995489 /nfs/dbraw/zinc/99/54/89/553995489.db2.gz DZSXKWYUZHYAPT-DXWTWGPWSA-N 0 3 364.490 2.126 20 30 FEEDHN CC1CCN([C@@H](CNC(=O)CN2CCOCC2=O)c2ccccc2)CC1 ZINC000329844728 554017696 /nfs/dbraw/zinc/01/76/96/554017696.db2.gz LNBVPKANYJBCJR-SFHVURJKSA-N 0 3 359.470 2.275 20 30 FEEDHN CCCN1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000329913252 554030558 /nfs/dbraw/zinc/03/05/58/554030558.db2.gz OOSNYQQJSSRKKW-SFHVURJKSA-N 0 3 358.486 2.119 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000329945132 554036928 /nfs/dbraw/zinc/03/69/28/554036928.db2.gz FRKVYBQHMDLGRB-SJORKVTESA-N 0 3 362.522 2.267 20 30 FEEDHN CC1(C)CN(C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@@]2(CCOC2)O1 ZINC000330001303 554047509 /nfs/dbraw/zinc/04/75/09/554047509.db2.gz XUPZIAPOVANHPL-QFBILLFUSA-N 0 3 351.491 2.187 20 30 FEEDHN CN(C)[C@]1(CNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CCSC1 ZINC000330132060 554070760 /nfs/dbraw/zinc/07/07/60/554070760.db2.gz FXJYQWZUZQAHPS-WBMJQRKESA-N 0 3 359.561 2.328 20 30 FEEDHN CN(C)[C@@]1(CNC(=O)c2cnc(-c3cnn(C)c3)s2)CCSC1 ZINC000330053239 554056067 /nfs/dbraw/zinc/05/60/67/554056067.db2.gz QDWYSDNIWZFXIV-OAHLLOKOSA-N 0 3 351.501 2.286 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000330115441 554067323 /nfs/dbraw/zinc/06/73/23/554067323.db2.gz FPRRQKQWTULEGR-WNRNVDISSA-N 0 3 362.518 2.108 20 30 FEEDHN O=C(N[C@H]1CCn2ccnc2C1)N1CCN(c2cccc(F)c2F)CC1 ZINC000330144781 554073453 /nfs/dbraw/zinc/07/34/53/554073453.db2.gz RWJHEUXOXOBUMJ-ZDUSSCGKSA-N 0 3 361.396 2.212 20 30 FEEDHN O=C(NC1CCCCC1)NC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000330203549 554084118 /nfs/dbraw/zinc/08/41/18/554084118.db2.gz AWDRHXKDBZPPEJ-GOSISDBHSA-N 0 3 362.518 2.441 20 30 FEEDHN C[C@@H]1C[C@H](CCNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCO1 ZINC000330231922 554089872 /nfs/dbraw/zinc/08/98/72/554089872.db2.gz RGCNYJWKDIFREZ-GVDBMIGSSA-N 0 3 353.507 2.291 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3CC)cc2C1=O ZINC000330238674 554091118 /nfs/dbraw/zinc/09/11/18/554091118.db2.gz ZYZAQOPHIGUDJT-HOTGVXAUSA-N 0 3 367.449 2.167 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330242854 554091606 /nfs/dbraw/zinc/09/16/06/554091606.db2.gz CHVQANNSEXRJLY-SFHLNBCPSA-N 0 3 373.497 2.037 20 30 FEEDHN CC(C)N1C[C@@H](NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1=O ZINC000330253914 554093639 /nfs/dbraw/zinc/09/36/39/554093639.db2.gz OYCHZDNOYWKWHR-NJAFHUGGSA-N 0 3 358.486 2.335 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330272957 554097359 /nfs/dbraw/zinc/09/73/59/554097359.db2.gz YKOMZQCWYGHBON-BBWFWOEESA-N 0 3 351.491 2.187 20 30 FEEDHN Cc1nccn1C[C@H](C)C[NH+]=C([O-])N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330276438 554097665 /nfs/dbraw/zinc/09/76/65/554097665.db2.gz MXCQXNRUUKASBS-RVKKMQEKSA-N 0 3 350.463 2.012 20 30 FEEDHN CN1C(=O)CO[C@H](C(=O)NCCN2CCCCCC2)[C@@H]1c1ccccc1 ZINC000330315856 554104179 /nfs/dbraw/zinc/10/41/79/554104179.db2.gz YZQXMQKOMWKUGO-OALUTQOASA-N 0 3 359.470 2.417 20 30 FEEDHN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000330325552 554105462 /nfs/dbraw/zinc/10/54/62/554105462.db2.gz JJPNHSZLWZZCQG-JCGIZDLHSA-N 0 3 362.474 2.098 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000330331175 554106307 /nfs/dbraw/zinc/10/63/07/554106307.db2.gz NWYSOIMNABAVTQ-NUJGCVRESA-N 0 3 363.506 2.408 20 30 FEEDHN Cc1c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cccc1S(N)(=O)=O ZINC000330418405 554119121 /nfs/dbraw/zinc/11/91/21/554119121.db2.gz DEKBJNLEEJEQKN-CHWSQXEVSA-N 0 3 353.488 2.067 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000330427867 554120157 /nfs/dbraw/zinc/12/01/57/554120157.db2.gz UDMYARSDLWCAEF-LZLYRXPVSA-N 0 3 364.515 2.108 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCOC2)cc1 ZINC000330730692 554164198 /nfs/dbraw/zinc/16/41/98/554164198.db2.gz IFQBTCCEUTVWAK-KGLIPLIRSA-N 0 3 365.455 2.263 20 30 FEEDHN CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000330899990 554185273 /nfs/dbraw/zinc/18/52/73/554185273.db2.gz JNHYNUBGPXUUKC-ZIAGYGMSSA-N 0 3 353.488 2.081 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CC2CCN(C)CC2)C1 ZINC000330904541 554186077 /nfs/dbraw/zinc/18/60/77/554186077.db2.gz MBYLFFQQCHWQTB-KRWDZBQOSA-N 0 3 352.523 2.069 20 30 FEEDHN CN(CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000331018423 554202013 /nfs/dbraw/zinc/20/20/13/554202013.db2.gz VZLPTMXDCGUPPL-QGZVFWFLSA-N 0 3 360.502 2.412 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1 ZINC000331150954 554222270 /nfs/dbraw/zinc/22/22/70/554222270.db2.gz ZXBGACVLRCZMLD-OWCLPIDISA-N 0 3 373.563 2.023 20 30 FEEDHN C[C@H](CS(C)(=O)=O)N(C)C(=O)NC[C@@H]1CCCN1C1CCCCC1 ZINC000331245717 554236085 /nfs/dbraw/zinc/23/60/85/554236085.db2.gz LYMPFNKQFYMYOA-ZBFHGGJFSA-N 0 3 359.536 2.062 20 30 FEEDHN C=CCSCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000509187366 561788955 /nfs/dbraw/zinc/78/89/55/561788955.db2.gz UUBRRLDMLCXODY-QZTJIDSGSA-N 0 3 363.527 2.088 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331874944 554336276 /nfs/dbraw/zinc/33/62/76/554336276.db2.gz PCXHQDAYDWMORG-MSOLQXFVSA-N 0 3 355.486 2.079 20 30 FEEDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000332626156 554486394 /nfs/dbraw/zinc/48/63/94/554486394.db2.gz OQYROSXEBAVLTO-HOTGVXAUSA-N 0 3 351.447 2.086 20 30 FEEDHN CCOc1ccc(C#N)cc1NC1CCN(CCN2CCOCC2)CC1 ZINC000360682737 554885333 /nfs/dbraw/zinc/88/53/33/554885333.db2.gz WFCSFPTYCWMJIU-UHFFFAOYSA-N 0 3 358.486 2.165 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2Cn2nc(C)nc2C)CC1 ZINC000362742012 554985912 /nfs/dbraw/zinc/98/59/12/554985912.db2.gz QIHRUXBAAORYEB-SFHVURJKSA-N 0 3 360.506 2.109 20 30 FEEDHN COc1ccc(CC(=O)N2CCCN(CCCSCC#N)CC2)cc1 ZINC000363046928 555018213 /nfs/dbraw/zinc/01/82/13/555018213.db2.gz HSHXHDRUYBQYGZ-UHFFFAOYSA-N 0 3 361.511 2.419 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CCN(C)C[C@H]3C)C2)n1 ZINC000363114221 555033352 /nfs/dbraw/zinc/03/33/52/555033352.db2.gz PFBMREZESMNUGS-MNEFBYGVSA-N 0 3 369.513 2.277 20 30 FEEDHN CCCN1CCN(C2CCN(C(=O)c3ccc(C#N)cc3C)CC2)CC1 ZINC000363164294 555043947 /nfs/dbraw/zinc/04/39/47/555043947.db2.gz LISBEZGOUYXTMI-UHFFFAOYSA-N 0 3 354.498 2.499 20 30 FEEDHN C#CCNC(=O)[C@H](C)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000363246142 555062610 /nfs/dbraw/zinc/06/26/10/555062610.db2.gz PSHRBWBNABZBHR-HNNXBMFYSA-N 0 3 356.445 2.229 20 30 FEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000363943641 555219038 /nfs/dbraw/zinc/21/90/38/555219038.db2.gz AFKQZKZRJBYRJV-MRXNPFEDSA-N 0 3 367.457 2.381 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000364166186 555261936 /nfs/dbraw/zinc/26/19/36/555261936.db2.gz CGRAXLMRDCJIIC-FQEVSTJZSA-N 0 3 366.509 2.217 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000364429230 555312102 /nfs/dbraw/zinc/31/21/02/555312102.db2.gz XJJCCRSOVHQYAE-JXFKEZNVSA-N 0 3 367.497 2.263 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000364736647 555389602 /nfs/dbraw/zinc/38/96/02/555389602.db2.gz LXCRIIHASUEZND-OAHLLOKOSA-N 0 3 361.511 2.367 20 30 FEEDHN C=C(CNC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1ccccc1 ZINC000512668905 561911826 /nfs/dbraw/zinc/91/18/26/561911826.db2.gz XHUQLSSOBGVMOB-SFHVURJKSA-N 0 3 360.502 2.092 20 30 FEEDHN C=CCN(C(=O)NOC[C@H]1CCOC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364959637 555450866 /nfs/dbraw/zinc/45/08/66/555450866.db2.gz XREUEVCQEGQKBZ-RBUKOAKNSA-N 0 3 359.470 2.427 20 30 FEEDHN C=CCN1CCC(NC(=O)NC2CCN(C(=O)c3ccoc3C)CC2)CC1 ZINC000365189877 555506356 /nfs/dbraw/zinc/50/63/56/555506356.db2.gz XPJGWUYKOHVALX-UHFFFAOYSA-N 0 3 374.485 2.142 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(c3nnc[nH]3)CC2)c(OC)c1 ZINC000365922044 555702006 /nfs/dbraw/zinc/70/20/06/555702006.db2.gz XBZIIGDSVAYKBI-QGZVFWFLSA-N 0 3 372.469 2.161 20 30 FEEDHN CCc1nnc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000366239528 555789637 /nfs/dbraw/zinc/78/96/37/555789637.db2.gz FHUYDPXBVSJLOZ-QGZVFWFLSA-N 0 3 362.437 2.327 20 30 FEEDHN N#CC(CCN1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC000366335697 555814646 /nfs/dbraw/zinc/81/46/46/555814646.db2.gz VEDLIMCRIONORT-VQTJNVASSA-N 0 3 373.456 2.481 20 30 FEEDHN C#CC[C@H](NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000367030663 556000322 /nfs/dbraw/zinc/00/03/22/556000322.db2.gz ROFUTISSXOWLTR-SESVDKBCSA-N 0 3 368.525 2.418 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000367464692 556057523 /nfs/dbraw/zinc/05/75/23/556057523.db2.gz IRYVZYQAYBDWAS-RDTXWAMCSA-N 0 3 364.453 2.025 20 30 FEEDHN N#Cc1ncn(CCNCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000367606366 556095138 /nfs/dbraw/zinc/09/51/38/556095138.db2.gz JTOLBWDQRHBYSS-UHFFFAOYSA-N 0 3 361.331 2.348 20 30 FEEDHN C=CCN(C(=O)NCc1cncn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000367851427 556154918 /nfs/dbraw/zinc/15/49/18/556154918.db2.gz VKBTZEGSEFIZQQ-GOSISDBHSA-N 0 3 353.470 2.392 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000367851577 556155067 /nfs/dbraw/zinc/15/50/67/556155067.db2.gz AXODCLSYKJGIQZ-HUUCEWRRSA-N 0 3 370.453 2.049 20 30 FEEDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000368495808 556326186 /nfs/dbraw/zinc/32/61/86/556326186.db2.gz KTYANWYOUJDBDZ-SOVGHPHASA-N 0 3 372.444 2.108 20 30 FEEDHN C=CCN(C(=O)NCCn1ccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368925031 556450006 /nfs/dbraw/zinc/45/00/06/556450006.db2.gz PPYQCUZJPVHCPK-IBGZPJMESA-N 0 3 353.470 2.355 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000515638011 562017857 /nfs/dbraw/zinc/01/78/57/562017857.db2.gz NGVFTFOBOGFFMQ-PKOBYXMFSA-N 0 3 355.413 2.306 20 30 FEEDHN N#Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)sc2c1CCC2 ZINC000368967203 556461535 /nfs/dbraw/zinc/46/15/35/556461535.db2.gz VSWNDAPZHKTZLW-NVGCLXPQSA-N 0 3 372.494 2.023 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCN2CCc3sccc3C2)cc1 ZINC000369137719 556513945 /nfs/dbraw/zinc/51/39/45/556513945.db2.gz DAQQGSACYGUOKZ-SFHVURJKSA-N 0 3 364.474 2.477 20 30 FEEDHN CCCN1CCN(C2CCN(C(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000369158090 556520234 /nfs/dbraw/zinc/52/02/34/556520234.db2.gz VVABNMIKLGWVHN-UHFFFAOYSA-N 0 3 370.497 2.221 20 30 FEEDHN COc1ccc([C@H](CCC#N)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000369322331 556574635 /nfs/dbraw/zinc/57/46/35/556574635.db2.gz QRUHYAFLZOFPFS-RIFZZMRRSA-N 0 3 370.453 2.350 20 30 FEEDHN C#CCCN1CCC(NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000369592115 556641192 /nfs/dbraw/zinc/64/11/92/556641192.db2.gz OVGNVVCAULNTDR-QGZVFWFLSA-N 0 3 357.479 2.093 20 30 FEEDHN C#CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(CC)C3)c1C ZINC000370259456 556824028 /nfs/dbraw/zinc/82/40/28/556824028.db2.gz CUYQGWYYAXDCNZ-AWEZNQCLSA-N 0 3 351.454 2.095 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCCC[C@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 ZINC000370500032 556892186 /nfs/dbraw/zinc/89/21/86/556892186.db2.gz OSLGEHCLLHFWTF-WDSOQIARSA-N 0 3 366.465 2.044 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)OC3(CCOCC3)C2)CC1 ZINC000370510487 556895360 /nfs/dbraw/zinc/89/53/60/556895360.db2.gz XMZODPDDSFVTCH-INIZCTEOSA-N 0 3 351.491 2.006 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000517214124 562079822 /nfs/dbraw/zinc/07/98/22/562079822.db2.gz ZFFCYBABMWKHNW-HZPDHXFCSA-N 0 3 356.470 2.070 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000371288636 557132865 /nfs/dbraw/zinc/13/28/65/557132865.db2.gz ZQDKJSCRDVTUDG-IBGZPJMESA-N 0 3 354.454 2.292 20 30 FEEDHN COCCCN1CCC(NC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000371505710 557203357 /nfs/dbraw/zinc/20/33/57/557203357.db2.gz LHGCBCPLIJCSGO-OAQYLSRUSA-N 0 3 355.482 2.302 20 30 FEEDHN CN1CC=C(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000371509420 557205344 /nfs/dbraw/zinc/20/53/44/557205344.db2.gz OZLXJUDSAJRHFX-QGZVFWFLSA-N 0 3 371.460 2.227 20 30 FEEDHN CCN1CCc2c(cccc2NC(=O)C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000371641023 557247696 /nfs/dbraw/zinc/24/76/96/557247696.db2.gz CAMOFPMCEDKUFA-UHFFFAOYSA-N 0 3 354.454 2.155 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC2(CCOC2=O)CC1)C(C)C ZINC000371882375 557318941 /nfs/dbraw/zinc/31/89/41/557318941.db2.gz BRCVAYLKNKWLBM-QGZVFWFLSA-N 0 3 363.502 2.424 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371995051 557350916 /nfs/dbraw/zinc/35/09/16/557350916.db2.gz WASYRFYRRPLHJQ-QRVBRYPASA-N 0 3 366.550 2.442 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CN1C1CC1 ZINC000372348833 557447252 /nfs/dbraw/zinc/44/72/52/557447252.db2.gz YHTNVFWTEFOCEM-LJHODMEESA-N 0 3 354.454 2.266 20 30 FEEDHN CO/N=C/c1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1 ZINC000372410939 557463855 /nfs/dbraw/zinc/46/38/55/557463855.db2.gz YUKQJPCNBIPSQO-GGJQROPYSA-N 0 3 352.438 2.485 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCCc2c[nH]c3ccccc23)nc1 ZINC000519600392 562136635 /nfs/dbraw/zinc/13/66/35/562136635.db2.gz WMZGYUYTVRIUQI-UHFFFAOYSA-N 0 3 368.462 2.431 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1 ZINC000372797577 557564290 /nfs/dbraw/zinc/56/42/90/557564290.db2.gz BGAKHPFHJOSHBY-CVEARBPZSA-N 0 3 356.451 2.399 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000372863304 557578124 /nfs/dbraw/zinc/57/81/24/557578124.db2.gz MNYJYVXIFRXMDB-UXPWSPDFSA-N 0 3 371.481 2.137 20 30 FEEDHN N#Cc1ccc(N2CCCN(C(=O)C3CCN(C4CC4)CC3)CC2)cc1 ZINC000373236836 557655668 /nfs/dbraw/zinc/65/56/68/557655668.db2.gz LWKVYEMUBHRJOY-UHFFFAOYSA-N 0 3 352.482 2.471 20 30 FEEDHN CCOC(=O)C1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000373407298 557688233 /nfs/dbraw/zinc/68/82/33/557688233.db2.gz UDJQXRCVHHPMKD-KRWDZBQOSA-N 0 3 353.422 2.432 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)CC1 ZINC000373777623 557757103 /nfs/dbraw/zinc/75/71/03/557757103.db2.gz NMXCSXNDMHSOAF-FUHIMQAGSA-N 0 3 365.518 2.395 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000374307722 557862875 /nfs/dbraw/zinc/86/28/75/557862875.db2.gz IGHOHYZXQNQWOH-ZWKOTPCHSA-N 0 3 365.433 2.160 20 30 FEEDHN CN(C)Cc1cccc(C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374379520 557875071 /nfs/dbraw/zinc/87/50/71/557875071.db2.gz HEVQRPNLNQMFCI-JTSKRJEESA-N 0 3 374.444 2.234 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000374468619 557887879 /nfs/dbraw/zinc/88/78/79/557887879.db2.gz DRGWDKMBKFKCNM-LJQANCHMSA-N 0 3 354.454 2.196 20 30 FEEDHN CC(C)(C)OC(=O)N1C[C@@H](CNC2CC(C#N)(c3ccccc3)C2)[C@H](O)C1 ZINC000374587576 557902983 /nfs/dbraw/zinc/90/29/83/557902983.db2.gz UCNWHQVJVAXQEQ-XTIMDLJNSA-N 0 3 371.481 2.428 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@H](C)c2c(F)cccc2F)CC1 ZINC000521416226 562175980 /nfs/dbraw/zinc/17/59/80/562175980.db2.gz KJTMTUUUISBIOY-CYBMUJFWSA-N 0 3 365.424 2.251 20 30 FEEDHN CN1CC=C(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000376132098 558131184 /nfs/dbraw/zinc/13/11/84/558131184.db2.gz XRPQSRVPZIIRFT-UHFFFAOYSA-N 0 3 356.445 2.292 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC3(C[C@@H]3c3nnc(C)o3)CC2)CC1 ZINC000376229235 558144679 /nfs/dbraw/zinc/14/46/79/558144679.db2.gz XGGIBSHWSVASAL-MRXNPFEDSA-N 0 3 359.474 2.308 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000376334810 558159575 /nfs/dbraw/zinc/15/95/75/558159575.db2.gz QYMXHWQXEUOMIP-GOSISDBHSA-N 0 3 370.497 2.331 20 30 FEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000521691458 562182300 /nfs/dbraw/zinc/18/23/00/562182300.db2.gz VIODGMSVXAKVAM-IAGOWNOFSA-N 0 3 370.501 2.048 20 30 FEEDHN CCN(C)CCNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000376708490 558211813 /nfs/dbraw/zinc/21/18/13/558211813.db2.gz CAGLONVJXFWRIB-UHFFFAOYSA-N 0 3 350.413 2.121 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000376835024 558227682 /nfs/dbraw/zinc/22/76/82/558227682.db2.gz AKPZWMYUHSIFOQ-GOSISDBHSA-N 0 3 374.448 2.190 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000376837121 558227991 /nfs/dbraw/zinc/22/79/91/558227991.db2.gz ROAWPSMZMPSBLF-WBVHZDCISA-N 0 3 358.442 2.141 20 30 FEEDHN N#Cc1ccc(OC2CCC(NC(=O)N3CCN4CCC3CC4)CC2)nc1 ZINC000376913576 558238206 /nfs/dbraw/zinc/23/82/06/558238206.db2.gz DQHTVSIOVHKECU-UHFFFAOYSA-N 0 3 369.469 2.133 20 30 FEEDHN C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C1CCN(C)CC1 ZINC000376965747 558245381 /nfs/dbraw/zinc/24/53/81/558245381.db2.gz BHQKQBJOAVRPRB-QGZVFWFLSA-N 0 3 366.509 2.217 20 30 FEEDHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCc2ccc(CC#N)cc2)CC1 ZINC000522000055 562188597 /nfs/dbraw/zinc/18/85/97/562188597.db2.gz CZBLPCXUEJUTBJ-MRXNPFEDSA-N 0 3 371.481 2.423 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377360226 558324569 /nfs/dbraw/zinc/32/45/69/558324569.db2.gz XUDUOQWDPGDWPO-YSIASYRMSA-N 0 3 357.502 2.061 20 30 FEEDHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000411691741 558945329 /nfs/dbraw/zinc/94/53/29/558945329.db2.gz IEYDZVBMLRMVMY-UHFFFAOYSA-N 0 3 374.441 2.288 20 30 FEEDHN N#Cc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)nc1 ZINC000526945648 562270246 /nfs/dbraw/zinc/27/02/46/562270246.db2.gz FDEUOFBJSNMMHH-UHFFFAOYSA-N 0 3 352.360 2.488 20 30 FEEDHN CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000415391008 559230435 /nfs/dbraw/zinc/23/04/35/559230435.db2.gz KYUDWWSSNAJBFS-QGZVFWFLSA-N 0 3 350.422 2.242 20 30 FEEDHN N#CCCCOc1cccc(NC(=O)C(=O)NC[C@H](N)c2ccccc2)c1 ZINC000415396923 559231188 /nfs/dbraw/zinc/23/11/88/559231188.db2.gz VCVUVGIWELNRFJ-SFHVURJKSA-N 0 3 366.421 2.124 20 30 FEEDHN N#Cc1cc(NC(=O)NC[C@H]2CNCCO2)ccc1Oc1ccccc1 ZINC000415535559 559247503 /nfs/dbraw/zinc/24/75/03/559247503.db2.gz LUNLXOXTQOUJSA-QGZVFWFLSA-N 0 3 352.394 2.460 20 30 FEEDHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000415832595 559276350 /nfs/dbraw/zinc/27/63/50/559276350.db2.gz GWBSPTTXGRRFLR-SFHVURJKSA-N 0 3 350.422 2.070 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000419059889 559426686 /nfs/dbraw/zinc/42/66/86/559426686.db2.gz SBWIZTIRMBGUMH-FQEVSTJZSA-N 0 3 365.477 2.278 20 30 FEEDHN C=C(C)[C@@H](NC(=O)C(=O)N[C@@H](CN)CC(C)C)c1ccc(F)c(F)c1 ZINC000419678998 559453525 /nfs/dbraw/zinc/45/35/25/559453525.db2.gz OXCPNLSJNAOJQP-CZUORRHYSA-N 0 3 353.413 2.188 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000419964924 559466697 /nfs/dbraw/zinc/46/66/97/559466697.db2.gz WMLJFOKNIMFHMY-GFCCVEGCSA-N 0 3 357.907 2.406 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@H](c2ccc(SC)cc2)N(C)C)C1=O ZINC000419966488 559466872 /nfs/dbraw/zinc/46/68/72/559466872.db2.gz LJPGRCVZYMFOII-HZPDHXFCSA-N 0 3 363.483 2.134 20 30 FEEDHN C=CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419980919 559467613 /nfs/dbraw/zinc/46/76/13/559467613.db2.gz SNBVBNMRSVHDEO-SFHVURJKSA-N 0 3 361.461 2.364 20 30 FEEDHN C=CC1CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420067867 559470895 /nfs/dbraw/zinc/47/08/95/559470895.db2.gz YNJSMJIPSPDJTC-LJQANCHMSA-N 0 3 351.450 2.380 20 30 FEEDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000421303390 559537474 /nfs/dbraw/zinc/53/74/74/559537474.db2.gz SAMOJOSPRDDSML-AWEZNQCLSA-N 0 3 360.483 2.183 20 30 FEEDHN N#Cc1ccc(CNCCCN2C(=O)NC3(CCCCC3)C2=O)cc1F ZINC000421337402 559539584 /nfs/dbraw/zinc/53/95/84/559539584.db2.gz YYZSGDZXNTYBJR-UHFFFAOYSA-N 0 3 358.417 2.432 20 30 FEEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422396018 559584858 /nfs/dbraw/zinc/58/48/58/559584858.db2.gz HWWPPJBESXRTMJ-GOSISDBHSA-N 0 3 372.513 2.315 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000422533839 559593397 /nfs/dbraw/zinc/59/33/97/559593397.db2.gz YDICEMPNFIGICM-XLIONFOSSA-N 0 3 371.525 2.479 20 30 FEEDHN CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H](N)CCCC#N)c(F)cc1F ZINC000424112044 559655256 /nfs/dbraw/zinc/65/52/56/559655256.db2.gz ICLPVOLROSXIQD-LBPRGKRZSA-N 0 3 374.413 2.076 20 30 FEEDHN C=CCn1c([C@H]2CCCS2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000424117629 559655304 /nfs/dbraw/zinc/65/53/04/559655304.db2.gz BOMCWPCURYNFNR-HZPDHXFCSA-N 0 3 363.531 2.191 20 30 FEEDHN COC(=O)[C@H](CNC(=O)[C@H](N)CCCC#N)Cc1ccc2ccccc2c1 ZINC000424121943 559655414 /nfs/dbraw/zinc/65/54/14/559655414.db2.gz IQLRWRQEXUPHQR-RBUKOAKNSA-N 0 3 367.449 2.309 20 30 FEEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(Br)c1 ZINC000424124615 559655475 /nfs/dbraw/zinc/65/54/75/559655475.db2.gz MMWIENWHXCGVLG-BXUZGUMPSA-N 0 3 354.248 2.354 20 30 FEEDHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424151037 559656270 /nfs/dbraw/zinc/65/62/70/559656270.db2.gz GZODLJXHRDPETK-KBPBESRZSA-N 0 3 350.850 2.065 20 30 FEEDHN C=CCC1(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCOCC1 ZINC000424591034 559670462 /nfs/dbraw/zinc/67/04/62/559670462.db2.gz MVSOJRHQWXNLGK-UHFFFAOYSA-N 0 3 371.525 2.423 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425445608 559702620 /nfs/dbraw/zinc/70/26/20/559702620.db2.gz OBDGTIHULLKVRC-FUHWJXTLSA-N 0 3 374.485 2.135 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)nn1 ZINC000425567400 559710083 /nfs/dbraw/zinc/71/00/83/559710083.db2.gz SJSXUDJXARFZRW-WMLDXEAASA-N 0 3 374.514 2.408 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425875889 559723698 /nfs/dbraw/zinc/72/36/98/559723698.db2.gz FONVYFLTNGZCEG-MRXNPFEDSA-N 0 3 368.481 2.234 20 30 FEEDHN C=CCn1cc(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000425883636 559723826 /nfs/dbraw/zinc/72/38/26/559723826.db2.gz VUCLEEUWSQXMRA-IBGZPJMESA-N 0 3 368.485 2.270 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)c3cscc3C#N)cc2)CC1 ZINC000432704962 559863226 /nfs/dbraw/zinc/86/32/26/559863226.db2.gz FBRAZOPPUDCUNH-UHFFFAOYSA-N 0 3 354.479 2.297 20 30 FEEDHN Cc1cc(CN2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)on1 ZINC000433227023 559874237 /nfs/dbraw/zinc/87/42/37/559874237.db2.gz JHOOBUZSINWLFE-SFHVURJKSA-N 0 3 352.438 2.400 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000437986897 559972639 /nfs/dbraw/zinc/97/26/39/559972639.db2.gz NTEOJTYOGDJWKO-AEFFLSMTSA-N 0 3 353.507 2.156 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](COC)O[C@@H](C)C1)C(C)C ZINC000439699985 559999092 /nfs/dbraw/zinc/99/90/92/559999092.db2.gz QVIVCHADKQWOFM-RCCFBDPRSA-N 0 3 353.507 2.130 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000527458740 562288703 /nfs/dbraw/zinc/28/87/03/562288703.db2.gz NCGKLOYHVMLRCS-CVEARBPZSA-N 0 3 365.355 2.402 20 30 FEEDHN N#Cc1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)cn1 ZINC000443320092 560079732 /nfs/dbraw/zinc/07/97/32/560079732.db2.gz LULWKYBNAIIANX-UHFFFAOYSA-N 0 3 368.412 2.366 20 30 FEEDHN Cc1cc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)ccc1C#N ZINC000443892046 560095542 /nfs/dbraw/zinc/09/55/42/560095542.db2.gz PKHJLQUCXGYAEU-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN CN(C)CCc1ccccc1NC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000445616020 560133174 /nfs/dbraw/zinc/13/31/74/560133174.db2.gz MAQXQZFNOVKAPW-UHFFFAOYSA-N 0 3 364.449 2.259 20 30 FEEDHN COCC[C@@]1(NCC(=O)N(CCC#N)c2cccc(Cl)c2)CCOC1 ZINC000447402661 560161593 /nfs/dbraw/zinc/16/15/93/560161593.db2.gz LKHVKLSJPGIDMV-GOSISDBHSA-N 0 3 365.861 2.372 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000448694743 560194679 /nfs/dbraw/zinc/19/46/79/560194679.db2.gz PPZLNYXOBBLQDY-UHFFFAOYSA-N 0 3 365.481 2.262 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000448983392 560210189 /nfs/dbraw/zinc/21/01/89/560210189.db2.gz NKFIPIFRUQPJDX-UHFFFAOYSA-N 0 3 352.438 2.082 20 30 FEEDHN CCOC(=O)[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CC12COC2 ZINC000449367537 560227487 /nfs/dbraw/zinc/22/74/87/560227487.db2.gz WYDHJTSHDMZOKP-SFHVURJKSA-N 0 3 358.438 2.381 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)CC1 ZINC000449497086 560231717 /nfs/dbraw/zinc/23/17/17/560231717.db2.gz KDMUZBQZBLIHBY-LJQANCHMSA-N 0 3 372.488 2.464 20 30 FEEDHN N#Cc1ccc(CNc2cc(N3CCOCC3)c(Br)cn2)o1 ZINC000449768689 560239602 /nfs/dbraw/zinc/23/96/02/560239602.db2.gz SUBPHZKBVIJMPT-UHFFFAOYSA-N 0 3 363.215 2.757 20 30 FEEDHN C[C@H]1CN(CCCNc2ncc(Br)cc2C#N)CCCO1 ZINC000450488036 560263858 /nfs/dbraw/zinc/26/38/58/560263858.db2.gz ODLIORHXDDUWMJ-LBPRGKRZSA-N 0 3 353.264 2.629 20 30 FEEDHN C[C@H]1[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCCN1C ZINC000450545996 560265632 /nfs/dbraw/zinc/26/56/32/560265632.db2.gz CVVLIVMEWCGXTG-XHDPSFHLSA-N 0 3 366.259 2.298 20 30 FEEDHN CC[C@H]1[C@@H](CO)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451253354 560296054 /nfs/dbraw/zinc/29/60/54/560296054.db2.gz JNWGCEWMFDTREN-WBVHZDCISA-N 0 3 368.399 2.266 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000451606371 560317162 /nfs/dbraw/zinc/31/71/62/560317162.db2.gz IASFXYOIIOAVAV-MSOLQXFVSA-N 0 3 361.511 2.107 20 30 FEEDHN CC(C)OCCOC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000451951091 560340333 /nfs/dbraw/zinc/34/03/33/560340333.db2.gz CBXGQIXOMSLUQR-GOSISDBHSA-N 0 3 362.470 2.204 20 30 FEEDHN Cn1cc(Br)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000452768763 560373529 /nfs/dbraw/zinc/37/35/29/560373529.db2.gz VVPUPDNDFVHAFO-CYBMUJFWSA-N 0 3 372.226 2.053 20 30 FEEDHN CCN(CC)CCNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453644753 560392987 /nfs/dbraw/zinc/39/29/87/560392987.db2.gz NNCBVVRGFTWJES-UHFFFAOYSA-N 0 3 360.458 2.132 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)C(C)(C)O)cc1 ZINC000455261646 560476021 /nfs/dbraw/zinc/47/60/21/560476021.db2.gz WREIRKVMHWUBPD-LBPRGKRZSA-N 0 3 367.471 2.291 20 30 FEEDHN N#CCc1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)c(Cl)c1 ZINC000455735237 560493265 /nfs/dbraw/zinc/49/32/65/560493265.db2.gz QEVAYKKBMRQOFJ-AWEZNQCLSA-N 0 3 350.850 2.374 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000455949288 560501658 /nfs/dbraw/zinc/50/16/58/560501658.db2.gz CSOZTDJXVLFCOF-VQIMIIECSA-N 0 3 355.486 2.356 20 30 FEEDHN CC(C)(CC#N)CNC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000458663973 560639258 /nfs/dbraw/zinc/63/92/58/560639258.db2.gz VBGOQRXXOPDHKG-GOSISDBHSA-N 0 3 358.486 2.382 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1nn(C)cc1Cl ZINC000458993185 560660944 /nfs/dbraw/zinc/66/09/44/560660944.db2.gz VFDQIVMCPSSGJF-UHFFFAOYSA-N 0 3 374.876 2.219 20 30 FEEDHN CC(C)(C)OC(=O)[C@]1(C)CCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000459585152 560696147 /nfs/dbraw/zinc/69/61/47/560696147.db2.gz OUGWQIQOQJXVAU-OXJNMPFZSA-N 0 3 360.454 2.352 20 30 FEEDHN COc1cc(CNC(=O)N(CCN(C)C)Cc2ccccn2)ccc1C#N ZINC000462470530 560811400 /nfs/dbraw/zinc/81/14/00/560811400.db2.gz CUIBKLOIGBICFH-UHFFFAOYSA-N 0 3 367.453 2.235 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCCCC[C@H]1C(N)=O)C(C)C ZINC000466221442 560882116 /nfs/dbraw/zinc/88/21/16/560882116.db2.gz DWSWJHWRBLCQLG-FGTMMUONSA-N 0 3 364.534 2.418 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000467022458 560901767 /nfs/dbraw/zinc/90/17/67/560901767.db2.gz IOSAOSGOWRJFBK-YOEHRIQHSA-N 0 3 357.454 2.325 20 30 FEEDHN CC(C#N)C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000469742873 560963583 /nfs/dbraw/zinc/96/35/83/560963583.db2.gz RAVHXWFBLXKJGL-LBPRGKRZSA-N 0 3 359.407 2.053 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000470170411 560975992 /nfs/dbraw/zinc/97/59/92/560975992.db2.gz UMZVTXIHFNKFKC-GOSISDBHSA-N 0 3 357.502 2.479 20 30 FEEDHN CCN(CC)CCNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000473340870 561047898 /nfs/dbraw/zinc/04/78/98/561047898.db2.gz SSHZOBUILXYYQV-UHFFFAOYSA-N 0 3 363.461 2.483 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1)C(C)C ZINC000474062684 561064815 /nfs/dbraw/zinc/06/48/15/561064815.db2.gz WPYGBEIOVNULDY-NLWGTHIKSA-N 0 3 365.518 2.274 20 30 FEEDHN CN(C(=O)Cc1ccc(C#N)nc1)C1CCN(CCc2ccccn2)CC1 ZINC000528328399 562322725 /nfs/dbraw/zinc/32/27/25/562322725.db2.gz SDZRJUCLPQJYHX-UHFFFAOYSA-N 0 3 363.465 2.056 20 30 FEEDHN C[C@@H]1N(CC#CCN2C(=O)c3ccccc3C2=O)CCC12CCOCC2 ZINC000528447184 562329862 /nfs/dbraw/zinc/32/98/62/562329862.db2.gz XGURWPKLEUYNQV-INIZCTEOSA-N 0 3 352.434 2.177 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000530231561 562403136 /nfs/dbraw/zinc/40/31/36/562403136.db2.gz KJMDESFJQDJOMK-CVEARBPZSA-N 0 3 373.403 2.445 20 30 FEEDHN C=CCN(C(=O)NC1CCN(C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000531244207 562439338 /nfs/dbraw/zinc/43/93/38/562439338.db2.gz GRCFIUNNOIZVMV-OAHLLOKOSA-N 0 3 369.473 2.015 20 30 FEEDHN CC1CC(C#N)(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000531808005 562457305 /nfs/dbraw/zinc/45/73/05/562457305.db2.gz HOEJJUUSACGCAV-CZDRUDQFSA-N 0 3 354.454 2.262 20 30 FEEDHN N#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)s1 ZINC000536434017 562575458 /nfs/dbraw/zinc/57/54/58/562575458.db2.gz UNPPWLCGCGNVIW-WBVHZDCISA-N 0 3 355.463 2.233 20 30 FEEDHN COC(=O)C[C@@H](NCC(=O)NCc1cccc(C#N)c1)C1CCCCC1 ZINC000541602870 562616300 /nfs/dbraw/zinc/61/63/00/562616300.db2.gz ZGBZWIJDWWVKOT-GOSISDBHSA-N 0 3 357.454 2.276 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c(OCCN(C)C)c1 ZINC000602072561 567916326 /nfs/dbraw/zinc/91/63/26/567916326.db2.gz DECBKXUKNOADON-NVXWUHKLSA-N 0 3 372.469 2.025 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)NCC(C)(C)CCC#N)ccc2[nH]c1=O ZINC000602154868 567943991 /nfs/dbraw/zinc/94/39/91/567943991.db2.gz MQOOHXCIHYNARW-UHFFFAOYSA-N 0 3 357.458 2.363 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)ccc2[nH]c1=O ZINC000602196604 567950173 /nfs/dbraw/zinc/95/01/73/567950173.db2.gz PKUOOPYTGLFMAG-GDBMZVCRSA-N 0 3 355.442 2.068 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(CS(C)(=O)=O)c1 ZINC000602531640 567988381 /nfs/dbraw/zinc/98/83/81/567988381.db2.gz WBBZXZYIFDTASK-OAHLLOKOSA-N 0 3 350.484 2.420 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000602510602 567989197 /nfs/dbraw/zinc/98/91/97/567989197.db2.gz KCGZISJTVMZIGN-KRWDZBQOSA-N 0 3 357.502 2.022 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000602538946 567992708 /nfs/dbraw/zinc/99/27/08/567992708.db2.gz FZCCDPVRFUNSSL-ZIAGYGMSSA-N 0 3 354.397 2.393 20 30 FEEDHN N#CC1(C[C@H](O)CN2CC[C@@H](c3ccc4cccnc4n3)C2)CCOCC1 ZINC000602882019 568004672 /nfs/dbraw/zinc/00/46/72/568004672.db2.gz IRNKZSADTPSTSQ-MSOLQXFVSA-N 0 3 366.465 2.490 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@](C)(CO)Cc2ccc(F)cc2)CC1 ZINC000636742103 568005377 /nfs/dbraw/zinc/00/53/77/568005377.db2.gz JVTJDLRYKCSXFM-HXUWFJFHSA-N 0 3 363.477 2.459 20 30 FEEDHN N#CCCN(C(=O)CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1)c1ccccc1 ZINC000602894581 568013819 /nfs/dbraw/zinc/01/38/19/568013819.db2.gz XXQGLQXGEQSDLE-QUCCMNQESA-N 0 3 371.481 2.233 20 30 FEEDHN C=CCC[C@H](O)CN1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 ZINC000602969014 568026306 /nfs/dbraw/zinc/02/63/06/568026306.db2.gz XBBWDCLGDPNWAX-ZDUSSCGKSA-N 0 3 372.416 2.356 20 30 FEEDHN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000603083931 568058930 /nfs/dbraw/zinc/05/89/30/568058930.db2.gz PMVFGXUWCQAMQS-FQEVSTJZSA-N 0 3 372.469 2.382 20 30 FEEDHN CN(C)CCN(CCC(=O)Nc1sccc1C#N)Cc1ccccn1 ZINC000568645047 568106866 /nfs/dbraw/zinc/10/68/66/568106866.db2.gz XNTPVHQOGQYDNA-UHFFFAOYSA-N 0 3 357.483 2.407 20 30 FEEDHN COc1cccc(CN(CCN(C)C)Cc2cnc3c(C#N)cnn3c2)c1 ZINC000568865899 568238679 /nfs/dbraw/zinc/23/86/79/568238679.db2.gz ABWNTXWFTDSMTJ-UHFFFAOYSA-N 0 3 364.453 2.173 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521755 568308240 /nfs/dbraw/zinc/30/82/40/568308240.db2.gz XPWPPPIPNRSYAC-JQHSSLGASA-N 0 3 359.470 2.486 20 30 FEEDHN N#Cc1ccc(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000569592049 568408705 /nfs/dbraw/zinc/40/87/05/568408705.db2.gz ORGICRKSQIWSSV-IBGZPJMESA-N 0 3 370.478 2.056 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000557853558 674471401 /nfs/dbraw/zinc/47/14/01/674471401.db2.gz AKWDAKMMWSOZJA-MLGOLLRUSA-N 0 3 353.875 2.459 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000819743585 599698199 /nfs/dbraw/zinc/69/81/99/599698199.db2.gz MPSUARAUNCDBFR-HUUCEWRRSA-N 0 3 354.458 2.254 20 30 FEEDHN Cc1ccc(-c2nnn[n-]2)c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000822215130 607226825 /nfs/dbraw/zinc/22/68/25/607226825.db2.gz MQFUGIFHWGMJJR-UHFFFAOYSA-N 0 3 374.452 2.154 20 30 FEEDHN Cc1ccc(-c2nnn[n-]2)c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000822215130 607226826 /nfs/dbraw/zinc/22/68/26/607226826.db2.gz MQFUGIFHWGMJJR-UHFFFAOYSA-N 0 3 374.452 2.154 20 30 FEEDHN CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419139 608088487 /nfs/dbraw/zinc/08/84/87/608088487.db2.gz IHBSCNWLTVOCDY-AWEZNQCLSA-N 0 3 355.446 2.012 20 30 FEEDHN CC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419139 608088488 /nfs/dbraw/zinc/08/84/88/608088488.db2.gz IHBSCNWLTVOCDY-AWEZNQCLSA-N 0 3 355.446 2.012 20 30 FEEDHN CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825419139 608088489 /nfs/dbraw/zinc/08/84/89/608088489.db2.gz IHBSCNWLTVOCDY-AWEZNQCLSA-N 0 3 355.446 2.012 20 30 FEEDHN CC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825419139 608088490 /nfs/dbraw/zinc/08/84/90/608088490.db2.gz IHBSCNWLTVOCDY-AWEZNQCLSA-N 0 3 355.446 2.012 20 30 FEEDHN Cc1nn(-c2ccccc2)c(C[NH+]2CCC(CC#N)CC2)c1-c1nnn[n-]1 ZINC000826331888 609428445 /nfs/dbraw/zinc/42/84/45/609428445.db2.gz BTBTYIWHJFXBMY-UHFFFAOYSA-N 0 3 362.441 2.487 20 30 FEEDHN CO[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)C1 ZINC000816037671 675000797 /nfs/dbraw/zinc/00/07/97/675000797.db2.gz UWJOMIKKEYSRDO-KCPJHIHWSA-N 0 3 350.365 2.495 20 30 FEEDHN CC[C@H](CC#N)NC[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816570589 675065744 /nfs/dbraw/zinc/06/57/44/675065744.db2.gz ZLVWIJSFSZAKER-HUUCEWRRSA-N 0 3 352.479 2.032 20 30 FEEDHN N#CC(C(=O)CCc1nnc(-c2ccsc2)o1)C(=O)NC1CCCC1 ZINC000051653706 670302317 /nfs/dbraw/zinc/30/23/17/670302317.db2.gz BYGMANOROYGDBR-ZDUSSCGKSA-N 0 3 358.423 2.498 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2cc(Cl)ccc2s1)S(C)(=O)=O ZINC000076607045 670552458 /nfs/dbraw/zinc/55/24/58/670552458.db2.gz IGTVANLGWSWHSX-VIFPVBQESA-N 0 3 357.844 2.017 20 30 FEEDHN N#CCC[C@@H](C#N)CNCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000570709726 670757091 /nfs/dbraw/zinc/75/70/91/670757091.db2.gz OWKXUFKNXRTDOB-KRWDZBQOSA-N 0 3 360.483 2.120 20 30 FEEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCS(C)(=O)=O ZINC000108937900 670834670 /nfs/dbraw/zinc/83/46/70/670834670.db2.gz KHWFCKHEAVEZPJ-OAHLLOKOSA-N 0 3 364.467 2.284 20 30 FEEDHN Cc1cn2c(n1)[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000566114167 675182264 /nfs/dbraw/zinc/18/22/64/675182264.db2.gz BKVQJIYWVGXQMW-INIZCTEOSA-N 0 3 358.467 2.004 20 30 FEEDHN CN(Cc1cccc(NC(=O)[C@@H](N)CCCC#N)c1)C(=O)C(F)(F)F ZINC000818075675 675194497 /nfs/dbraw/zinc/19/44/97/675194497.db2.gz ZEPWIUPWLTUUCW-ZDUSSCGKSA-N 0 3 356.348 2.167 20 30 FEEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000578350565 671658912 /nfs/dbraw/zinc/65/89/12/671658912.db2.gz QJICDPSPXVSRAY-LNPFQXMTSA-N 0 3 368.524 2.001 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000125171852 672008259 /nfs/dbraw/zinc/00/82/59/672008259.db2.gz WLKSRYMKEIXACC-JSGCOSHPSA-N 0 3 352.818 2.277 20 30 FEEDHN Cc1cn2c(n1)[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000583747794 672122876 /nfs/dbraw/zinc/12/28/76/672122876.db2.gz DSBYUHBKFWVWTD-MRXNPFEDSA-N 0 3 358.467 2.004 20 30 FEEDHN C#CCOc1ccc(CNCCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000159031216 672276397 /nfs/dbraw/zinc/27/63/97/672276397.db2.gz NUDOLELGSCAJMQ-UHFFFAOYSA-N 0 3 364.492 2.137 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Br)s1 ZINC000173938489 672355903 /nfs/dbraw/zinc/35/59/03/672355903.db2.gz XIMWCCXZLSRBMX-UWVGGRQHSA-N 0 3 373.272 2.476 20 30 FEEDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000590588221 672592821 /nfs/dbraw/zinc/59/28/21/672592821.db2.gz DTRASINMQZMXOY-IINYFYTJSA-N 0 3 372.288 2.034 20 30 FEEDHN C=CCn1c(C2CC2)nn(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1=S ZINC000188962244 672603987 /nfs/dbraw/zinc/60/39/87/672603987.db2.gz BFINMNOZQHSSLG-CQSZACIVSA-N 0 3 365.547 2.212 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594069546 673028040 /nfs/dbraw/zinc/02/80/40/673028040.db2.gz DLEJIOMAFHGRTG-SOUVJXGZSA-N 0 3 360.483 2.221 20 30 FEEDHN CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C1 ZINC000328911857 673069231 /nfs/dbraw/zinc/06/92/31/673069231.db2.gz ONCATYNBBMPLNY-HNNXBMFYSA-N 0 3 365.499 2.225 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000594428168 673070812 /nfs/dbraw/zinc/07/08/12/673070812.db2.gz LOPGINGRQSWVKG-CYBMUJFWSA-N 0 3 356.348 2.328 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCOc2cccc(Br)c2C1 ZINC000594452547 673074303 /nfs/dbraw/zinc/07/43/03/673074303.db2.gz OOTBGPOFDWLYBJ-CYBMUJFWSA-N 0 3 352.232 2.191 20 30 FEEDHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000329482962 673078286 /nfs/dbraw/zinc/07/82/86/673078286.db2.gz QBTDFICYWBMQJN-HOCLYGCPSA-N 0 3 352.479 2.031 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCCN(C)[C@H]2c2cccs2)C1=O ZINC000348579703 673115827 /nfs/dbraw/zinc/11/58/27/673115827.db2.gz YEODMAVQLAZBGQ-IJEWVQPXSA-N 0 3 363.483 2.254 20 30 FEEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCCC#N ZINC000426434584 673209948 /nfs/dbraw/zinc/20/99/48/673209948.db2.gz YYFXJNZYGWJJDY-UHFFFAOYSA-N 0 3 353.264 2.436 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCCN1CCO[C@@H](C)C1 ZINC000729682820 673243472 /nfs/dbraw/zinc/24/34/72/673243472.db2.gz AQIYXTRHMQQJNI-AWEZNQCLSA-N 0 3 367.287 2.271 20 30 FEEDHN CCOCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000729890200 673252002 /nfs/dbraw/zinc/25/20/02/673252002.db2.gz YZLMLTSMNBEFJI-AAEUAGOBSA-N 0 3 368.817 2.438 20 30 FEEDHN N#Cc1sccc1N1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000595938037 673342058 /nfs/dbraw/zinc/34/20/58/673342058.db2.gz JXDUIOBFIBLOBL-UHFFFAOYSA-N 0 3 358.492 2.289 20 30 FEEDHN Cc1cc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)n(CCC#N)n1 ZINC000596892738 673423365 /nfs/dbraw/zinc/42/33/65/673423365.db2.gz DEHIQHUZJPHHSK-RYUDHWBXSA-N 0 3 360.336 2.028 20 30 FEEDHN CCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCN(C)C1 ZINC000597947211 673522558 /nfs/dbraw/zinc/52/25/58/673522558.db2.gz VSCRRRSEXKYLRR-GFCCVEGCSA-N 0 3 366.259 2.252 20 30 FEEDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000598536598 673580116 /nfs/dbraw/zinc/58/01/16/673580116.db2.gz UADRVMALRHTLJQ-AWEZNQCLSA-N 0 3 362.861 2.322 20 30 FEEDHN CN(C)[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)c1ccsc1 ZINC000603271312 673920608 /nfs/dbraw/zinc/92/06/08/673920608.db2.gz MLRJLOXLUXTUFT-MRXNPFEDSA-N 0 3 364.496 2.123 20 30 FEEDHN N#Cc1cc(N2CCC(CN3CCOCC3)CC2)ncc1Br ZINC000603276828 673921563 /nfs/dbraw/zinc/92/15/63/673921563.db2.gz NSVHUSGBXHWUNT-UHFFFAOYSA-N 0 3 365.275 2.264 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(I)c(F)c1 ZINC000818589332 675226524 /nfs/dbraw/zinc/22/65/24/675226524.db2.gz WYWFQUZQGSJYFR-UHFFFAOYSA-N 0 3 374.197 2.115 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H](CCO)c2ccccc2)c1 ZINC000567588736 675304434 /nfs/dbraw/zinc/30/44/34/675304434.db2.gz HZOFHQZSUVKMEX-SFHVURJKSA-N 0 3 358.463 2.088 20 30 FEEDHN COC(=O)c1ccc(Br)c(N=NC2CCN(CCO)CC2)c1 ZINC000819812660 675316193 /nfs/dbraw/zinc/31/61/93/675316193.db2.gz FSIISYNVNAGTGI-UHFFFAOYSA-N 0 3 370.247 2.092 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000820687854 675378976 /nfs/dbraw/zinc/37/89/76/675378976.db2.gz CFYFWTRDTRXEKW-UHFFFAOYSA-N 0 3 361.243 2.077 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@H]1CCCCN1CCO)c1ccc(Cl)cc1F ZINC000820750141 675385081 /nfs/dbraw/zinc/38/50/81/675385081.db2.gz LAQUQOXGWRRHFE-PBHICJAKSA-N 0 3 367.852 2.299 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](C)NC2CC2)nc1C ZINC000826531932 675690636 /nfs/dbraw/zinc/69/06/36/675690636.db2.gz PYTUQRJEDZZZMQ-VIFPVBQESA-N 0 3 364.500 2.264 20 30 FEEDHN CCC1(N2CCOCC2)CCN(C(=O)C2(C#N)CCSCC2)CC1 ZINC000827620591 675768591 /nfs/dbraw/zinc/76/85/91/675768591.db2.gz MJMAIFHDNLXIOE-UHFFFAOYSA-N 0 3 351.516 2.127 20 30 FEEDHN N#CCc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000619492383 676380950 /nfs/dbraw/zinc/38/09/50/676380950.db2.gz MQTCMELUYWUDKS-APWZRJJASA-N 0 3 359.495 2.390 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(C)c2OC)CC1 ZINC000627366045 676751998 /nfs/dbraw/zinc/75/19/98/676751998.db2.gz FSLCZZQWBFQHEC-UHFFFAOYSA-N 0 3 365.861 2.362 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCCNc1cnccn1 ZINC000760699878 680698292 /nfs/dbraw/zinc/69/82/92/680698292.db2.gz CPISIOGSPPUAEC-UHFFFAOYSA-N 0 3 361.243 2.453 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1I ZINC000838624116 680706833 /nfs/dbraw/zinc/70/68/33/680706833.db2.gz HUZWTOXTNDBLOB-UHFFFAOYSA-N 0 3 371.222 2.368 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(SC)c1 ZINC000839564116 680761959 /nfs/dbraw/zinc/76/19/59/680761959.db2.gz OLZHMESFGUXLJJ-UHFFFAOYSA-N 0 3 353.875 2.072 20 30 FEEDHN C=CCOc1ccc(CN(CCN(C)C)CC(=O)N(C)C)cc1Cl ZINC000668558668 679185174 /nfs/dbraw/zinc/18/51/74/679185174.db2.gz NVKNXFCTSPDNKF-UHFFFAOYSA-N 0 3 353.894 2.357 20 30 FEEDHN C#CCOc1ccc([C@H](C)NCCNS(=O)(=O)c2ccccc2)cc1 ZINC000765409202 680841237 /nfs/dbraw/zinc/84/12/37/680841237.db2.gz NAEFBNSVPNHZQD-INIZCTEOSA-N 0 3 358.463 2.328 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000833612471 680196410 /nfs/dbraw/zinc/19/64/10/680196410.db2.gz RSVDWBIHSRAYBV-UHFFFAOYSA-N 0 3 356.289 2.175 20 30 FEEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CSC(F)F)cc1 ZINC000835063765 680292615 /nfs/dbraw/zinc/29/26/15/680292615.db2.gz ADEHWADWQADPDF-NSHDSACASA-N 0 3 356.350 2.466 20 30 FEEDHN Cn1ncc(CCC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000835065254 680292629 /nfs/dbraw/zinc/29/26/29/680292629.db2.gz NVRKWUPNAKWPPE-ZDUSSCGKSA-N 0 3 366.208 2.402 20 30 FEEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CSC(F)F)cc1 ZINC000835063757 680292650 /nfs/dbraw/zinc/29/26/50/680292650.db2.gz ADEHWADWQADPDF-LLVKDONJSA-N 0 3 356.350 2.466 20 30 FEEDHN CC(C)N1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)[C@@H](C)C1 ZINC000754258389 680346044 /nfs/dbraw/zinc/34/60/44/680346044.db2.gz MDWZFUYGUTWWJD-ZDUSSCGKSA-N 0 3 367.519 2.286 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC(NCc2snnc2C)C1 ZINC000999524470 680405266 /nfs/dbraw/zinc/40/52/66/680405266.db2.gz UAVVZYKIKAQFSY-NDTCATRNSA-N 0 3 364.515 2.297 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000836203921 680435249 /nfs/dbraw/zinc/43/52/49/680435249.db2.gz AVIQIOPIBZFIAL-UHFFFAOYSA-N 0 3 357.376 2.382 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccccc1OCC(F)(F)F ZINC000836229316 680438260 /nfs/dbraw/zinc/43/82/60/680438260.db2.gz AZSBUVXEWOHSRS-UHFFFAOYSA-N 0 3 357.376 2.382 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1CCC1CCOCC1 ZINC001038800951 680461260 /nfs/dbraw/zinc/46/12/60/680461260.db2.gz VXABUDCKIPEHRG-FHWLQOOXSA-N 0 3 350.503 2.365 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(CCc2ccns2)CC1 ZINC001001935382 680482660 /nfs/dbraw/zinc/48/26/60/680482660.db2.gz UXTZJJBICSUBHK-ROUUACIJSA-N 0 3 363.527 2.495 20 30 FEEDHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043356783 680577053 /nfs/dbraw/zinc/57/70/53/680577053.db2.gz QHPXUSYXUXQENE-ZYHUDNBSSA-N 0 3 367.906 2.411 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cnn(CC)c2Br)CC1 ZINC000874436564 685388012 /nfs/dbraw/zinc/38/80/12/685388012.db2.gz KUEBQAFDHOIRQT-UHFFFAOYSA-N 0 3 355.280 2.436 20 30 FEEDHN COc1ccc(C#N)cc1COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000772258013 681090558 /nfs/dbraw/zinc/09/05/58/681090558.db2.gz ZTKWGAXFQPUFQJ-WCQYABFASA-N 0 3 356.300 2.067 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000932141039 681183076 /nfs/dbraw/zinc/18/30/76/681183076.db2.gz NPPGGONJSPBZLO-UHFFFAOYSA-N 0 3 363.259 2.477 20 30 FEEDHN CN(C(=O)Nc1ccc(Br)c(C#N)n1)[C@H]1CCCN(C)C1 ZINC000932159205 681185120 /nfs/dbraw/zinc/18/51/20/681185120.db2.gz WHBHOULBCZJSRT-JTQLQIEISA-N 0 3 352.236 2.274 20 30 FEEDHN C[NH+]1CCC(O[N-]C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000846651669 681272294 /nfs/dbraw/zinc/27/22/94/681272294.db2.gz XOJIWEAVVPJSDA-UHFFFAOYSA-N 0 3 352.232 2.005 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000847620478 681406842 /nfs/dbraw/zinc/40/68/42/681406842.db2.gz AMTGABOGVIMMPZ-HOCLYGCPSA-N 0 3 350.802 2.163 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(-c3cnn(C)c3)ns2)CC1 ZINC000934576178 681595023 /nfs/dbraw/zinc/59/50/23/681595023.db2.gz FGJBPQAIAVGJDF-UHFFFAOYSA-N 0 3 361.475 2.101 20 30 FEEDHN CC(C)N1CCO[C@@H](C(=N)NOCc2cc(Cl)ccc2OCC#N)C1 ZINC000779652701 681735677 /nfs/dbraw/zinc/73/56/77/681735677.db2.gz HVPUPNMQDAMCMM-MRXNPFEDSA-N 0 3 366.849 2.350 20 30 FEEDHN CC(C)N1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1=O ZINC000780373259 681819498 /nfs/dbraw/zinc/81/94/98/681819498.db2.gz WLOHKRHQEBCNBY-CYBMUJFWSA-N 0 3 356.451 2.025 20 30 FEEDHN C[C@H](CC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F)[C@H]1CCCO1 ZINC000850977560 681992471 /nfs/dbraw/zinc/99/24/71/681992471.db2.gz YSBCMMRVYHMGTF-HYSWKAIVSA-N 0 3 350.365 2.495 20 30 FEEDHN Cn1cccc1C=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000916307146 685523403 /nfs/dbraw/zinc/52/34/03/685523403.db2.gz STUQWTBHYFDNRG-UHFFFAOYSA-N 0 3 355.511 2.488 20 30 FEEDHN CC(=O)N1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000917074445 685529443 /nfs/dbraw/zinc/52/94/43/685529443.db2.gz ORWGBMGBHBBJHK-AWEZNQCLSA-N 0 3 356.451 2.027 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(CCc2scnc2C)C1 ZINC000969693325 682272831 /nfs/dbraw/zinc/27/28/31/682272831.db2.gz RPEQLZHUODFSSK-XKQJLSEDSA-N 0 3 363.527 2.412 20 30 FEEDHN COC[C@H](C#N)OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000785227097 682281287 /nfs/dbraw/zinc/28/12/87/682281287.db2.gz ADWHJUXJMJBECP-QWRGUYRKSA-N 0 3 357.193 2.428 20 30 FEEDHN COc1ccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)cc1C#N ZINC000788654541 682546830 /nfs/dbraw/zinc/54/68/30/682546830.db2.gz QIJFNQPABZJMAC-UHFFFAOYSA-N 0 3 359.451 2.107 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796514426 683167557 /nfs/dbraw/zinc/16/75/57/683167557.db2.gz LDUQAKMMPWMBLW-CJNGLKHVSA-N 0 3 357.376 2.330 20 30 FEEDHN C#CCC[C@@H](O)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000799212320 683436834 /nfs/dbraw/zinc/43/68/34/683436834.db2.gz XGHXELBGXQNLEW-GOSISDBHSA-N 0 3 361.511 2.174 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861871831 683489699 /nfs/dbraw/zinc/48/96/99/683489699.db2.gz BGYPITBGYLVLBH-UHFFFAOYSA-N 0 3 373.400 2.308 20 30 FEEDHN C#CCN(C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1)C1CCN(C)CC1 ZINC000921648716 683531467 /nfs/dbraw/zinc/53/14/67/683531467.db2.gz RHTAXKUIHHQVFT-MQNRADLISA-N 0 3 361.511 2.224 20 30 FEEDHN C#CCN(C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12)C1CCN(C)CC1 ZINC000921701955 683549086 /nfs/dbraw/zinc/54/90/86/683549086.db2.gz VOUSIHWCUGKPAK-BZUAXINKSA-N 0 3 353.557 2.105 20 30 FEEDHN N#CC1(C[C@H](O)CNCc2ccc(Br)cn2)CCOCC1 ZINC000872233840 684930249 /nfs/dbraw/zinc/93/02/49/684930249.db2.gz HIIDKTQJJTXWOL-AWEZNQCLSA-N 0 3 354.248 2.005 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000876611907 686228461 /nfs/dbraw/zinc/22/84/61/686228461.db2.gz VOOOPNPPZBBCFM-MRXNPFEDSA-N 0 3 355.910 2.488 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC ZINC000876626250 686231472 /nfs/dbraw/zinc/23/14/72/686231472.db2.gz TUQOWMDJGBQSLI-ZDUSSCGKSA-N 0 3 351.834 2.340 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000876638825 686234472 /nfs/dbraw/zinc/23/44/72/686234472.db2.gz OWLMXXBXJBUQRP-HNNXBMFYSA-N 0 3 353.825 2.473 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000876680668 686242334 /nfs/dbraw/zinc/24/23/34/686242334.db2.gz GVXWFSHIIVGSPN-STQMWFEESA-N 0 3 356.253 2.422 20 30 FEEDHN CN(C)[C@@H](CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)c1cccs1 ZINC000876710153 686249660 /nfs/dbraw/zinc/24/96/60/686249660.db2.gz FLAHNLONRGIJOU-FUHWJXTLSA-N 0 3 354.479 2.226 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000876726348 686254330 /nfs/dbraw/zinc/25/43/30/686254330.db2.gz DGASVQGNERWJKK-NSHDSACASA-N 0 3 350.772 2.489 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000876903123 686291844 /nfs/dbraw/zinc/29/18/44/686291844.db2.gz LBTOKYAVPWNTDJ-MRXNPFEDSA-N 0 3 358.873 2.480 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(NS(C)(=O)=O)c1 ZINC000876907355 686292380 /nfs/dbraw/zinc/29/23/80/686292380.db2.gz QKWCETYQMPLVLG-AWEZNQCLSA-N 0 3 351.472 2.247 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000876963715 686301781 /nfs/dbraw/zinc/30/17/81/686301781.db2.gz UGDZDZKQPNVDHZ-GOEBONIOSA-N 0 3 350.846 2.479 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000877082111 686323196 /nfs/dbraw/zinc/32/31/96/686323196.db2.gz WGKUUFKANXCXGL-AWEZNQCLSA-N 0 3 353.850 2.087 20 30 FEEDHN CN(C)S(=O)(=O)c1cccc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000879432034 686820700 /nfs/dbraw/zinc/82/07/00/686820700.db2.gz AESARJDHJMNKQK-UHFFFAOYSA-N 0 3 357.479 2.483 20 30 FEEDHN C=CCCc1ccc(S(=O)(=O)N2CCOC3(CCN(C)CC3)C2)cc1 ZINC000882311299 687345213 /nfs/dbraw/zinc/34/52/13/687345213.db2.gz JTMZBDSZAGIKPK-UHFFFAOYSA-N 0 3 364.511 2.291 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccc(OC(F)(F)F)cc1)C2 ZINC000884063533 687782198 /nfs/dbraw/zinc/78/21/98/687782198.db2.gz CTFWUEWERLPNLJ-MFOWVQHXSA-N 0 3 353.344 2.341 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1Cl ZINC000884100913 687789207 /nfs/dbraw/zinc/78/92/07/687789207.db2.gz JBVIPWRPKCCNMD-LASWEOPPSA-N 0 3 360.845 2.120 20 30 FEEDHN C#CCN(C(=O)c1cnn(C(C)C)c1Br)C1CCN(C)CC1 ZINC000886572366 688278385 /nfs/dbraw/zinc/27/83/85/688278385.db2.gz JEXKEWRVWIQKAG-UHFFFAOYSA-N 0 3 367.291 2.396 20 30 FEEDHN C#CCN(C(=O)c1nc(Br)sc1C)C1CCN(C)CC1 ZINC000886577312 688278702 /nfs/dbraw/zinc/27/87/02/688278702.db2.gz DGSYAWPKQWFUDK-UHFFFAOYSA-N 0 3 356.289 2.384 20 30 FEEDHN C#CCN(C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886581144 688279821 /nfs/dbraw/zinc/27/98/21/688279821.db2.gz LBVCAMZZZWBOSO-HNNXBMFYSA-N 0 3 351.491 2.045 20 30 FEEDHN CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000887965636 688527367 /nfs/dbraw/zinc/52/73/67/688527367.db2.gz KPXCWSMBEBCPDQ-IAGOWNOFSA-N 0 3 357.483 2.047 20 30 FEEDHN C=CCOc1ccc(Br)cc1NC(=O)NCCN(C)CCO ZINC000888405285 688605624 /nfs/dbraw/zinc/60/56/24/688605624.db2.gz NISJECBJPZKHBW-UHFFFAOYSA-N 0 3 372.263 2.060 20 30 FEEDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1F ZINC000891456252 689064035 /nfs/dbraw/zinc/06/40/35/689064035.db2.gz MFKABCGKAPWSHM-AWEZNQCLSA-N 0 3 350.394 2.091 20 30 FEEDHN C=C(C)C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(=O)OCC ZINC000893547666 689365134 /nfs/dbraw/zinc/36/51/34/689365134.db2.gz KONRONCWJYLOLW-MRXNPFEDSA-N 0 3 352.475 2.036 20 30 FEEDHN COC(=O)[C@@H]1[C@H](CNC2(c3ccc(C#N)cc3)CCOCC2)C1(F)F ZINC000895405575 689710477 /nfs/dbraw/zinc/71/04/77/689710477.db2.gz LKGAKIMQTGFGPP-GJZGRUSLSA-N 0 3 350.365 2.208 20 30 FEEDHN C#CCN(C(=O)CN(C)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899270384 690328414 /nfs/dbraw/zinc/32/84/14/690328414.db2.gz BWONYWSNIPMWRZ-UHFFFAOYSA-N 0 3 351.491 2.188 20 30 FEEDHN CC[C@@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(C#N)c1 ZINC000902863397 690814719 /nfs/dbraw/zinc/81/47/19/690814719.db2.gz YPTNVFCFGXETTF-QZTJIDSGSA-N 0 3 365.499 2.087 20 30 FEEDHN N#Cc1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867945 721039646 /nfs/dbraw/zinc/03/96/46/721039646.db2.gz LDJSIMYTKWMVNQ-SJORKVTESA-N 0 3 369.856 2.481 20 30 FEEDHN Cc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164980690 722103612 /nfs/dbraw/zinc/10/36/12/722103612.db2.gz JYCGMPJYFUEBHE-UYAOXDASSA-N 0 3 363.465 2.384 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000041896866 540039026 /nfs/dbraw/zinc/03/90/26/540039026.db2.gz UWVJKTJIGRDOJD-UHFFFAOYSA-N 0 3 354.454 2.221 20 30 FEEDHN CN(C)Cc1cccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000044277198 540121973 /nfs/dbraw/zinc/12/19/73/540121973.db2.gz PKRWRDOSZFGSLN-UHFFFAOYSA-N 0 3 364.453 2.369 20 30 FEEDHN COc1cc(/C=C/C(=O)NCCN2CCC[C@H](C)C2)ccc1OCC#N ZINC000046861995 540274286 /nfs/dbraw/zinc/27/42/86/540274286.db2.gz QONRVEWDVYGFKB-BVBGJJFLSA-N 0 3 357.454 2.459 20 30 FEEDHN C=CCNC(=O)NC(=O)CNC(C)(C)c1ccc(Br)cc1 ZINC000047258101 540298943 /nfs/dbraw/zinc/29/89/43/540298943.db2.gz VQPLKWAOGCTOOR-UHFFFAOYSA-N 0 3 354.248 2.286 20 30 FEEDHN CCCCNC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000051581394 540438590 /nfs/dbraw/zinc/43/85/90/540438590.db2.gz PPCSUGZUBPJMGB-MOPGFXCFSA-N 0 3 373.497 2.121 20 30 FEEDHN CC(=O)NCC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000052848999 540493189 /nfs/dbraw/zinc/49/31/89/540493189.db2.gz GVKUIPBTOCVVMZ-UHFFFAOYSA-N 0 3 374.510 2.285 20 30 FEEDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCOc1cccc(C#N)c1 ZINC000057843610 540818985 /nfs/dbraw/zinc/81/89/85/540818985.db2.gz FRWIBJTUJLVELN-CQSZACIVSA-N 0 3 359.451 2.277 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000059890725 540866392 /nfs/dbraw/zinc/86/63/92/540866392.db2.gz HHLLHRGBOAPSHP-SZNDQCEHSA-N 0 3 372.513 2.423 20 30 FEEDHN C=CCc1ccc(OCC(=O)Nc2cnn(CCN(C)C)c2)c(OC)c1 ZINC000061635933 541135740 /nfs/dbraw/zinc/13/57/40/541135740.db2.gz QPJVGZMICHKZJQ-UHFFFAOYSA-N 0 3 358.442 2.199 20 30 FEEDHN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930348 541272520 /nfs/dbraw/zinc/27/25/20/541272520.db2.gz GPSHQVWGXFFPDV-OAHLLOKOSA-N 0 3 374.485 2.362 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000066241216 541294190 /nfs/dbraw/zinc/29/41/90/541294190.db2.gz MIAYRMYCROONKW-LSDHHAIUSA-N 0 3 366.469 2.176 20 30 FEEDHN C#CCOc1ccccc1CNCc1cccc(C(=O)NCCN(C)C)c1 ZINC000066994816 541404514 /nfs/dbraw/zinc/40/45/14/541404514.db2.gz BQZOFZXGZZUUGH-UHFFFAOYSA-N 0 3 365.477 2.280 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000067568002 541482077 /nfs/dbraw/zinc/48/20/77/541482077.db2.gz XIOBLOATZGIGJR-KRWDZBQOSA-N 0 3 357.454 2.277 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000069111949 541658529 /nfs/dbraw/zinc/65/85/29/541658529.db2.gz SFUCMXYWVFDETC-GOSISDBHSA-N 0 3 356.470 2.132 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000069339049 541679074 /nfs/dbraw/zinc/67/90/74/541679074.db2.gz FHVIHHCURKLBLC-UHFFFAOYSA-N 0 3 362.499 2.426 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCN3CCCCC3)C2)c(F)c1 ZINC000069377805 541681733 /nfs/dbraw/zinc/68/17/33/541681733.db2.gz KSNIVRPZAQNLCU-QGZVFWFLSA-N 0 3 373.476 2.451 20 30 FEEDHN N#CCCN(Cc1cccnc1)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000074249002 542058593 /nfs/dbraw/zinc/05/85/93/542058593.db2.gz JQCYLKGWCDKLGX-UHFFFAOYSA-N 0 3 366.469 2.320 20 30 FEEDHN CCCN1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000074289813 542065021 /nfs/dbraw/zinc/06/50/21/542065021.db2.gz QKRYYTBZUUTYBU-UHFFFAOYSA-N 0 3 366.469 2.100 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(-c3cnco3)c2)CC1 ZINC000076512745 542287658 /nfs/dbraw/zinc/28/76/58/542287658.db2.gz RHAPHVMYGHVLQV-UHFFFAOYSA-N 0 3 354.410 2.047 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCn2c(C)nnc21)C(C)C ZINC000080077624 542563163 /nfs/dbraw/zinc/56/31/63/542563163.db2.gz FEZKQODXFWXXKO-IAGOWNOFSA-N 0 3 360.506 2.419 20 30 FEEDHN CCO[C@H](C)c1noc(CN2CCCN(CCCSCC#N)CC2)n1 ZINC000080629396 542598270 /nfs/dbraw/zinc/59/82/70/542598270.db2.gz KQKZDHRHHLKVNV-OAHLLOKOSA-N 0 3 367.519 2.322 20 30 FEEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000090171889 542783951 /nfs/dbraw/zinc/78/39/51/542783951.db2.gz JWPAVFHRJPZSAF-YJBOKZPZSA-N 0 3 352.438 2.197 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092284411 542853785 /nfs/dbraw/zinc/85/37/85/542853785.db2.gz LEEYDEZJXMBHJY-ADKAHSJRSA-N 0 3 371.485 2.427 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092217299 542849125 /nfs/dbraw/zinc/84/91/25/542849125.db2.gz NOBXMGIEENOMRX-AQFXKWCLSA-N 0 3 357.458 2.037 20 30 FEEDHN C#CCOc1ccccc1CN1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000092759584 542885306 /nfs/dbraw/zinc/88/53/06/542885306.db2.gz UEUJEZHQUXSQON-UHFFFAOYSA-N 0 3 366.465 2.074 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCCN(CC)CC2)cc1 ZINC000104952108 543152215 /nfs/dbraw/zinc/15/22/15/543152215.db2.gz IQZPSDUUUDOXBE-UHFFFAOYSA-N 0 3 358.486 2.360 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CC(=O)OCC)CC2)CC1 ZINC000106341109 543224727 /nfs/dbraw/zinc/22/47/27/543224727.db2.gz WZJACWWOMXRJNQ-UHFFFAOYSA-N 0 3 351.491 2.402 20 30 FEEDHN N#CC1(C(=O)NCC2CCN(Cc3ccccc3F)CC2)CCOCC1 ZINC000109143449 543315660 /nfs/dbraw/zinc/31/56/60/543315660.db2.gz VDXJHLSTJOMBKK-UHFFFAOYSA-N 0 3 359.445 2.474 20 30 FEEDHN C[C@](C#N)(NC(=O)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C1CC1 ZINC000125651701 543893867 /nfs/dbraw/zinc/89/38/67/543893867.db2.gz ZTKSVNWKJCHCCK-MRXNPFEDSA-N 0 3 369.391 2.416 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)CN1C1CC1 ZINC000127901522 544020617 /nfs/dbraw/zinc/02/06/17/544020617.db2.gz GWWNTMNYZDFVOG-WMZOPIPTSA-N 0 3 367.497 2.405 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127459905 543994932 /nfs/dbraw/zinc/99/49/32/543994932.db2.gz CDJFCFWXWHRQKG-OAHLLOKOSA-N 0 3 366.387 2.320 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)c1C#N ZINC000128526991 544057484 /nfs/dbraw/zinc/05/74/84/544057484.db2.gz OKOSDTIZNOGVTL-MRXNPFEDSA-N 0 3 356.470 2.432 20 30 FEEDHN CC[C@H]1CCCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000150737448 544465628 /nfs/dbraw/zinc/46/56/28/544465628.db2.gz ZRJLXLUYFSELRT-INIZCTEOSA-N 0 3 359.474 2.158 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)CC(C)C)nc1C ZINC000150896818 544483747 /nfs/dbraw/zinc/48/37/47/544483747.db2.gz GFEXBBPVYAWSHB-JTQLQIEISA-N 0 3 366.516 2.497 20 30 FEEDHN CC1CC[NH+](CCCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000151071680 544502482 /nfs/dbraw/zinc/50/24/82/544502482.db2.gz UZHBYKAGRDTZCC-UHFFFAOYSA-N 0 3 353.463 2.488 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc([O-])c(Br)c1 ZINC000153462430 544779118 /nfs/dbraw/zinc/77/91/18/544779118.db2.gz JNKFYSKLZVKCFW-GFCCVEGCSA-N 0 3 355.280 2.043 20 30 FEEDHN Cn1cc(CN2CCC(c3nncn3C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179940295 327665482 /nfs/dbraw/zinc/66/54/82/327665482.db2.gz GSIAZBZVTZPMDZ-UHFFFAOYSA-N 0 3 361.453 2.467 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000186654858 327973587 /nfs/dbraw/zinc/97/35/87/327973587.db2.gz YXROBFCTHLBYOP-HNNXBMFYSA-N 0 3 372.469 2.276 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000192505112 328322708 /nfs/dbraw/zinc/32/27/08/328322708.db2.gz RAWDAGPFCMSUKK-UHFFFAOYSA-N 0 3 373.501 2.434 20 30 FEEDHN CC(C)N1CCN(CCCN2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000192729680 328335632 /nfs/dbraw/zinc/33/56/32/328335632.db2.gz PXFQQXCCSVCLGM-UHFFFAOYSA-N 0 3 373.520 2.235 20 30 FEEDHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000080272504 325126399 /nfs/dbraw/zinc/12/63/99/325126399.db2.gz RTOYDBDMOKZZIR-UHFFFAOYSA-N 0 3 350.422 2.087 20 30 FEEDHN CCCN(CC)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000119058857 326122687 /nfs/dbraw/zinc/12/26/87/326122687.db2.gz QGVSKKHDXGRBBM-UHFFFAOYSA-N 0 3 360.458 2.132 20 30 FEEDHN Cc1c(CCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1C ZINC000119851370 326205472 /nfs/dbraw/zinc/20/54/72/326205472.db2.gz VZMZCBGETYMJTL-UHFFFAOYSA-N 0 3 353.470 2.123 20 30 FEEDHN COCCCOC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000122442854 326396930 /nfs/dbraw/zinc/39/69/30/326396930.db2.gz RGZFGFOIDUFDTI-UHFFFAOYSA-N 0 3 351.472 2.466 20 30 FEEDHN N#Cc1ccc2ncc(CNCc3ccc(CN4CCOCC4)cc3)n2c1 ZINC000123185720 326422819 /nfs/dbraw/zinc/42/28/19/326422819.db2.gz GAVNMDXEXHWXJI-UHFFFAOYSA-N 0 3 361.449 2.328 20 30 FEEDHN CC(C)[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCCCC1 ZINC000171458782 327140784 /nfs/dbraw/zinc/14/07/84/327140784.db2.gz XIAMOWCMPVLVEH-IBGZPJMESA-N 0 3 355.486 2.112 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000177534259 327529092 /nfs/dbraw/zinc/52/90/92/327529092.db2.gz HKCSXQAFPALCGP-CYBMUJFWSA-N 0 3 368.359 2.068 20 30 FEEDHN COCCN1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000266425218 329221576 /nfs/dbraw/zinc/22/15/76/329221576.db2.gz VZOCUERGTODKBL-ZDUSSCGKSA-N 0 3 356.348 2.419 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000268171937 329393331 /nfs/dbraw/zinc/39/33/31/329393331.db2.gz QVHVISKJYGQHCX-DNVCBOLYSA-N 0 3 356.470 2.199 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000276014197 330111481 /nfs/dbraw/zinc/11/14/81/330111481.db2.gz HHWLIZQYSZBPKH-AWEZNQCLSA-N 0 3 370.453 2.051 20 30 FEEDHN COc1cc(CNCC[C@](O)(c2nccn2C)C(F)(F)F)ccc1C#N ZINC000281828555 330177855 /nfs/dbraw/zinc/17/78/55/330177855.db2.gz XPAIMSJRQHPIFB-INIZCTEOSA-N 0 3 368.359 2.230 20 30 FEEDHN CC[C@@](C)(NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(N)=O ZINC000411382652 330256502 /nfs/dbraw/zinc/25/65/02/330256502.db2.gz CSDMJBNVYLOCMO-BBATYDOGSA-N 0 3 362.499 2.317 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C1 ZINC000477483819 561146014 /nfs/dbraw/zinc/14/60/14/561146014.db2.gz XFJNBCBVSFAEPV-YWZLYKJASA-N 0 3 372.428 2.288 20 30 FEEDHN CN(C)[C@H](CNC(=O)CN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000157496700 545748756 /nfs/dbraw/zinc/74/87/56/545748756.db2.gz XYNYJIFEVFLRCU-HXUWFJFHSA-N 0 3 350.466 2.409 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000478465994 561167701 /nfs/dbraw/zinc/16/77/01/561167701.db2.gz DHFKCNIUZHBVPK-HNNXBMFYSA-N 0 3 366.421 2.078 20 30 FEEDHN C=CCN(CCOC)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000478787094 561174738 /nfs/dbraw/zinc/17/47/38/561174738.db2.gz FRMBSZNFDUHCCW-UHFFFAOYSA-N 0 3 374.529 2.168 20 30 FEEDHN C=CCSCCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171258353 546200335 /nfs/dbraw/zinc/20/03/35/546200335.db2.gz NJSPFJGXCYOXKS-HOTGVXAUSA-N 0 3 355.548 2.436 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171305606 546203131 /nfs/dbraw/zinc/20/31/31/546203131.db2.gz IKWAVUVSUXXHMP-QRVBRYPASA-N 0 3 363.546 2.397 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000171719808 546220311 /nfs/dbraw/zinc/22/03/11/546220311.db2.gz XERMODKJSROFJY-LJQANCHMSA-N 0 3 357.479 2.382 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 ZINC000171720848 546221572 /nfs/dbraw/zinc/22/15/72/546221572.db2.gz MSUASZKFRORDET-KRWDZBQOSA-N 0 3 355.482 2.423 20 30 FEEDHN CN(C)CCOc1ccc(NC(=O)C(=O)NCCCCC#N)cc1Cl ZINC000172144465 546238238 /nfs/dbraw/zinc/23/82/38/546238238.db2.gz IQTGQQYFNQEWAY-UHFFFAOYSA-N 0 3 366.849 2.029 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(CCC#N)n1 ZINC000173333776 546278197 /nfs/dbraw/zinc/27/81/97/546278197.db2.gz QIVKOUQVTROSIG-UHFFFAOYSA-N 0 3 365.441 2.264 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccc(-c3nnnn3CC)c2)CC1 ZINC000173446757 546281056 /nfs/dbraw/zinc/28/10/56/546281056.db2.gz WSRFLOXIOFTPBR-UHFFFAOYSA-N 0 3 355.446 2.132 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)CC1 ZINC000173579531 546283418 /nfs/dbraw/zinc/28/34/18/546283418.db2.gz ZBKIORYUVANFBS-LJQANCHMSA-N 0 3 370.497 2.233 20 30 FEEDHN Cc1cc(CNCCNC(=O)C2N=CC=CC2=O)ccc1Br ZINC000173569567 546283625 /nfs/dbraw/zinc/28/36/25/546283625.db2.gz KBGXUBQJVHQHJB-NXVVXOECSA-N 0 3 364.243 2.374 20 30 FEEDHN C=CCOc1ccc(CNC[C@](C)(O)CN2CCOCC2)cc1Cl ZINC000174489524 546297828 /nfs/dbraw/zinc/29/78/28/546297828.db2.gz XUZYEUQUIANBOL-SFHVURJKSA-N 0 3 354.878 2.078 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176245781 546423957 /nfs/dbraw/zinc/42/39/57/546423957.db2.gz LDKBYZYSICDQOR-UHFFFAOYSA-N 0 3 367.409 2.253 20 30 FEEDHN COc1cc(/C=C/C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1OCC#N ZINC000177056166 546533059 /nfs/dbraw/zinc/53/30/59/546533059.db2.gz PBCHDOUFBMYINL-SLMWNZGVSA-N 0 3 355.438 2.352 20 30 FEEDHN CN1CCC2(CCCN2S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000480687103 561214360 /nfs/dbraw/zinc/21/43/60/561214360.db2.gz DNGRAXVBHBBAKF-UHFFFAOYSA-N 0 3 351.447 2.087 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCOC(F)F)cc1 ZINC000481031717 561223456 /nfs/dbraw/zinc/22/34/56/561223456.db2.gz HLURGTKNEYGEGT-JTQLQIEISA-N 0 3 361.370 2.123 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 ZINC000178537786 546809461 /nfs/dbraw/zinc/80/94/61/546809461.db2.gz YTLILGJXKNMKHX-QGZVFWFLSA-N 0 3 360.479 2.474 20 30 FEEDHN Cn1cc(CN2CCC[C@H](Cn3ccnn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180285703 547078874 /nfs/dbraw/zinc/07/88/74/547078874.db2.gz WIYRCFBNSJKKBU-KRWDZBQOSA-N 0 3 361.453 2.462 20 30 FEEDHN N#Cc1cccc(NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000180723788 547167180 /nfs/dbraw/zinc/16/71/80/547167180.db2.gz NLPDTIUVVRVCSU-LJQANCHMSA-N 0 3 350.422 2.447 20 30 FEEDHN Cc1nccn1-c1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180872802 547199067 /nfs/dbraw/zinc/19/90/67/547199067.db2.gz BAZMQDVFBLOPPZ-SXZOAGKDSA-N 0 3 365.437 2.358 20 30 FEEDHN COc1cnccc1N1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000483210525 561270518 /nfs/dbraw/zinc/27/05/18/561270518.db2.gz MLRAKXJRIFFFEJ-OAHLLOKOSA-N 0 3 365.437 2.111 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCO2)C(C)C ZINC000483569131 561279867 /nfs/dbraw/zinc/27/98/67/561279867.db2.gz OYVBUZKMBZOBFR-SFHVURJKSA-N 0 3 371.481 2.375 20 30 FEEDHN C[C@@H](NCCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(C#N)c1 ZINC000181982353 547417166 /nfs/dbraw/zinc/41/71/66/547417166.db2.gz LRDOUNAWISOCAM-QGZVFWFLSA-N 0 3 363.465 2.343 20 30 FEEDHN N#Cc1ccccc1/C=C/C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183435417 547659077 /nfs/dbraw/zinc/65/90/77/547659077.db2.gz VETYOSKRKYMBPR-LCCNJJIFSA-N 0 3 361.445 2.454 20 30 FEEDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484650566 561302339 /nfs/dbraw/zinc/30/23/39/561302339.db2.gz MSIZHZYWDLQJOA-JCGIZDLHSA-N 0 3 363.433 2.244 20 30 FEEDHN C=CCN(CCOC)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000484553663 561299948 /nfs/dbraw/zinc/29/99/48/561299948.db2.gz FAQOREYDHHBENS-CQSZACIVSA-N 0 3 362.239 2.462 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183684809 547701328 /nfs/dbraw/zinc/70/13/28/547701328.db2.gz MRBHKTNZVWZWDS-KGLIPLIRSA-N 0 3 355.442 2.232 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000185494091 547991832 /nfs/dbraw/zinc/99/18/32/547991832.db2.gz TWCCUFHTLAGEBE-AWEZNQCLSA-N 0 3 365.499 2.356 20 30 FEEDHN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1COc2ccccc21 ZINC000185592136 548006106 /nfs/dbraw/zinc/00/61/06/548006106.db2.gz RDODVBHWPNFSCT-KDOFPFPSSA-N 0 3 356.447 2.486 20 30 FEEDHN C[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000485699977 561326170 /nfs/dbraw/zinc/32/61/70/561326170.db2.gz XYQZTDLKYKOHQU-XLIONFOSSA-N 0 3 366.509 2.074 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)CC1 ZINC000186369575 548126040 /nfs/dbraw/zinc/12/60/40/548126040.db2.gz BOQAZFAQSKFDCC-ZCNNSNEGSA-N 0 3 356.466 2.073 20 30 FEEDHN CCC1(CC)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000186563005 548152500 /nfs/dbraw/zinc/15/25/00/548152500.db2.gz OGQACJTXTMJOHT-UHFFFAOYSA-N 0 3 373.501 2.406 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000187711419 548261587 /nfs/dbraw/zinc/26/15/87/548261587.db2.gz RDYUVKUZIBXKRZ-CQSZACIVSA-N 0 3 374.510 2.429 20 30 FEEDHN C=C(C)[C@H](NCCc1cn(CC(=O)OC)nn1)c1ccc(F)c(F)c1 ZINC000187773600 548264236 /nfs/dbraw/zinc/26/42/36/548264236.db2.gz NUSVMHZVKSJKCY-KRWDZBQOSA-N 0 3 350.369 2.179 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188280239 548276580 /nfs/dbraw/zinc/27/65/80/548276580.db2.gz IPHANNYXEZEVEJ-DENIHFKCSA-N 0 3 373.541 2.368 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188569515 548282774 /nfs/dbraw/zinc/28/27/74/548282774.db2.gz SCZSEMGMZYCPDL-BBRMVZONSA-N 0 3 363.424 2.420 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000188761340 548287134 /nfs/dbraw/zinc/28/71/34/548287134.db2.gz VLLCJDHLBZZNDL-TZIWHRDSSA-N 0 3 360.498 2.488 20 30 FEEDHN COC(=O)[C@](C)(CN[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000189947206 548313737 /nfs/dbraw/zinc/31/37/37/548313737.db2.gz COGQYQFNTKGHDX-OXJNMPFZSA-N 0 3 371.481 2.438 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000190026832 548316198 /nfs/dbraw/zinc/31/61/98/548316198.db2.gz DDHYHZDEEXVBPR-CVEARBPZSA-N 0 3 370.453 2.003 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2nc(CCC)cs2)CC1 ZINC000192893875 548375041 /nfs/dbraw/zinc/37/50/41/548375041.db2.gz GMZCKGSFEHASLX-UHFFFAOYSA-N 0 3 350.488 2.191 20 30 FEEDHN N#C[C@H](c1ccccc1)N1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000193935429 548408344 /nfs/dbraw/zinc/40/83/44/548408344.db2.gz ZCHIRGRCQAZVAU-HXUWFJFHSA-N 0 3 352.482 2.270 20 30 FEEDHN CC[C@H]1CN(CCNCc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000487172122 561365339 /nfs/dbraw/zinc/36/53/39/561365339.db2.gz RSESFVFNACQNMO-IBGZPJMESA-N 0 3 353.470 2.159 20 30 FEEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000245408748 548910603 /nfs/dbraw/zinc/91/06/03/548910603.db2.gz ISRPDHJCCUYNEM-FPOVZHCZSA-N 0 3 354.498 2.391 20 30 FEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000245674177 548971651 /nfs/dbraw/zinc/97/16/51/548971651.db2.gz FYABDARGMGFWDN-CRAIPNDOSA-N 0 3 356.470 2.466 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000246095254 549050946 /nfs/dbraw/zinc/05/09/46/549050946.db2.gz OGLUKDGCPLHBPS-SJLPKXTDSA-N 0 3 367.453 2.104 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000246248516 549089069 /nfs/dbraw/zinc/08/90/69/549089069.db2.gz KVNWMXPIMNEGKG-MJGOQNOKSA-N 0 3 356.470 2.159 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N(CCC#N)CCC(C)C)CC1=O ZINC000246450019 549135438 /nfs/dbraw/zinc/13/54/38/549135438.db2.gz OPBXGWWVUVEEHK-ROUUACIJSA-N 0 3 362.518 2.108 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000246459482 549138220 /nfs/dbraw/zinc/13/82/20/549138220.db2.gz FQVRITARQINFCX-ZHALLVOQSA-N 0 3 356.422 2.479 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)CC1 ZINC000251433500 549645225 /nfs/dbraw/zinc/64/52/25/549645225.db2.gz BOQAZFAQSKFDCC-HSALFYBXSA-N 0 3 356.466 2.073 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000490507143 561434211 /nfs/dbraw/zinc/43/42/11/561434211.db2.gz HGLCEGBWLUESLM-ZDUSSCGKSA-N 0 3 360.845 2.283 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000264323465 549994566 /nfs/dbraw/zinc/99/45/66/549994566.db2.gz BKUQTMIICLWCLZ-HOTGVXAUSA-N 0 3 373.501 2.467 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000266453392 550020665 /nfs/dbraw/zinc/02/06/65/550020665.db2.gz OKSWCXBGRWVMJO-NRFANRHFSA-N 0 3 371.525 2.434 20 30 FEEDHN CC(=O)c1ccc(NC(=O)CON=C(N)c2ccc(CN(C)C)cc2)cc1 ZINC000267001823 550026791 /nfs/dbraw/zinc/02/67/91/550026791.db2.gz HNVMBOYWRFZYHH-UHFFFAOYSA-N 0 3 368.437 2.226 20 30 FEEDHN Cc1cc(N(CCC#N)C(=O)CNC2(CO)CCOCC2)ccc1Cl ZINC000268287321 550045412 /nfs/dbraw/zinc/04/54/12/550045412.db2.gz COCOAGSGTDXSOK-UHFFFAOYSA-N 0 3 365.861 2.026 20 30 FEEDHN C[C@@H]1CN(CC2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000268517009 550080356 /nfs/dbraw/zinc/08/03/56/550080356.db2.gz UDOOQVZMRGXBCE-OKILXGFUSA-N 0 3 359.430 2.187 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)[C@H](O)c2c(F)cccc2F)CC1 ZINC000269606226 550210057 /nfs/dbraw/zinc/21/00/57/550210057.db2.gz VOUDWXWKLUZHMD-WMZOPIPTSA-N 0 3 350.409 2.238 20 30 FEEDHN C=C(C)[C@@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)OCC ZINC000270049557 550245523 /nfs/dbraw/zinc/24/55/23/550245523.db2.gz QWGZLRDGKFBCJP-HXUWFJFHSA-N 0 3 359.514 2.422 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000493836372 561458464 /nfs/dbraw/zinc/45/84/64/561458464.db2.gz POEDATSVLRZJLW-ZFWWWQNUSA-N 0 3 363.424 2.229 20 30 FEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1OC ZINC000270551706 550282987 /nfs/dbraw/zinc/28/29/87/550282987.db2.gz ZNNUYMAGEYOJFA-WMLDXEAASA-N 0 3 350.484 2.378 20 30 FEEDHN CS[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@@H]1N(C)C ZINC000271145753 550345088 /nfs/dbraw/zinc/34/50/88/550345088.db2.gz PQMBTIACEYHKKR-DLBZAZTESA-N 0 3 374.510 2.171 20 30 FEEDHN CC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(OC)c(OC)c1 ZINC000271479725 550378270 /nfs/dbraw/zinc/37/82/70/550378270.db2.gz NFMFDXBJHDNEER-ORIGZDJFSA-N 0 3 359.426 2.271 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000271847271 550405698 /nfs/dbraw/zinc/40/56/98/550405698.db2.gz GWMJXBHNGWFRNA-CQSZACIVSA-N 0 3 368.412 2.273 20 30 FEEDHN CCN1CCN([C@H](C)CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494328755 561467451 /nfs/dbraw/zinc/46/74/51/561467451.db2.gz VYFFDCVTNVXDTM-XLIONFOSSA-N 0 3 372.513 2.104 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(c3cc(C)[nH]n3)CC2)CC1 ZINC000275927069 550575147 /nfs/dbraw/zinc/57/51/47/550575147.db2.gz ZFUDEROUTHVOJR-UHFFFAOYSA-N 0 3 360.506 2.027 20 30 FEEDHN CC(C)(C)S(=O)(=O)N1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000276941156 550613480 /nfs/dbraw/zinc/61/34/80/550613480.db2.gz NPDPWGZWQSWIBR-UHFFFAOYSA-N 0 3 353.463 2.380 20 30 FEEDHN CN(C)CCn1ncc(C(=O)N2CCC(C#N)CC2)c1-c1ccccc1 ZINC000277645661 550696299 /nfs/dbraw/zinc/69/62/99/550696299.db2.gz KLELUEJWXNLRBW-UHFFFAOYSA-N 0 3 351.454 2.487 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC(=O)NC2CCCCC2)cc1 ZINC000279306061 550875664 /nfs/dbraw/zinc/87/56/64/550875664.db2.gz MPLXOFDGMHFOFB-QGZVFWFLSA-N 0 3 352.438 2.196 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H]1N(C)C ZINC000279408203 550886839 /nfs/dbraw/zinc/88/68/39/550886839.db2.gz IOTBLPNQVAJINA-DOTOQJQBSA-N 0 3 356.451 2.331 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000279889303 550940161 /nfs/dbraw/zinc/94/01/61/550940161.db2.gz DXEXRPRRNPFULB-HNNXBMFYSA-N 0 3 370.371 2.080 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C[C@@H]1N(C)C ZINC000495638761 561490085 /nfs/dbraw/zinc/49/00/85/561490085.db2.gz SSVJFMFXKZHMMV-CGTJXYLNSA-N 0 3 361.511 2.466 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@](C)(C(N)=O)C2)c1 ZINC000280714096 551024339 /nfs/dbraw/zinc/02/43/39/551024339.db2.gz JNDPKVJDJJWMTB-UZLBHIALSA-N 0 3 356.470 2.136 20 30 FEEDHN CC(C)N1C(=S)N=NC1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280877485 551041528 /nfs/dbraw/zinc/04/15/28/551041528.db2.gz LTEONOHIYXRGGD-OAHLLOKOSA-N 0 3 368.466 2.061 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCCCN3C3CC3)CC2)o1 ZINC000281531314 551109401 /nfs/dbraw/zinc/10/94/01/551109401.db2.gz HVYMGMFFJCFQEZ-KRWDZBQOSA-N 0 3 371.485 2.204 20 30 FEEDHN C=CCOc1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000497462086 561501385 /nfs/dbraw/zinc/50/13/85/561501385.db2.gz OOWYTDLCQRDDNZ-YLJYHZDGSA-N 0 3 357.498 2.349 20 30 FEEDHN COC(=O)[C@]1(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000282778357 551269249 /nfs/dbraw/zinc/26/92/49/551269249.db2.gz QCRTZZWGNBDTJC-FOIQADDNSA-N 0 3 367.453 2.490 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c(F)c1 ZINC000283086318 551309413 /nfs/dbraw/zinc/30/94/13/551309413.db2.gz YOSUACGRMOEXCJ-OLZOCXBDSA-N 0 3 363.408 2.121 20 30 FEEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000283705608 551412956 /nfs/dbraw/zinc/41/29/56/551412956.db2.gz VRDXPUJUSWKDKR-QGZVFWFLSA-N 0 3 368.485 2.075 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000284074703 551479346 /nfs/dbraw/zinc/47/93/46/551479346.db2.gz RONMEPRZHNRGFI-YJBOKZPZSA-N 0 3 356.470 2.116 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2c(C)cc(C)cc2C)CC1 ZINC000284138208 551490600 /nfs/dbraw/zinc/49/06/00/551490600.db2.gz WHKDQVKRVIXQDD-UHFFFAOYSA-N 0 3 357.498 2.385 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000284360563 551532512 /nfs/dbraw/zinc/53/25/12/551532512.db2.gz BHHVHWDOJBJWOT-MRXNPFEDSA-N 0 3 370.497 2.143 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000284412890 551543970 /nfs/dbraw/zinc/54/39/70/551543970.db2.gz XJUMOGKDKLYUJG-NEWSRXKRSA-N 0 3 364.440 2.354 20 30 FEEDHN COc1ccc([C@H](CN(C)C)NC(=O)COc2ccccc2C#N)cc1 ZINC000284461736 551553978 /nfs/dbraw/zinc/55/39/78/551553978.db2.gz TYMHSFLBUAEZHC-SFHVURJKSA-N 0 3 353.422 2.365 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000498489228 561525742 /nfs/dbraw/zinc/52/57/42/561525742.db2.gz WUQCJGAEZFPKGI-QXAKKESOSA-N 0 3 370.497 2.443 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@](C)(O)CSc2cccc(F)c2)CC1 ZINC000285419783 551753821 /nfs/dbraw/zinc/75/38/21/551753821.db2.gz QEPXYNNRENTYTL-GOSISDBHSA-N 0 3 352.475 2.435 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000499060961 561542285 /nfs/dbraw/zinc/54/22/85/561542285.db2.gz XDMDETHFHHTXMP-UHFFFAOYSA-N 0 3 355.398 2.009 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2sc(C)nc2C)CC1 ZINC000286338998 551876303 /nfs/dbraw/zinc/87/63/03/551876303.db2.gz AWQHSJVBLVGEOL-ZDUSSCGKSA-N 0 3 364.515 2.046 20 30 FEEDHN C[C@@H]1CCCCN1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286844512 551932754 /nfs/dbraw/zinc/93/27/54/551932754.db2.gz KPAJVGKCZPTHOM-CABCVRRESA-N 0 3 351.472 2.426 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000287343220 551991750 /nfs/dbraw/zinc/99/17/50/551991750.db2.gz PMKYOADXLMDGED-UHOFOFEASA-N 0 3 363.439 2.158 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287376973 551996386 /nfs/dbraw/zinc/99/63/86/551996386.db2.gz XNBZVXDVQXQTDJ-MAUKXSAKSA-N 0 3 356.470 2.294 20 30 FEEDHN CN(C)CCOc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000288329868 552134392 /nfs/dbraw/zinc/13/43/92/552134392.db2.gz LNIKGEVFMIMUJS-UHFFFAOYSA-N 0 3 373.478 2.118 20 30 FEEDHN C[C@H]1CCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000499915654 561561430 /nfs/dbraw/zinc/56/14/30/561561430.db2.gz PHOYLPPEKPUKTG-LPHOPBHVSA-N 0 3 370.497 2.001 20 30 FEEDHN COCCN(C)CC[C@H](NC(=O)Cc1noc(C)c1C#N)c1ccccc1 ZINC000499960971 561562975 /nfs/dbraw/zinc/56/29/75/561562975.db2.gz VPKSNEORFDAASF-SFHVURJKSA-N 0 3 370.453 2.223 20 30 FEEDHN N=C(NCc1cccc(C(=O)N2CCOCC2)c1)Nc1cc(F)ccc1F ZINC000288799993 552214844 /nfs/dbraw/zinc/21/48/44/552214844.db2.gz YWGVRZHSEQPPFQ-UHFFFAOYSA-N 0 3 374.391 2.364 20 30 FEEDHN C=CCOc1c(Br)cc(CN(C)CCC(N)=O)cc1OC ZINC000289786913 552378286 /nfs/dbraw/zinc/37/82/86/552378286.db2.gz RWYNRDRLQANWAH-UHFFFAOYSA-N 0 3 357.248 2.330 20 30 FEEDHN C=CCCCNC(=O)C(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000289813162 552382510 /nfs/dbraw/zinc/38/25/10/552382510.db2.gz RIKVKOWWGXSAPQ-LJQANCHMSA-N 0 3 357.498 2.439 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(C2CCOCC2)nn1)C(C)C ZINC000290218892 552444150 /nfs/dbraw/zinc/44/41/50/552444150.db2.gz WCYUKPKFUXZZBT-GOSISDBHSA-N 0 3 361.490 2.058 20 30 FEEDHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000290345390 552464273 /nfs/dbraw/zinc/46/42/73/552464273.db2.gz NJHRFVWXKFNRKA-OAHLLOKOSA-N 0 3 360.458 2.153 20 30 FEEDHN C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500928956 561585949 /nfs/dbraw/zinc/58/59/49/561585949.db2.gz HLRSHQIHQHVDPW-KBPBESRZSA-N 0 3 353.463 2.380 20 30 FEEDHN C#C[C@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)C(C)(C)C ZINC000290957610 552568580 /nfs/dbraw/zinc/56/85/80/552568580.db2.gz HJPFXLWMDPBNKY-IBGZPJMESA-N 0 3 357.498 2.490 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000291028039 552577793 /nfs/dbraw/zinc/57/77/93/552577793.db2.gz OKKVDFKJXTZFCW-TZIWHRDSSA-N 0 3 357.498 2.492 20 30 FEEDHN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC)CC1 ZINC000291172599 552595958 /nfs/dbraw/zinc/59/59/58/552595958.db2.gz ZGQZEZOVRRRVLY-UHFFFAOYSA-N 0 3 369.473 2.034 20 30 FEEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nnn1C(C)C ZINC000292130213 552696854 /nfs/dbraw/zinc/69/68/54/552696854.db2.gz BTDOFDROZXRZAK-UHFFFAOYSA-N 0 3 354.458 2.243 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000293223227 552800491 /nfs/dbraw/zinc/80/04/91/552800491.db2.gz BUWKVUZLQQWCHU-UHFFFAOYSA-N 0 3 360.216 2.142 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1OC1CCCC1 ZINC000293474122 552827490 /nfs/dbraw/zinc/82/74/90/552827490.db2.gz VDXHYIHOUHYPOL-UHFFFAOYSA-N 0 3 357.454 2.018 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC000293958938 552870932 /nfs/dbraw/zinc/87/09/32/552870932.db2.gz KWEIGGDBQNBZPK-UHFFFAOYSA-N 0 3 369.421 2.141 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000294050500 552878330 /nfs/dbraw/zinc/87/83/30/552878330.db2.gz UCJLRCFIILWXGE-NRFANRHFSA-N 0 3 355.482 2.000 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cscc1C#N ZINC000501816411 561606165 /nfs/dbraw/zinc/60/61/65/561606165.db2.gz IFEDBNREEDIJCA-IBGZPJMESA-N 0 3 355.463 2.329 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295871052 553070106 /nfs/dbraw/zinc/07/01/06/553070106.db2.gz FQJBJFBPHXIHPC-SUMWQHHRSA-N 0 3 351.447 2.086 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1 ZINC000296502575 553170764 /nfs/dbraw/zinc/17/07/64/553170764.db2.gz YSZQWIPSBKSMOR-INIZCTEOSA-N 0 3 358.486 2.426 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296561010 553179844 /nfs/dbraw/zinc/17/98/44/553179844.db2.gz NSYHRJVRMHHSFL-CYBMUJFWSA-N 0 3 362.499 2.456 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000297509506 553301980 /nfs/dbraw/zinc/30/19/80/553301980.db2.gz OYYMDWYJIDIQOA-PMACEKPBSA-N 0 3 365.481 2.366 20 30 FEEDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc(C)n1 ZINC000503184573 561635953 /nfs/dbraw/zinc/63/59/53/561635953.db2.gz XQZSKQMWTRRIDM-UHFFFAOYSA-N 0 3 352.438 2.474 20 30 FEEDHN C=CCc1cc(C(=O)NCCCN(C)CCOC)cc(OC)c1OC ZINC000298363670 553416910 /nfs/dbraw/zinc/41/69/10/553416910.db2.gz BNTAVQQSJDBXGB-UHFFFAOYSA-N 0 3 350.459 2.130 20 30 FEEDHN C[C@@H](c1ccccc1)[C@H](NCCC(=O)Nc1ccccc1C#N)C(N)=O ZINC000298404895 553421648 /nfs/dbraw/zinc/42/16/48/553421648.db2.gz OUYJVHBDVNLQIU-LIRRHRJNSA-N 0 3 350.422 2.134 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1 ZINC000298899541 553486851 /nfs/dbraw/zinc/48/68/51/553486851.db2.gz AWYOHGUDSZOXPG-UHFFFAOYSA-N 0 3 350.422 2.087 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](CCSC)NC(=O)CC)C(C)C ZINC000298923494 553490203 /nfs/dbraw/zinc/49/02/03/553490203.db2.gz BPXCNVANETUYBA-IRXDYDNUSA-N 0 3 369.575 2.449 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](CCSC)NC(=O)CC)C(C)C ZINC000298923497 553490308 /nfs/dbraw/zinc/49/03/08/553490308.db2.gz BPXCNVANETUYBA-SJORKVTESA-N 0 3 369.575 2.449 20 30 FEEDHN Cn1nnc2cc(CN[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc21 ZINC000503915698 561649858 /nfs/dbraw/zinc/64/98/58/561649858.db2.gz XOZQVYCWACQNRD-QGZVFWFLSA-N 0 3 360.421 2.125 20 30 FEEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000299345512 553550812 /nfs/dbraw/zinc/55/08/12/553550812.db2.gz FSUOLJMRKGDUAE-CQSZACIVSA-N 0 3 359.451 2.277 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)C(C)C ZINC000299664796 553599641 /nfs/dbraw/zinc/59/96/41/553599641.db2.gz WXIQUDOBOXHTQP-MRXNPFEDSA-N 0 3 363.462 2.305 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccn(CCN(C)C)n1 ZINC000303042239 553743429 /nfs/dbraw/zinc/74/34/29/553743429.db2.gz SNKZXYFXXYDEJN-UHFFFAOYSA-N 0 3 371.441 2.123 20 30 FEEDHN C[C@@H]1CCC[C@](CNCCS(=O)(=O)c2ccc(C#N)cc2)(N(C)C)C1 ZINC000327064709 553785834 /nfs/dbraw/zinc/78/58/34/553785834.db2.gz YJJBUILXCXHNFO-APWZRJJASA-N 0 3 363.527 2.432 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000327624616 553790126 /nfs/dbraw/zinc/79/01/26/553790126.db2.gz OCLYEGPCMKHZPN-ZBFHGGJFSA-N 0 3 358.360 2.077 20 30 FEEDHN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000328598009 553794590 /nfs/dbraw/zinc/79/45/90/553794590.db2.gz AUXORWWHXDLOOF-GOSISDBHSA-N 0 3 354.454 2.414 20 30 FEEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000328753766 553816929 /nfs/dbraw/zinc/81/69/29/553816929.db2.gz SHYBTKYQFISWCN-GJZGRUSLSA-N 0 3 351.491 2.233 20 30 FEEDHN C[C@H](C(=O)NCCc1cccs1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328846687 553831575 /nfs/dbraw/zinc/83/15/75/553831575.db2.gz VPCQYOYLVOHKIG-XBVQOTNRSA-N 0 3 352.500 2.497 20 30 FEEDHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000328938664 553849354 /nfs/dbraw/zinc/84/93/54/553849354.db2.gz DMLMJBNKJDSMDJ-ZWOKBUDYSA-N 0 3 368.437 2.360 20 30 FEEDHN CN1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000328996855 553861344 /nfs/dbraw/zinc/86/13/44/553861344.db2.gz FSLUBRLWDBTRML-ILXRZTDVSA-N 0 3 369.387 2.452 20 30 FEEDHN COc1ccc2c(c1)OC[C@H](NC(=O)N1CC[C@@H](N3CCCCC3)C1)C2 ZINC000329007301 553863189 /nfs/dbraw/zinc/86/31/89/553863189.db2.gz NHMIEQWOLDMBFH-IAGOWNOFSA-N 0 3 359.470 2.473 20 30 FEEDHN CN1CCC2(CCCN2C(=O)NCC(=O)N2CCc3ccccc3C2)CC1 ZINC000329033201 553868330 /nfs/dbraw/zinc/86/83/30/553868330.db2.gz BNLLVOFBSAXURY-UHFFFAOYSA-N 0 3 370.497 2.046 20 30 FEEDHN CN(C)[C@]1(CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCSC1 ZINC000329038912 553869551 /nfs/dbraw/zinc/86/95/51/553869551.db2.gz SBZSFBJDLOFPTE-UNEWFSDZSA-N 0 3 352.504 2.282 20 30 FEEDHN CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC3(CCCCC3)O2)N(C)C1 ZINC000329190460 553898790 /nfs/dbraw/zinc/89/87/90/553898790.db2.gz QBQOWCFADNXLKQ-BBWFWOEESA-N 0 3 353.507 2.433 20 30 FEEDHN CCN1CCN([C@H](C)CNC(=O)[C@H]2CCCN2C(=O)C2CCCC2)CC1 ZINC000329208470 553902616 /nfs/dbraw/zinc/90/26/16/553902616.db2.gz BQVPXJRBGCQEBY-SJLPKXTDSA-N 0 3 364.534 2.150 20 30 FEEDHN CC(C)[C@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CCCCC1 ZINC000329284375 553917610 /nfs/dbraw/zinc/91/76/10/553917610.db2.gz OJXLKYZHKZTKSP-NVXWUHKLSA-N 0 3 371.547 2.410 20 30 FEEDHN Cc1cc(C)n(-c2ccc(CNC(=O)N[C@H]3CCN(C4CC4)C3)cn2)n1 ZINC000329284574 553917990 /nfs/dbraw/zinc/91/79/90/553917990.db2.gz GDARJCIPXFVRTQ-INIZCTEOSA-N 0 3 354.458 2.124 20 30 FEEDHN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000329295656 553919555 /nfs/dbraw/zinc/91/95/55/553919555.db2.gz OONJAIVPDXTCKZ-WMZOPIPTSA-N 0 3 356.470 2.266 20 30 FEEDHN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000329295654 553919561 /nfs/dbraw/zinc/91/95/61/553919561.db2.gz OONJAIVPDXTCKZ-FUHWJXTLSA-N 0 3 356.470 2.266 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCCc3cc(F)cc4c3OCOC4)[C@@H]2C1 ZINC000329299039 553920425 /nfs/dbraw/zinc/92/04/25/553920425.db2.gz UXHRJRHQAWNQGF-CXAGYDPISA-N 0 3 363.433 2.175 20 30 FEEDHN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000329309994 553922394 /nfs/dbraw/zinc/92/23/94/553922394.db2.gz ZHJQNDWBBFUVRK-RHSMWYFYSA-N 0 3 369.531 2.307 20 30 FEEDHN C[C@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=CCN(C)CC1 ZINC000329360031 553931309 /nfs/dbraw/zinc/93/13/09/553931309.db2.gz XTVFTGTXRRBNAX-BBBYJDLNSA-N 0 3 357.520 2.091 20 30 FEEDHN C[C@@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=CCN(C)CC1 ZINC000329360032 553932053 /nfs/dbraw/zinc/93/20/53/553932053.db2.gz XTVFTGTXRRBNAX-NPCAHTBFSA-N 0 3 357.520 2.091 20 30 FEEDHN CN1CCC[C@@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000329383205 553935525 /nfs/dbraw/zinc/93/55/25/553935525.db2.gz OUUWPIPEJGXXQZ-LAUBAEHRSA-N 0 3 370.472 2.468 20 30 FEEDHN CN1CCC[C@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000329383207 553935610 /nfs/dbraw/zinc/93/56/10/553935610.db2.gz OUUWPIPEJGXXQZ-UWJYYQICSA-N 0 3 370.472 2.468 20 30 FEEDHN Cn1ccnc1[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1F ZINC000329503050 553958795 /nfs/dbraw/zinc/95/87/95/553958795.db2.gz YYQCZJXCPLUQIJ-RHSMWYFYSA-N 0 3 357.433 2.343 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3CCCCC3)C2)[C@]12CCCO2 ZINC000329521283 553961618 /nfs/dbraw/zinc/96/16/18/553961618.db2.gz OUAGNULJMPKZEE-IMBTUZDBSA-N 0 3 351.491 2.187 20 30 FEEDHN C[C@@H]1CN(C(=O)NC2CCN(CC3CCCC3)CC2)C[C@H](C)S1(=O)=O ZINC000329536403 553963987 /nfs/dbraw/zinc/96/39/87/553963987.db2.gz BDHOKYITIMZARY-GASCZTMLSA-N 0 3 371.547 2.062 20 30 FEEDHN O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000329732244 553996580 /nfs/dbraw/zinc/99/65/80/553996580.db2.gz IRLKFDDCDQIQOD-CQSZACIVSA-N 0 3 362.437 2.425 20 30 FEEDHN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000329732244 553996581 /nfs/dbraw/zinc/99/65/81/553996581.db2.gz IRLKFDDCDQIQOD-CQSZACIVSA-N 0 3 362.437 2.425 20 30 FEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000329812229 554010142 /nfs/dbraw/zinc/01/01/42/554010142.db2.gz RXJVYGDOZCNNFH-MWDXBVQZSA-N 0 3 353.507 2.147 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)CCN1C ZINC000329918660 554031421 /nfs/dbraw/zinc/03/14/21/554031421.db2.gz ZWZZALJPDTYFCT-IEBYYPBYSA-N 0 3 366.483 2.395 20 30 FEEDHN C[C@H](CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)N1CCC(C)CC1 ZINC000329938724 554035388 /nfs/dbraw/zinc/03/53/88/554035388.db2.gz ANGGCNGEPFZBRY-APWZRJJASA-N 0 3 353.507 2.291 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000329959686 554039328 /nfs/dbraw/zinc/03/93/28/554039328.db2.gz NKFQIACYUROMEP-MSOLQXFVSA-N 0 3 366.550 2.398 20 30 FEEDHN CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000329962673 554039545 /nfs/dbraw/zinc/03/95/45/554039545.db2.gz SHAWNGRDUJBLGG-RDTXWAMCSA-N 0 3 351.491 2.233 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CCCC23CCN(C)CC3)C12CCOCC2 ZINC000329983463 554043921 /nfs/dbraw/zinc/04/39/21/554043921.db2.gz PPAZDWDBANGTND-DLBZAZTESA-N 0 3 365.518 2.435 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000329985922 554044514 /nfs/dbraw/zinc/04/45/14/554044514.db2.gz RKQYHBCCAHEMHL-LJQANCHMSA-N 0 3 372.513 2.466 20 30 FEEDHN O=C(Cn1cc(NC(=O)N2CCN3CCC[C@@H]3C2)cn1)NC1CCCC1 ZINC000330008454 554048491 /nfs/dbraw/zinc/04/84/91/554048491.db2.gz FLMPHEBFLYOXAF-MRXNPFEDSA-N 0 3 360.462 2.108 20 30 FEEDHN CC(C(=O)NCc1nc2ccccc2[nH]1)S(=O)(=O)C1CCOCC1 ZINC000330076002 554059971 /nfs/dbraw/zinc/05/99/71/554059971.db2.gz MDPNOIIRJUZQGX-LLVKDONJSA-N 0 3 351.428 2.002 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CN1C1CC1 ZINC000330181114 554079770 /nfs/dbraw/zinc/07/97/70/554079770.db2.gz GJTQSJMNNIZCOV-WOPDTQHZSA-N 0 3 362.396 2.366 20 30 FEEDHN C[C@@H]1C[C@@H](CCNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCO1 ZINC000330231920 554089946 /nfs/dbraw/zinc/08/99/46/554089946.db2.gz RGCNYJWKDIFREZ-BBWFWOEESA-N 0 3 353.507 2.291 20 30 FEEDHN CC[C@@]1(O)CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000330240137 554091348 /nfs/dbraw/zinc/09/13/48/554091348.db2.gz BKERFUJTVLHYCS-GOSISDBHSA-N 0 3 355.548 2.499 20 30 FEEDHN CC[C@]1(O)CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000330240140 554091666 /nfs/dbraw/zinc/09/16/66/554091666.db2.gz BKERFUJTVLHYCS-SFHVURJKSA-N 0 3 355.548 2.499 20 30 FEEDHN CC(C)(C)S(=O)(=O)N1CCC(NC(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000330248103 554093016 /nfs/dbraw/zinc/09/30/16/554093016.db2.gz ZDSILUUXBWNELT-INIZCTEOSA-N 0 3 371.547 2.410 20 30 FEEDHN CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000330541279 554135429 /nfs/dbraw/zinc/13/54/29/554135429.db2.gz ABDPVRUINZLSMX-CQSZACIVSA-N 0 3 353.488 2.020 20 30 FEEDHN Cc1cc(C(=O)NCC2=CCN(C)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000330682198 554157011 /nfs/dbraw/zinc/15/70/11/554157011.db2.gz HHKMNYWAATVRPH-UHFFFAOYSA-N 0 3 365.499 2.120 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@]2(C)CO)cc1 ZINC000330731634 554164338 /nfs/dbraw/zinc/16/43/38/554164338.db2.gz IYHDFMPDDRQMQN-VMGRFDJRSA-N 0 3 365.455 2.249 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2cccnc2OCC(F)F)C[C@H]1N(C)C ZINC000330813555 554174620 /nfs/dbraw/zinc/17/46/20/554174620.db2.gz LHEXTKRWMITAFI-VXGBXAGGSA-N 0 3 360.430 2.248 20 30 FEEDHN COCCN1CC[C@H](NC(=O)NCc2cc(Br)cs2)C1 ZINC000330838389 554177748 /nfs/dbraw/zinc/17/77/48/554177748.db2.gz MFKQJZGHXGXOGG-NSHDSACASA-N 0 3 362.293 2.235 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000508333678 561759192 /nfs/dbraw/zinc/75/91/92/561759192.db2.gz NSQMQTZVEAPXDG-UHFFFAOYSA-N 0 3 361.486 2.016 20 30 FEEDHN CC(C)NC(=O)NC1(C(=O)NCCN2CCC[C@@H](C)C2)CCCCC1 ZINC000330970423 554195691 /nfs/dbraw/zinc/19/56/91/554195691.db2.gz JJKKJBBUSUUSFI-MRXNPFEDSA-N 0 3 352.523 2.449 20 30 FEEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000330970051 554195809 /nfs/dbraw/zinc/19/58/09/554195809.db2.gz FGYXXDQHUCAVAY-DZGCQCFKSA-N 0 3 351.495 2.184 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@@H]3CN(C)C)C2)n1 ZINC000331606531 554293653 /nfs/dbraw/zinc/29/36/53/554293653.db2.gz OQTQTMJJMZSTFR-QZTJIDSGSA-N 0 3 355.486 2.031 20 30 FEEDHN Cc1onc(CC(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N ZINC000331643871 554300759 /nfs/dbraw/zinc/30/07/59/554300759.db2.gz PVEGAEDTNDCROD-HUUCEWRRSA-N 0 3 374.485 2.135 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331874946 554336145 /nfs/dbraw/zinc/33/61/45/554336145.db2.gz PCXHQDAYDWMORG-QZTJIDSGSA-N 0 3 355.486 2.079 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000332222225 554403844 /nfs/dbraw/zinc/40/38/44/554403844.db2.gz AULPOQYXRLCEMT-ZIAGYGMSSA-N 0 3 373.400 2.482 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)c1 ZINC000332226085 554405007 /nfs/dbraw/zinc/40/50/07/554405007.db2.gz XIIHQRYLGKBEFV-AWEZNQCLSA-N 0 3 360.845 2.237 20 30 FEEDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000509756034 561812906 /nfs/dbraw/zinc/81/29/06/561812906.db2.gz PROXLMPCWIPQAV-AWEZNQCLSA-N 0 3 366.421 2.355 20 30 FEEDHN C=C(CNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccccc1 ZINC000510016121 561821888 /nfs/dbraw/zinc/82/18/88/561821888.db2.gz DSWRAMFJLBDZRL-UHFFFAOYSA-N 0 3 367.449 2.395 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCN1C ZINC000332534704 554465857 /nfs/dbraw/zinc/46/58/57/554465857.db2.gz IKNPAJUTWNSUAC-CABCVRRESA-N 0 3 359.449 2.012 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCN1C ZINC000332534707 554466019 /nfs/dbraw/zinc/46/60/19/554466019.db2.gz IKNPAJUTWNSUAC-LSDHHAIUSA-N 0 3 359.449 2.012 20 30 FEEDHN CC(C#N)C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000510383557 561832924 /nfs/dbraw/zinc/83/29/24/561832924.db2.gz DSQJVQPJOUTICG-CQSZACIVSA-N 0 3 368.403 2.493 20 30 FEEDHN C[C@H]1CCN(C(=O)Nc2nn(C)cc2C#N)CCN1Cc1ccccc1 ZINC000610561656 554528677 /nfs/dbraw/zinc/52/86/77/554528677.db2.gz AQMUHURDVVHUBF-HNNXBMFYSA-N 0 3 352.442 2.420 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000332992865 554555123 /nfs/dbraw/zinc/55/51/23/554555123.db2.gz AELCYZMMDRILSH-QRVBRYPASA-N 0 3 364.449 2.148 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000360791316 554890206 /nfs/dbraw/zinc/89/02/06/554890206.db2.gz FKTDSINDJFOGRV-FQEVSTJZSA-N 0 3 361.461 2.469 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000361904449 554937554 /nfs/dbraw/zinc/93/75/54/554937554.db2.gz ACDFCIWXIAMFEG-IRXDYDNUSA-N 0 3 357.454 2.278 20 30 FEEDHN C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000362660267 554979242 /nfs/dbraw/zinc/97/92/42/554979242.db2.gz VSDSOFKIJSULDH-UZLBHIALSA-N 0 3 353.514 2.294 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000362688146 554980966 /nfs/dbraw/zinc/98/09/66/554980966.db2.gz SKARTFMBIZTTSA-HNAYVOBHSA-N 0 3 355.486 2.356 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000363388240 555092316 /nfs/dbraw/zinc/09/23/16/555092316.db2.gz RJOYAXSJHYAOHM-LJQANCHMSA-N 0 3 355.482 2.448 20 30 FEEDHN CN(C)CCN1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000363516656 555125311 /nfs/dbraw/zinc/12/53/11/555125311.db2.gz ADJKFBXYZVMFQV-UHFFFAOYSA-N 0 3 372.513 2.203 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000363709073 555168735 /nfs/dbraw/zinc/16/87/35/555168735.db2.gz LBLXYZHMPIKOBR-ICSRJNTNSA-N 0 3 371.481 2.331 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000364161499 555260614 /nfs/dbraw/zinc/26/06/14/555260614.db2.gz MNRPXKVSJFCGBR-IEBWSBKVSA-N 0 3 359.470 2.256 20 30 FEEDHN Cc1cccc(S(=O)(=O)N2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)c1C#N ZINC000364291717 555285695 /nfs/dbraw/zinc/28/56/95/555285695.db2.gz OXSTVYCIIXIDJL-SJORKVTESA-N 0 3 359.426 2.121 20 30 FEEDHN C=CCN(C(=O)N[C@@H](C)Cn1cncn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364294197 555286243 /nfs/dbraw/zinc/28/62/43/555286243.db2.gz TXTBQYWDCROSPY-HKUYNNGSSA-N 0 3 368.485 2.139 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2Cc2ccccc2)CC1 ZINC000512450303 561905356 /nfs/dbraw/zinc/90/53/56/561905356.db2.gz QRHVDDUEIOMCFL-LEWJYISDSA-N 0 3 368.525 2.386 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@@H]1c1cccs1 ZINC000512764181 561914707 /nfs/dbraw/zinc/91/47/07/561914707.db2.gz BVPDHRTXNSNIGB-DOTOQJQBSA-N 0 3 374.510 2.009 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000364913817 555435926 /nfs/dbraw/zinc/43/59/26/555435926.db2.gz MMPGKQBSFOTPRC-SJORKVTESA-N 0 3 359.426 2.121 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000366189233 555776075 /nfs/dbraw/zinc/77/60/75/555776075.db2.gz DNNHPDDCNXJAOI-LJQANCHMSA-N 0 3 371.481 2.477 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366448146 555847013 /nfs/dbraw/zinc/84/70/13/555847013.db2.gz MCANZSXMXFYEJL-QAPCUYQASA-N 0 3 356.470 2.199 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)[N-]CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000366666322 555903385 /nfs/dbraw/zinc/90/33/85/555903385.db2.gz PDGLKLMCOHHYNG-UHFFFAOYSA-N 0 3 362.480 2.210 20 30 FEEDHN C#CCCCNC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000367757922 556131620 /nfs/dbraw/zinc/13/16/20/556131620.db2.gz BSVRSZOREBCZSW-HXUWFJFHSA-N 0 3 354.498 2.002 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000367776702 556136441 /nfs/dbraw/zinc/13/64/41/556136441.db2.gz GDAKKBUEMVSQDH-HXUWFJFHSA-N 0 3 364.449 2.443 20 30 FEEDHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N1CCCC1 ZINC000514991895 561990455 /nfs/dbraw/zinc/99/04/55/561990455.db2.gz LWAVPXMLLLVTFW-ZFWWWQNUSA-N 0 3 374.872 2.165 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000369173058 556524934 /nfs/dbraw/zinc/52/49/34/556524934.db2.gz DQQFQNNOIRVPLH-SFHVURJKSA-N 0 3 365.481 2.302 20 30 FEEDHN Cn1cc([C@H](O)C[C@@H]2CCCN2CCC(=O)Nc2sccc2C#N)cn1 ZINC000369284441 556564545 /nfs/dbraw/zinc/56/45/45/556564545.db2.gz RDKDUYAZOHDDSV-JKSUJKDBSA-N 0 3 373.482 2.270 20 30 FEEDHN N#Cc1ccc(OCCNC(=O)c2cnn(CCN3CCCCC3)c2)cc1 ZINC000369672708 556664695 /nfs/dbraw/zinc/66/46/95/556664695.db2.gz RUJAOGUYAIXXDF-UHFFFAOYSA-N 0 3 367.453 2.049 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000369757316 556686484 /nfs/dbraw/zinc/68/64/84/556686484.db2.gz KXCSYUGCVGVPJS-GOSISDBHSA-N 0 3 373.884 2.297 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1 ZINC000369758000 556686632 /nfs/dbraw/zinc/68/66/32/556686632.db2.gz RPIHTGAFECFWSN-HXUWFJFHSA-N 0 3 367.493 2.260 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000370295249 556832530 /nfs/dbraw/zinc/83/25/30/556832530.db2.gz VMRQRHUPBDOLJG-FMKPAKJESA-N 0 3 370.544 2.057 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000517145915 562077544 /nfs/dbraw/zinc/07/75/44/562077544.db2.gz SPHPEJRDZCVDES-CZUORRHYSA-N 0 3 360.285 2.213 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cccc(NS(=O)(=O)CCC)c2)CC1 ZINC000517312443 562084868 /nfs/dbraw/zinc/08/48/68/562084868.db2.gz WWYRXKSUULSOJT-UHFFFAOYSA-N 0 3 365.499 2.219 20 30 FEEDHN COc1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1OCCCC#N ZINC000371325385 557146855 /nfs/dbraw/zinc/14/68/55/557146855.db2.gz DMDGGNMUBBRIEI-RBUKOAKNSA-N 0 3 373.497 2.409 20 30 FEEDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCCN(c2ccccc2C#N)C1 ZINC000371552893 557220097 /nfs/dbraw/zinc/22/00/97/557220097.db2.gz KBSYUBDUARDFIO-JENIJYKNSA-N 0 3 361.511 2.472 20 30 FEEDHN Cn1cc([C@@H]2C[C@@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)cn1 ZINC000517757845 562097304 /nfs/dbraw/zinc/09/73/04/562097304.db2.gz WDCOIWYCLBMKHT-WDSOQIARSA-N 0 3 363.421 2.011 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccc(OCC3CC3)nc2)cc1 ZINC000518169536 562105522 /nfs/dbraw/zinc/10/55/22/562105522.db2.gz XKQNUYOYGJYEFQ-GOSISDBHSA-N 0 3 353.422 2.272 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)CC1 ZINC000371937464 557333756 /nfs/dbraw/zinc/33/37/56/557333756.db2.gz LLUYELRHUQGFSM-ZIFCJYIRSA-N 0 3 351.491 2.053 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)C2)CC1 ZINC000371942729 557334812 /nfs/dbraw/zinc/33/48/12/557334812.db2.gz NCXCZAJWSWASPZ-LJQANCHMSA-N 0 3 355.486 2.385 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CNCc2c(C)nn(C)c2C)c(OC)c1 ZINC000519141346 562125684 /nfs/dbraw/zinc/12/56/84/562125684.db2.gz AOPSRLWBKSDFPO-KRWDZBQOSA-N 0 3 359.470 2.304 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000372462704 557477406 /nfs/dbraw/zinc/47/74/06/557477406.db2.gz IRSHHPHPDITEHY-FGZHOGPDSA-N 0 3 364.493 2.439 20 30 FEEDHN C=CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372600364 557517377 /nfs/dbraw/zinc/51/73/77/557517377.db2.gz MQOGXAXBIYRSQE-QGZVFWFLSA-N 0 3 369.425 2.080 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000372653761 557530293 /nfs/dbraw/zinc/53/02/93/557530293.db2.gz FTTFAKWSMRSVNF-ATZDWAIDSA-N 0 3 356.470 2.247 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000372753535 557554891 /nfs/dbraw/zinc/55/48/91/557554891.db2.gz UDRDLNNQCVLNCV-SJORKVTESA-N 0 3 371.485 2.156 20 30 FEEDHN N#CC(C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1nnc2n1CCCCC2 ZINC000519899492 562147487 /nfs/dbraw/zinc/14/74/87/562147487.db2.gz LVKBKFFAYZYPHN-CQSZACIVSA-N 0 3 366.425 2.059 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000520347103 562153983 /nfs/dbraw/zinc/15/39/83/562153983.db2.gz ZUHPDXXPJWSODV-CVSAEHQPSA-N 0 3 361.408 2.434 20 30 FEEDHN COCCN(CCN(C)C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520355444 562154090 /nfs/dbraw/zinc/15/40/90/562154090.db2.gz UCHJHWIXUYTCSN-UHFFFAOYSA-N 0 3 368.437 2.396 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)NC[C@@H]1CN(C2CC2)CCO1 ZINC000374222361 557845747 /nfs/dbraw/zinc/84/57/47/557845747.db2.gz KPFGSLRWCZHTMD-NVXWUHKLSA-N 0 3 363.527 2.104 20 30 FEEDHN N#CC1(c2ccccn2)CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000374490733 557890572 /nfs/dbraw/zinc/89/05/72/557890572.db2.gz BXTRPJXXZXMGQG-UHFFFAOYSA-N 0 3 353.470 2.275 20 30 FEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)cc1 ZINC000375517605 558042090 /nfs/dbraw/zinc/04/20/90/558042090.db2.gz XBALDVFOBPFFHF-JNAXZKDPSA-N 0 3 352.438 2.103 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CN1C1CC1 ZINC000376220072 558143463 /nfs/dbraw/zinc/14/34/63/558143463.db2.gz HTHWBDYVSYYHTN-BMFZPTHFSA-N 0 3 356.445 2.265 20 30 FEEDHN CN(CCNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1)C1CC1 ZINC000376637743 558201403 /nfs/dbraw/zinc/20/14/03/558201403.db2.gz CJJURNWMWAVGBT-UHFFFAOYSA-N 0 3 362.424 2.263 20 30 FEEDHN C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C1CCN(C)CC1 ZINC000376965746 558245502 /nfs/dbraw/zinc/24/55/02/558245502.db2.gz BHQKQBJOAVRPRB-KRWDZBQOSA-N 0 3 366.509 2.217 20 30 FEEDHN C=C(CNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000377006634 558250788 /nfs/dbraw/zinc/25/07/88/558250788.db2.gz SFGMHRLJPNTMJW-QUCCMNQESA-N 0 3 356.514 2.367 20 30 FEEDHN N#Cc1ccc(NCCCN2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000522133804 562192222 /nfs/dbraw/zinc/19/22/22/562192222.db2.gz QIKARYLSSYIVKW-UHFFFAOYSA-N 0 3 366.425 2.486 20 30 FEEDHN CN1CC[C@H](NC[C@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000377644519 558384984 /nfs/dbraw/zinc/38/49/84/558384984.db2.gz FNFCGUMNMPVGFD-JBACZVJFSA-N 0 3 369.440 2.472 20 30 FEEDHN Cc1cn2c(n1)CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822955 558426793 /nfs/dbraw/zinc/42/67/93/558426793.db2.gz DVPVNQKWFGEJEI-IRXDYDNUSA-N 0 3 351.454 2.431 20 30 FEEDHN Cc1cn2c(n1)CC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822954 558426868 /nfs/dbraw/zinc/42/68/68/558426868.db2.gz DVPVNQKWFGEJEI-IAGOWNOFSA-N 0 3 351.454 2.431 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@]2(COC)OCCc3ccccc32)CC1 ZINC000378079427 558476063 /nfs/dbraw/zinc/47/60/63/558476063.db2.gz ZPAZXNSINFSXJG-OAQYLSRUSA-N 0 3 373.497 2.051 20 30 FEEDHN CC(C#N)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000522984185 562207051 /nfs/dbraw/zinc/20/70/51/562207051.db2.gz ITPRHTHQROKAFG-GHMZBOCLSA-N 0 3 365.231 2.181 20 30 FEEDHN C#Cc1ccccc1CC(=O)N1CCC(CCN2CCN(C)CC2)CC1 ZINC000378127596 558487246 /nfs/dbraw/zinc/48/72/46/558487246.db2.gz GGTSMQVDELHKHC-UHFFFAOYSA-N 0 3 353.510 2.087 20 30 FEEDHN C[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CCN1C1CCN(C)CC1 ZINC000378371128 558541691 /nfs/dbraw/zinc/54/16/91/558541691.db2.gz PFWSCQRFRQUGOF-INIZCTEOSA-N 0 3 372.538 2.277 20 30 FEEDHN Cc1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1OCCN1CCCC1 ZINC000409715321 558716227 /nfs/dbraw/zinc/71/62/27/558716227.db2.gz GPXINVKBSBOVPK-OAHLLOKOSA-N 0 3 368.441 2.133 20 30 FEEDHN Cc1cc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)ccc1OCCN(C)C ZINC000411421160 558891956 /nfs/dbraw/zinc/89/19/56/558891956.db2.gz VOPPZDKXIFUHII-AWEZNQCLSA-N 0 3 372.469 2.025 20 30 FEEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCc4n[nH]nc4C3)sc2C1 ZINC000411621741 558930849 /nfs/dbraw/zinc/93/08/49/558930849.db2.gz RHRSUGZBGPKZPJ-LLVKDONJSA-N 0 3 370.482 2.250 20 30 FEEDHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000411690461 558944770 /nfs/dbraw/zinc/94/47/70/558944770.db2.gz FXNSRFPQFSCBGQ-UHFFFAOYSA-N 0 3 370.478 2.343 20 30 FEEDHN C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)NCCN1CCCCC1 ZINC000412319068 559027484 /nfs/dbraw/zinc/02/74/84/559027484.db2.gz HOOHCYBXGUEQMM-MRXNPFEDSA-N 0 3 370.497 2.208 20 30 FEEDHN CC#CCCCC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000412871639 559060625 /nfs/dbraw/zinc/06/06/25/559060625.db2.gz CAQJLTSJTFVATA-UHFFFAOYSA-N 0 3 355.482 2.194 20 30 FEEDHN N#Cc1cnc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)c(F)c1 ZINC000413286736 559095632 /nfs/dbraw/zinc/09/56/32/559095632.db2.gz ZQTFAZQMCUGMIA-IBGZPJMESA-N 0 3 365.456 2.489 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNc1nc(C)cc(C#N)n1 ZINC000413535982 559114873 /nfs/dbraw/zinc/11/48/73/559114873.db2.gz QNXZRKKSUGCSGN-IEBWSBKVSA-N 0 3 351.454 2.606 20 30 FEEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000414163474 559151247 /nfs/dbraw/zinc/15/12/47/559151247.db2.gz ITGMHODVKGJBNZ-HNNXBMFYSA-N 0 3 365.499 2.298 20 30 FEEDHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000415381287 559229315 /nfs/dbraw/zinc/22/93/15/559229315.db2.gz NIKVASZAQQVCNS-GOSISDBHSA-N 0 3 350.422 2.436 20 30 FEEDHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)Nc2sccc2C#N)cc1 ZINC000415384491 559229749 /nfs/dbraw/zinc/22/97/49/559229749.db2.gz UATMYKMSPYWUMC-OAHLLOKOSA-N 0 3 356.451 2.498 20 30 FEEDHN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](CN)C2CC2)cc1 ZINC000415457135 559239216 /nfs/dbraw/zinc/23/92/16/559239216.db2.gz SGXYTGJDYIUQRL-QGZVFWFLSA-N 0 3 364.405 2.143 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000415600715 559254233 /nfs/dbraw/zinc/25/42/33/559254233.db2.gz ZBGOCCLBVMPJGP-UHFFFAOYSA-N 0 3 367.453 2.041 20 30 FEEDHN CN(C)[C@H](CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000416140249 559293954 /nfs/dbraw/zinc/29/39/54/559293954.db2.gz SJQQMCNMUUMSOJ-LJQANCHMSA-N 0 3 363.465 2.295 20 30 FEEDHN C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)CN1CCN(C)CC1 ZINC000416688323 559329792 /nfs/dbraw/zinc/32/97/92/559329792.db2.gz PABOJIAUIACLEO-UZLBHIALSA-N 0 3 369.513 2.118 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H](CO)C2)cc1 ZINC000417050348 559345815 /nfs/dbraw/zinc/34/58/15/559345815.db2.gz JWFGVYWOMHCDGR-VNHYZAJKSA-N 0 3 365.455 2.045 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)NC[C@@H](N)c3ccccc3)CC2)c(F)c1 ZINC000418456791 559402306 /nfs/dbraw/zinc/40/23/06/559402306.db2.gz UIEZQLFMJSRPLP-GOSISDBHSA-N 0 3 367.428 2.229 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(OC)cc1 ZINC000419153575 559430220 /nfs/dbraw/zinc/43/02/20/559430220.db2.gz OUQOJJVHAGFPQC-ZYSHUDEJSA-N 0 3 373.497 2.118 20 30 FEEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Br)[C@@H](C)CN1CCO ZINC000419346358 559438851 /nfs/dbraw/zinc/43/88/51/559438851.db2.gz VBPUCYGUXWZXPK-STQMWFEESA-N 0 3 352.276 2.208 20 30 FEEDHN N#CC1(CNC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)CCC1 ZINC000419482053 559444634 /nfs/dbraw/zinc/44/46/34/559444634.db2.gz SNEVIOMFQOIMIR-GOSISDBHSA-N 0 3 356.470 2.136 20 30 FEEDHN C=CCC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1ccccc1 ZINC000419663875 559452572 /nfs/dbraw/zinc/45/25/72/559452572.db2.gz KYNZKGHKCZQCDO-BHYGNILZSA-N 0 3 359.470 2.039 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419967742 559466773 /nfs/dbraw/zinc/46/67/73/559466773.db2.gz OPEOQKCYAWENNY-LJQANCHMSA-N 0 3 373.497 2.234 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419978969 559467504 /nfs/dbraw/zinc/46/75/04/559467504.db2.gz OTBINPUGRNQSQV-IBGZPJMESA-N 0 3 357.498 2.268 20 30 FEEDHN Cc1cccc(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)c1C#N ZINC000420469815 559489209 /nfs/dbraw/zinc/48/92/09/559489209.db2.gz KLAPNDGFMSSGTL-DLBZAZTESA-N 0 3 359.426 2.121 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H]1CCCN1C ZINC000420993749 559518256 /nfs/dbraw/zinc/51/82/56/559518256.db2.gz BAJGJCJKGLHVDT-SJORKVTESA-N 0 3 358.486 2.356 20 30 FEEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000421298116 559536916 /nfs/dbraw/zinc/53/69/16/559536916.db2.gz MLMQXJHNIBLMLG-CYBMUJFWSA-N 0 3 368.359 2.068 20 30 FEEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000421315064 559538752 /nfs/dbraw/zinc/53/87/52/559538752.db2.gz ZROPCGHUERBHFN-MRXNPFEDSA-N 0 3 372.469 2.227 20 30 FEEDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc(C#N)c(F)c1 ZINC000421341280 559539702 /nfs/dbraw/zinc/53/97/02/559539702.db2.gz LBYRPGKXNGLPNF-FQEVSTJZSA-N 0 3 368.456 2.076 20 30 FEEDHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCc2ccc(C#N)s2)CC1 ZINC000421347605 559539848 /nfs/dbraw/zinc/53/98/48/559539848.db2.gz CTJAMOUVRQLEHB-CYBMUJFWSA-N 0 3 363.483 2.290 20 30 FEEDHN C[C@@H](NC(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000422300520 559576776 /nfs/dbraw/zinc/57/67/76/559576776.db2.gz VHROHYPONQELIB-OAHLLOKOSA-N 0 3 358.486 2.288 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000422533227 559593315 /nfs/dbraw/zinc/59/33/15/559593315.db2.gz WSZFKVNGADLLQB-IBGZPJMESA-N 0 3 357.498 2.233 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000424100083 559654716 /nfs/dbraw/zinc/65/47/16/559654716.db2.gz HDIKLGQAADKADO-INIZCTEOSA-N 0 3 362.861 2.036 20 30 FEEDHN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](N)CCCC#N)c1C ZINC000424106886 559655096 /nfs/dbraw/zinc/65/50/96/559655096.db2.gz YEUMQIZTCLAGMQ-ZDUSSCGKSA-N 0 3 352.460 2.106 20 30 FEEDHN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424115753 559655292 /nfs/dbraw/zinc/65/52/92/559655292.db2.gz VTRSQCHFLYSNKH-OAHLLOKOSA-N 0 3 360.483 2.144 20 30 FEEDHN COc1cc(N[C@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)cc(OC)c1 ZINC000424165108 559656644 /nfs/dbraw/zinc/65/66/44/559656644.db2.gz DJQVGUYJOWANPO-KSSFIOAISA-N 0 3 360.458 2.128 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000424178874 559656839 /nfs/dbraw/zinc/65/68/39/559656839.db2.gz XPVPWTBAZISQRW-ZIAGYGMSSA-N 0 3 369.252 2.236 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000424181346 559656841 /nfs/dbraw/zinc/65/68/41/559656841.db2.gz CAASGDHHPSJSHH-RYUDHWBXSA-N 0 3 356.195 2.159 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424284681 559660678 /nfs/dbraw/zinc/66/06/78/559660678.db2.gz DOJIFOASKNUMBN-JKSUJKDBSA-N 0 3 371.510 2.063 20 30 FEEDHN C=CCC1(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)CCOCC1 ZINC000424713135 559674352 /nfs/dbraw/zinc/67/43/52/559674352.db2.gz BLUPFLBMTOJWOW-SFHVURJKSA-N 0 3 350.503 2.463 20 30 FEEDHN C=CCC1(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)CCOCC1 ZINC000424772524 559676226 /nfs/dbraw/zinc/67/62/26/559676226.db2.gz FATPXOMUFIFNNY-UHFFFAOYSA-N 0 3 363.546 2.235 20 30 FEEDHN COC(=O)c1cnc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000424975676 559681787 /nfs/dbraw/zinc/68/17/87/559681787.db2.gz IBNLITMMRBDZLL-BXUZGUMPSA-N 0 3 368.418 2.361 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](n3ccnn3)C2)c(OC)c1 ZINC000425497088 559705530 /nfs/dbraw/zinc/70/55/30/559705530.db2.gz BYFLOAASGLAQAZ-MSOLQXFVSA-N 0 3 372.469 2.092 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000425541325 559708764 /nfs/dbraw/zinc/70/87/64/559708764.db2.gz WPCFLWNXUCLTQZ-RHSMWYFYSA-N 0 3 363.417 2.208 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)nn1 ZINC000425785000 559719438 /nfs/dbraw/zinc/71/94/38/559719438.db2.gz KWGAXCNHAXATEN-QAPCUYQASA-N 0 3 356.474 2.263 20 30 FEEDHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@@H]2C1 ZINC000425817386 559721143 /nfs/dbraw/zinc/72/11/43/559721143.db2.gz HHRIWIWIKGUTOB-GOEBONIOSA-N 0 3 372.494 2.183 20 30 FEEDHN C=CCn1cc(CNC(=O)N(CCN(C)C)Cc2cccc(C)c2)nn1 ZINC000425868141 559723478 /nfs/dbraw/zinc/72/34/78/559723478.db2.gz DDVXIHFGYQOYQX-UHFFFAOYSA-N 0 3 356.474 2.046 20 30 FEEDHN C=CCn1cc(CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)nn1 ZINC000425875015 559723690 /nfs/dbraw/zinc/72/36/90/559723690.db2.gz LYJZACBZXGROEN-UHFFFAOYSA-N 0 3 368.485 2.270 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)C(C)C ZINC000426026668 559727946 /nfs/dbraw/zinc/72/79/46/559727946.db2.gz BPTQTLKFYURONX-RCCFBDPRSA-N 0 3 362.518 2.138 20 30 FEEDHN N#Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000426899251 559743943 /nfs/dbraw/zinc/74/39/43/559743943.db2.gz ZMJCLAXVHQWVPD-CQSZACIVSA-N 0 3 367.409 2.173 20 30 FEEDHN C[C@@H](c1ccccc1)[C@@H](NCCC(=O)Nc1sccc1C#N)C(N)=O ZINC000428856932 559785047 /nfs/dbraw/zinc/78/50/47/559785047.db2.gz PMFCVEKOWICIRL-BLLLJJGKSA-N 0 3 356.451 2.196 20 30 FEEDHN C(#CCN1CCOC[C@H](C2CCC2)C1)CN1CCOC[C@H](C2CCC2)C1 ZINC000429028236 559789141 /nfs/dbraw/zinc/78/91/41/559789141.db2.gz MAUFHYXMWGEYMN-FGZHOGPDSA-N 0 3 360.542 2.487 20 30 FEEDHN COCCN(C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCCSC1 ZINC000433193387 559873273 /nfs/dbraw/zinc/87/32/73/559873273.db2.gz QCOYCDGUIQMXPC-DLBZAZTESA-N 0 3 350.484 2.142 20 30 FEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434593274 559903163 /nfs/dbraw/zinc/90/31/63/559903163.db2.gz AMVLYYRTKHQQTQ-GASCZTMLSA-N 0 3 373.501 2.432 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000437041301 559959748 /nfs/dbraw/zinc/95/97/48/559959748.db2.gz LLOKWMUCZFEISD-AEFFLSMTSA-N 0 3 359.470 2.093 20 30 FEEDHN CCN1CCN([C@H]2CCN(Cc3ccc(C#N)cc3OC(F)F)C2)CC1 ZINC000439532150 559996498 /nfs/dbraw/zinc/99/64/98/559996498.db2.gz SCYGRFWLVUBVLW-KRWDZBQOSA-N 0 3 364.440 2.371 20 30 FEEDHN CO[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1(C)C ZINC000440342490 560009106 /nfs/dbraw/zinc/00/91/06/560009106.db2.gz RLKVVFUWHMEFSZ-ROUUACIJSA-N 0 3 358.486 2.445 20 30 FEEDHN COc1ccc(C2(NCCC(=O)N(C)CCC#N)CCOCC2)cc1F ZINC000444812508 560121597 /nfs/dbraw/zinc/12/15/97/560121597.db2.gz KXIDLJNQWODPBS-UHFFFAOYSA-N 0 3 363.433 2.192 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448601768 560192190 /nfs/dbraw/zinc/19/21/90/560192190.db2.gz XESFSEONGHBVGX-HOCLYGCPSA-N 0 3 374.872 2.165 20 30 FEEDHN N#Cc1ccc(N2C[C@H](C(=O)NCCN3CCCCC3)CC2=O)cc1Cl ZINC000448706076 560195369 /nfs/dbraw/zinc/19/53/69/560195369.db2.gz WTZDQWKORYOGRG-OAHLLOKOSA-N 0 3 374.872 2.167 20 30 FEEDHN COc1cc(CNC(=O)c2cc(C#N)[nH]c2C)ccc1OCCN(C)C ZINC000448851283 560202905 /nfs/dbraw/zinc/20/29/05/560202905.db2.gz CATGNQOULGFQLM-UHFFFAOYSA-N 0 3 356.426 2.074 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(-c2cccnc2)nn1)C(C)C ZINC000449800417 560240377 /nfs/dbraw/zinc/24/03/77/560240377.db2.gz CUMWXQIPZKRRKS-SFHVURJKSA-N 0 3 354.458 2.091 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2n(n1)CCCC2 ZINC000449813894 560241005 /nfs/dbraw/zinc/24/10/05/560241005.db2.gz ZMBFBEJFUSAKRF-UHFFFAOYSA-N 0 3 351.454 2.295 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3cccc(F)c3C#N)C2)CC1 ZINC000451529954 560312366 /nfs/dbraw/zinc/31/23/66/560312366.db2.gz OGEKYJMVIHMPKL-GOSISDBHSA-N 0 3 372.488 2.464 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3cc(F)ccc3C#N)C2)CC1 ZINC000451534175 560312959 /nfs/dbraw/zinc/31/29/59/560312959.db2.gz MVZGNLYKVAKLSV-GOSISDBHSA-N 0 3 372.488 2.464 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)c1 ZINC000453610659 560390984 /nfs/dbraw/zinc/39/09/84/560390984.db2.gz KDXKBELNRVPRTL-IBGZPJMESA-N 0 3 364.449 2.094 20 30 FEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453713517 560398992 /nfs/dbraw/zinc/39/89/92/560398992.db2.gz INVAYAPUVQZKEK-LRDDRELGSA-N 0 3 362.861 2.143 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000454116812 560430638 /nfs/dbraw/zinc/43/06/38/560430638.db2.gz XUAPVABQJOSESC-INIZCTEOSA-N 0 3 372.469 2.225 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1 ZINC000457297980 560560976 /nfs/dbraw/zinc/56/09/76/560560976.db2.gz YSOVDRIWNRFDET-OXQOHEQNSA-N 0 3 374.444 2.104 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C(=O)OC)[C@H](c3ccccc3)C2)CC1 ZINC000458330406 560615132 /nfs/dbraw/zinc/61/51/32/560615132.db2.gz GOLFHVBUIJGQBK-OALUTQOASA-N 0 3 371.481 2.235 20 30 FEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000458704393 560642041 /nfs/dbraw/zinc/64/20/41/560642041.db2.gz AKXFHWOPSJMPDG-GOSISDBHSA-N 0 3 358.486 2.469 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000459038708 560663069 /nfs/dbraw/zinc/66/30/69/560663069.db2.gz WKTHGXJDNXGDMP-WCIQWLHISA-N 0 3 355.482 2.493 20 30 FEEDHN CC[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000459931526 560720948 /nfs/dbraw/zinc/72/09/48/560720948.db2.gz XFGUGPDIWCBSDN-QGZVFWFLSA-N 0 3 370.497 2.097 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000459993105 560727149 /nfs/dbraw/zinc/72/71/49/560727149.db2.gz UFXQPGQAXNSUKB-LJQANCHMSA-N 0 3 355.482 2.288 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000460049374 560731451 /nfs/dbraw/zinc/73/14/51/560731451.db2.gz AFZIOGXHEJONSK-UHFFFAOYSA-N 0 3 351.878 2.265 20 30 FEEDHN C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000460573211 560746449 /nfs/dbraw/zinc/74/64/49/560746449.db2.gz KRUPHCBVWYVHHT-SFHVURJKSA-N 0 3 358.534 2.023 20 30 FEEDHN C[C@H](C(=O)NCc1ccncc1OCCN(C)C)c1cccc(C#N)c1 ZINC000462444338 560810260 /nfs/dbraw/zinc/81/02/60/560810260.db2.gz KASVDNGXSVZFMS-HNNXBMFYSA-N 0 3 352.438 2.314 20 30 FEEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)CC1(C#N)CC1 ZINC000463871047 560827474 /nfs/dbraw/zinc/82/74/74/560827474.db2.gz PGSDEPLEYTYZQX-UHFFFAOYSA-N 0 3 355.426 2.216 20 30 FEEDHN COC(=O)c1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000470750669 560988684 /nfs/dbraw/zinc/98/86/84/560988684.db2.gz XPBWMRQRNWTBAO-LJQANCHMSA-N 0 3 361.401 2.386 20 30 FEEDHN CN(CC(=O)NCc1cccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472145090 561019312 /nfs/dbraw/zinc/01/93/12/561019312.db2.gz AVUDTYUHXFOOFN-MRXNPFEDSA-N 0 3 366.446 2.077 20 30 FEEDHN Cn1ncc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c1C#N ZINC000474959542 561086313 /nfs/dbraw/zinc/08/63/13/561086313.db2.gz HJNCKARHPDHPTC-IBGZPJMESA-N 0 3 365.481 2.495 20 30 FEEDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1ccccc1C#N ZINC000528489139 562331999 /nfs/dbraw/zinc/33/19/99/562331999.db2.gz HJRSBBOMGOAIAB-IPQPSQTFSA-N 0 3 366.465 2.442 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCCN2c3ccccc3C[C@H]2C1 ZINC000528504226 562332919 /nfs/dbraw/zinc/33/29/19/562332919.db2.gz NCUILZPTGQOMJW-PMACEKPBSA-N 0 3 363.461 2.435 20 30 FEEDHN N#Cc1ccc(CC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)cn1 ZINC000528922643 562353070 /nfs/dbraw/zinc/35/30/70/562353070.db2.gz AMRNXCVZFZZGBY-UHFFFAOYSA-N 0 3 350.422 2.091 20 30 FEEDHN COc1cccc(N2CC[C@@H](NC[C@H](O)COc3ccccc3C#N)C2)c1 ZINC000530231300 562403066 /nfs/dbraw/zinc/40/30/66/562403066.db2.gz OBAJDAQTMHMCJT-MJGOQNOKSA-N 0 3 367.449 2.175 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)Cc3cccc(C#N)c3)cc2)CC1 ZINC000531384810 562444244 /nfs/dbraw/zinc/44/42/44/562444244.db2.gz GPNIXMOHHGAQAX-UHFFFAOYSA-N 0 3 362.477 2.165 20 30 FEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3ccnn3)cc2)n1 ZINC000534839364 562543461 /nfs/dbraw/zinc/54/34/61/562543461.db2.gz IFJQFLADIDPVJR-CYBMUJFWSA-N 0 3 367.390 2.391 20 30 FEEDHN N#Cc1cccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000536432773 562575404 /nfs/dbraw/zinc/57/54/04/562575404.db2.gz VFGFLAUAZDDEJX-RTWAWAEBSA-N 0 3 363.461 2.100 20 30 FEEDHN C[C@H](NC(=O)C(=O)NCc1ccc(CN(C)C)cc1)c1ccc(C#N)cc1 ZINC000550121160 562642964 /nfs/dbraw/zinc/64/29/64/562642964.db2.gz WXDUDJWAIIRMNE-HNNXBMFYSA-N 0 3 364.449 2.113 20 30 FEEDHN N#CCc1ccc(OC[C@H](O)CNCc2cccc3c2CCOC3)cc1 ZINC000601969655 567890210 /nfs/dbraw/zinc/89/02/10/567890210.db2.gz RPMYRQVPNYANNB-LJQANCHMSA-N 0 3 352.434 2.355 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000602113375 567930506 /nfs/dbraw/zinc/93/05/06/567930506.db2.gz NOEMKWWNUXOCEY-KSZLIROESA-N 0 3 360.479 2.327 20 30 FEEDHN N#CCCN1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000602223314 567957074 /nfs/dbraw/zinc/95/70/74/567957074.db2.gz OFVPFQKZTHLUIJ-LJQANCHMSA-N 0 3 355.486 2.064 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000602519435 567986984 /nfs/dbraw/zinc/98/69/84/567986984.db2.gz FIQJBYVURFGTHL-INIZCTEOSA-N 0 3 359.470 2.342 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000602512471 567989322 /nfs/dbraw/zinc/98/93/22/567989322.db2.gz BKZPEZUJECEQSZ-AWEZNQCLSA-N 0 3 351.472 2.247 20 30 FEEDHN C[C@@H]1CN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C[C@@H](C)N1CC#N ZINC000602848992 568000827 /nfs/dbraw/zinc/00/08/27/568000827.db2.gz JBIRZBFGOTWYBE-VPRUJKLYSA-N 0 3 365.518 2.168 20 30 FEEDHN CCN(CCC#N)C(=O)CN1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000602879108 568003749 /nfs/dbraw/zinc/00/37/49/568003749.db2.gz YOEFYYNPMBNHEG-UHFFFAOYSA-N 0 3 366.469 2.413 20 30 FEEDHN COC(=O)[C@@]1(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000602729478 568024776 /nfs/dbraw/zinc/02/47/76/568024776.db2.gz QCRTZZWGNBDTJC-YWZLYKJASA-N 0 3 367.453 2.490 20 30 FEEDHN Cc1nn(-c2ccncc2)cc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000568520827 568045908 /nfs/dbraw/zinc/04/59/08/568045908.db2.gz AQLZQHSNFQOXOS-IBGZPJMESA-N 0 3 360.421 2.496 20 30 FEEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(CCN(C)C)nn1 ZINC000603199506 568072960 /nfs/dbraw/zinc/07/29/60/568072960.db2.gz SRWSDVNNJABUGP-AWEZNQCLSA-N 0 3 358.421 2.029 20 30 FEEDHN CCNCc1ccn(Cc2cn(Cc3ccccc3C(C)(C)C#N)nn2)n1 ZINC000603250939 568078603 /nfs/dbraw/zinc/07/86/03/568078603.db2.gz QEAGSZQIPDFQOJ-UHFFFAOYSA-N 0 3 363.469 2.482 20 30 FEEDHN C=CC(C)(C)CCNC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000636853213 568141126 /nfs/dbraw/zinc/14/11/26/568141126.db2.gz NXHKZYYIUULIRQ-INIZCTEOSA-N 0 3 372.513 2.442 20 30 FEEDHN CCN1CCN(c2ccccc2NCc2cnc3c(C#N)cnn3c2)CC1 ZINC000570570928 568488671 /nfs/dbraw/zinc/48/86/71/568488671.db2.gz RDXNFEGAANGHBF-UHFFFAOYSA-N 0 3 361.453 2.355 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137396 598559574 /nfs/dbraw/zinc/55/95/74/598559574.db2.gz XDUXCGOIUKRAQU-NSHDSACASA-N 0 3 367.438 2.479 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137396 598559575 /nfs/dbraw/zinc/55/95/75/598559575.db2.gz XDUXCGOIUKRAQU-NSHDSACASA-N 0 3 367.438 2.479 20 30 FEEDHN C[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC#N)cc1 ZINC000824600362 608493438 /nfs/dbraw/zinc/49/34/38/608493438.db2.gz ZATATOYLLSJBFD-AWEZNQCLSA-N 0 3 364.409 2.499 20 30 FEEDHN C[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC#N)cc1 ZINC000824600363 608493475 /nfs/dbraw/zinc/49/34/75/608493475.db2.gz ZATATOYLLSJBFD-CQSZACIVSA-N 0 3 364.409 2.499 20 30 FEEDHN C#C[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000811914191 674639005 /nfs/dbraw/zinc/63/90/05/674639005.db2.gz DEBJLVBVEPMOJU-QGZVFWFLSA-N 0 3 362.905 2.340 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000815082803 674914093 /nfs/dbraw/zinc/91/40/93/674914093.db2.gz GCZHIYGCCMGBCB-UHFFFAOYSA-N 0 3 352.500 2.345 20 30 FEEDHN CC#CCN1C[C@@H]2CN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@@H]2C1 ZINC001048872983 675017501 /nfs/dbraw/zinc/01/75/01/675017501.db2.gz JRLVQLALDGHZGR-XUWVNRHRSA-N 0 3 358.404 2.290 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/CCCN(C)S(=O)(=O)CC)c([O-])c1 ZINC000031643576 670123529 /nfs/dbraw/zinc/12/35/29/670123529.db2.gz ZKFXDHHJUADARE-NBVRZTHBSA-N 0 3 355.504 2.329 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N(CC)CC ZINC000052485635 670314538 /nfs/dbraw/zinc/31/45/38/670314538.db2.gz KIVSFMPENNTBQJ-UHFFFAOYSA-N 0 3 365.547 2.453 20 30 FEEDHN C[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)N(C)c1ccccc1 ZINC000571195990 670833350 /nfs/dbraw/zinc/83/33/50/670833350.db2.gz AJJJULZHUSAKKV-MRXNPFEDSA-N 0 3 357.479 2.446 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000575094389 671297993 /nfs/dbraw/zinc/29/79/93/671297993.db2.gz NSEALUWMIJNQPG-GFCCVEGCSA-N 0 3 363.849 2.324 20 30 FEEDHN CSC1(CNS(=O)(=O)c2cccc(Cl)c2C#N)CCN(C)CC1 ZINC000577149161 671419824 /nfs/dbraw/zinc/41/98/24/671419824.db2.gz ZENFKIITHIPCHR-UHFFFAOYSA-N 0 3 373.931 2.317 20 30 FEEDHN C=CCC[C@H](CO)NCCS(=O)(=O)c1cccc(Br)c1 ZINC000578192836 671647594 /nfs/dbraw/zinc/64/75/94/671647594.db2.gz BOXJTLAIUDBXLC-CYBMUJFWSA-N 0 3 362.289 2.140 20 30 FEEDHN COc1ccc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000581543582 671909017 /nfs/dbraw/zinc/90/90/17/671909017.db2.gz NBRQUGPLMGYITF-UHFFFAOYSA-N 0 3 362.426 2.312 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCC(C)(C)C(=O)NC ZINC000120274046 671921754 /nfs/dbraw/zinc/92/17/54/671921754.db2.gz NMFQSTWDFUKOEA-UHFFFAOYSA-N 0 3 353.260 2.323 20 30 FEEDHN COc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)cc1Br ZINC000129564895 672064297 /nfs/dbraw/zinc/06/42/97/672064297.db2.gz ZEUSCNCBAGMSIU-GFCCVEGCSA-N 0 3 365.227 2.378 20 30 FEEDHN CNC(=O)C(C#N)C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000133493779 672111462 /nfs/dbraw/zinc/11/14/62/672111462.db2.gz JJXVSFICYOVSIT-AWEZNQCLSA-N 0 3 361.195 2.436 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCc1ccccc1Br ZINC000178085693 672388884 /nfs/dbraw/zinc/38/88/84/672388884.db2.gz VLOUBIBYMOCYAA-CYBMUJFWSA-N 0 3 367.243 2.243 20 30 FEEDHN C=CCn1c(C2CC2)nn(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1=S ZINC000188842776 672599269 /nfs/dbraw/zinc/59/92/69/672599269.db2.gz TYNCDQNQDBTAQH-AWEZNQCLSA-N 0 3 365.547 2.212 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](CO)N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000591029352 672643150 /nfs/dbraw/zinc/64/31/50/672643150.db2.gz JJOLPMQQFITPHX-XYPHTWIQSA-N 0 3 355.463 2.479 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000591938945 672724240 /nfs/dbraw/zinc/72/42/40/672724240.db2.gz MEXKOWRKXCYUSL-ZBFHGGJFSA-N 0 3 351.491 2.446 20 30 FEEDHN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000193696188 672733508 /nfs/dbraw/zinc/73/35/08/672733508.db2.gz FZHVJCJOCJZBBB-AWEZNQCLSA-N 0 3 359.451 2.348 20 30 FEEDHN N#CC[C@@]1(O)CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000592145919 672764142 /nfs/dbraw/zinc/76/41/42/672764142.db2.gz BGRNXVXZLCGUEB-OAHLLOKOSA-N 0 3 370.222 2.267 20 30 FEEDHN CNC(=O)[C@]1(C(F)(F)F)CCN(CCCOc2cccc(C#N)c2)C1 ZINC000592186173 672768874 /nfs/dbraw/zinc/76/88/74/672768874.db2.gz TYBRFSZWISASFT-INIZCTEOSA-N 0 3 355.360 2.328 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000594429579 673070697 /nfs/dbraw/zinc/07/06/97/673070697.db2.gz RPVPXDBZXLLGCJ-AWEZNQCLSA-N 0 3 351.834 2.181 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000594433584 673071213 /nfs/dbraw/zinc/07/12/13/673071213.db2.gz HMJSSUVNYPMXAX-CQSZACIVSA-N 0 3 368.279 2.220 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000594438958 673071859 /nfs/dbraw/zinc/07/18/59/673071859.db2.gz RISLWNCFAPGCLB-DYVFJYSZSA-N 0 3 350.413 2.319 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000594441313 673071956 /nfs/dbraw/zinc/07/19/56/673071956.db2.gz QTEZPJXMCOWIGO-CQSZACIVSA-N 0 3 370.284 2.448 20 30 FEEDHN COC(=O)[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)c(F)c1 ZINC000594443185 673072585 /nfs/dbraw/zinc/07/25/85/673072585.db2.gz NOULRQZQKDBRFJ-KBPBESRZSA-N 0 3 355.797 2.221 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCN(C)C2)nc1C ZINC000729284324 673231259 /nfs/dbraw/zinc/23/12/59/673231259.db2.gz YQEPJVDNGAZPQN-SNVBAGLBSA-N 0 3 364.500 2.075 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)CN1C1CC1 ZINC000595553434 673265452 /nfs/dbraw/zinc/26/54/52/673265452.db2.gz HEPKZILDXADQEB-KBPBESRZSA-N 0 3 359.499 2.077 20 30 FEEDHN CN(CCN1CCCC1=O)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000732984838 673392264 /nfs/dbraw/zinc/39/22/64/673392264.db2.gz GRIFIWWLDMSMNT-ZDUSSCGKSA-N 0 3 356.451 2.027 20 30 FEEDHN N#Cc1cccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000733330848 673409980 /nfs/dbraw/zinc/40/99/80/673409980.db2.gz PXAMKJBFFOODNW-UHFFFAOYSA-N 0 3 355.463 2.083 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@H]1N1CCCC1 ZINC000597507687 673483360 /nfs/dbraw/zinc/48/33/60/673483360.db2.gz RSPADOGTUDGTQI-CVEARBPZSA-N 0 3 351.422 2.488 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](c2cccs2)C2CC2)CC1 ZINC000542510081 673587602 /nfs/dbraw/zinc/58/76/02/673587602.db2.gz ISCPASKAVFGEGS-LPHOPBHVSA-N 0 3 360.527 2.481 20 30 FEEDHN N#CC1(C[C@H](O)CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000600732799 673795159 /nfs/dbraw/zinc/79/51/59/673795159.db2.gz UZWXNVKBUBWXNX-SWLSCSKDSA-N 0 3 351.809 2.229 20 30 FEEDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000601421130 673859644 /nfs/dbraw/zinc/85/96/44/673859644.db2.gz CGXNPLJSNMSAHP-GXFFZTMASA-N 0 3 361.389 2.290 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000601421386 673859767 /nfs/dbraw/zinc/85/97/67/673859767.db2.gz FRVYBTDLHDFPSY-QGZVFWFLSA-N 0 3 351.447 2.112 20 30 FEEDHN C=CCN1CCC(NC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000548730732 673990780 /nfs/dbraw/zinc/99/07/80/673990780.db2.gz JXSZQMDNEGSFMV-UHFFFAOYSA-N 0 3 353.260 2.464 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000818589050 675226468 /nfs/dbraw/zinc/22/64/68/675226468.db2.gz NGGOEISROJPIOS-UHFFFAOYSA-N 0 3 352.360 2.126 20 30 FEEDHN CN(C)CCn1nccc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000818937734 675244090 /nfs/dbraw/zinc/24/40/90/675244090.db2.gz NCALAKFTFFYFLD-UHFFFAOYSA-N 0 3 350.344 2.454 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)CC1 ZINC000823808648 675572772 /nfs/dbraw/zinc/57/27/72/675572772.db2.gz QPCDVPAMYOEDKN-UHFFFAOYSA-N 0 3 354.237 2.376 20 30 FEEDHN C=CCOc1c(Cl)cc(CNC[C@H]2CN(C)CCN2C)cc1OC ZINC000623414032 676533891 /nfs/dbraw/zinc/53/38/91/676533891.db2.gz QVZVEFFEJUKDHF-HNNXBMFYSA-N 0 3 353.894 2.249 20 30 FEEDHN O[C@H](CNCC#Cc1cccc(C(F)(F)F)c1)COC1CCOCC1 ZINC000644515380 677245022 /nfs/dbraw/zinc/24/50/22/677245022.db2.gz RSJOKGKJWHWLLN-MRXNPFEDSA-N 0 3 357.372 2.203 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@H]1CCCNC1=O ZINC000839196998 680744070 /nfs/dbraw/zinc/74/40/70/680744070.db2.gz ZCGQENAFMPQMLG-GFCCVEGCSA-N 0 3 351.244 2.077 20 30 FEEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000658752868 678123409 /nfs/dbraw/zinc/12/34/09/678123409.db2.gz RTCVUSFAFMKRIV-MRXNPFEDSA-N 0 3 363.527 2.453 20 30 FEEDHN C=CC[C@H]1CCCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000661378726 678472740 /nfs/dbraw/zinc/47/27/40/678472740.db2.gz LFZQFNDUJOQISV-INIZCTEOSA-N 0 3 361.511 2.321 20 30 FEEDHN C=CCCOCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000674714731 679502514 /nfs/dbraw/zinc/50/25/14/679502514.db2.gz DYISHKNVIZKBST-UHFFFAOYSA-N 0 3 350.434 2.378 20 30 FEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000911920148 685282294 /nfs/dbraw/zinc/28/22/94/685282294.db2.gz VJXNWHNOOCOEDT-MRXNPFEDSA-N 0 3 351.472 2.093 20 30 FEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001022102874 680196135 /nfs/dbraw/zinc/19/61/35/680196135.db2.gz AWXXOUYALYPKNR-LJISPDSOSA-N 0 3 350.260 2.331 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN(CCc2ccns2)C1 ZINC001023376072 680257275 /nfs/dbraw/zinc/25/72/75/680257275.db2.gz VNTIIQVRBGVTTN-JQHSSLGASA-N 0 3 363.527 2.495 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN(CCc2ccns2)C1 ZINC001023643295 680268668 /nfs/dbraw/zinc/26/86/68/680268668.db2.gz TYWSUSCRPCVQBD-SZMVWBNQSA-N 0 3 363.527 2.495 20 30 FEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000998788894 680388875 /nfs/dbraw/zinc/38/88/75/680388875.db2.gz UZHWESALTRSLAK-LHUBUQBQSA-N 0 3 362.905 2.485 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000755250574 680406848 /nfs/dbraw/zinc/40/68/48/680406848.db2.gz PDQNLCDONYLHAU-AWEZNQCLSA-N 0 3 354.495 2.239 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000836488722 680476322 /nfs/dbraw/zinc/47/63/22/680476322.db2.gz MJADIKRMEAKAKJ-OAHLLOKOSA-N 0 3 358.269 2.281 20 30 FEEDHN CC[C@H](C(=O)N1CC[C@H]2CN(c3snc(Cl)c3C#N)C[C@H]21)N(C)C ZINC001040671397 680482513 /nfs/dbraw/zinc/48/25/13/680482513.db2.gz PTYVDJAFDYKRQS-CYZMBNFOSA-N 0 3 367.906 2.045 20 30 FEEDHN CC[C@H](C(=O)N1CC[C@H]2CCN(c3snc(C)c3C#N)[C@H]2C1)N(C)C ZINC001045073737 680620998 /nfs/dbraw/zinc/62/09/98/680620998.db2.gz SDRKQJGZPFDRDE-IMJJTQAJSA-N 0 3 361.515 2.091 20 30 FEEDHN C=C(Br)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000767154542 680900861 /nfs/dbraw/zinc/90/08/61/680900861.db2.gz SADHTPOOQWUCDD-INIZCTEOSA-N 0 3 364.243 2.092 20 30 FEEDHN C[C@@H](C[C@@H](O)c1cccs1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000843103450 680987976 /nfs/dbraw/zinc/98/79/76/680987976.db2.gz BGXAZRACMRXAMD-XJKSGUPXSA-N 0 3 364.492 2.495 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCC[C@@H]2CC2(Cl)Cl)nc1 ZINC000844277438 681047467 /nfs/dbraw/zinc/04/74/67/681047467.db2.gz LGVCLWJQKGZBTI-GFCCVEGCSA-N 0 3 362.282 2.291 20 30 FEEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000771664897 681065435 /nfs/dbraw/zinc/06/54/35/681065435.db2.gz YZLLXYVBNGUGMU-QGZVFWFLSA-N 0 3 354.539 2.490 20 30 FEEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932892346 681323636 /nfs/dbraw/zinc/32/36/36/681323636.db2.gz GYQFERHSSLXENI-OLZOCXBDSA-N 0 3 362.396 2.116 20 30 FEEDHN COCCCOCC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000776075924 681361377 /nfs/dbraw/zinc/36/13/77/681361377.db2.gz AAOHFBJEANXDFJ-GFCCVEGCSA-N 0 3 368.817 2.358 20 30 FEEDHN COCCCOCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000776078265 681361727 /nfs/dbraw/zinc/36/17/27/681361727.db2.gz WIIBLVWPRPMMQZ-LBPRGKRZSA-N 0 3 354.790 2.049 20 30 FEEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933753884 681463692 /nfs/dbraw/zinc/46/36/92/681463692.db2.gz AQBYBJICWDTWFK-YNKQFZHNSA-N 0 3 360.845 2.126 20 30 FEEDHN CN(C)[C@@H](CNC(=O)CN(C)Cc1cc(C#N)cs1)c1ccccc1 ZINC000933773252 681466588 /nfs/dbraw/zinc/46/65/88/681466588.db2.gz IDWZEWGLDZFTMI-SFHVURJKSA-N 0 3 356.495 2.471 20 30 FEEDHN C=C(Br)CNC1CCC(N(C)C(=O)[C@]23C[C@H]2COC3)CC1 ZINC000963344766 682139025 /nfs/dbraw/zinc/13/90/25/682139025.db2.gz UOMCNAPPVSLCAO-USPMSXPRSA-N 0 3 357.292 2.291 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCO[C@@H]1CCOC1 ZINC000916410439 685524353 /nfs/dbraw/zinc/52/43/53/685524353.db2.gz UZNQPIYGRICEIN-MRXNPFEDSA-N 0 3 366.531 2.390 20 30 FEEDHN C#CCOCCN[C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000852045686 682209339 /nfs/dbraw/zinc/20/93/39/682209339.db2.gz YNRMNEZJZKRYHL-INIZCTEOSA-N 0 3 354.244 2.467 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000916870945 685528387 /nfs/dbraw/zinc/52/83/87/685528387.db2.gz OOXSIJUUHLEKLK-YFHUEUNASA-N 0 3 352.475 2.325 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000916874663 685528413 /nfs/dbraw/zinc/52/84/13/685528413.db2.gz HYZDQBHRSYTGQJ-CABCVRRESA-N 0 3 351.447 2.260 20 30 FEEDHN COCCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCOC1 ZINC000786190059 682358474 /nfs/dbraw/zinc/35/84/74/682358474.db2.gz KSKSRUDUKLZEEN-KBPBESRZSA-N 0 3 359.451 2.210 20 30 FEEDHN CCN1CCN([C@@H](C)CNc2cc(Br)cnc2C#N)CC1 ZINC000787898117 682488496 /nfs/dbraw/zinc/48/84/96/682488496.db2.gz XIDZHLJSBYZOGK-LBPRGKRZSA-N 0 3 352.280 2.154 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000856133133 682745005 /nfs/dbraw/zinc/74/50/05/682745005.db2.gz ODNZJLMPQXVFFW-INIZCTEOSA-N 0 3 355.265 2.488 20 30 FEEDHN C=CCCS(=O)(=O)N1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856549057 682792794 /nfs/dbraw/zinc/79/27/94/682792794.db2.gz KBQKMAWVENVDGI-GOSISDBHSA-N 0 3 367.515 2.281 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCCCN2S(C)(=O)=O)c([O-])c1 ZINC000794676330 682989243 /nfs/dbraw/zinc/98/92/43/682989243.db2.gz MTFWERSWBCWESI-AMRJIULGSA-N 0 3 367.515 2.471 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000926127317 683079951 /nfs/dbraw/zinc/07/99/51/683079951.db2.gz WXISLUTXKMRKAF-OAHLLOKOSA-N 0 3 372.531 2.499 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccccc1I ZINC000796792123 683195901 /nfs/dbraw/zinc/19/59/01/683195901.db2.gz IOAZRIZTABJGMN-LLVKDONJSA-N 0 3 370.190 2.067 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cn(C3CC3)nn2)cc1Cl ZINC000860473757 683248786 /nfs/dbraw/zinc/24/87/86/683248786.db2.gz RLYZQEXEGAZVPC-NSHDSACASA-N 0 3 359.773 2.236 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNc2cc(Br)cnc2C#N)CC1 ZINC000798216939 683322176 /nfs/dbraw/zinc/32/21/76/683322176.db2.gz LLAVBKKGPIRHGL-ZDUSSCGKSA-N 0 3 366.307 2.401 20 30 FEEDHN C=CCN1CC[C@H](N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000799358874 683448169 /nfs/dbraw/zinc/44/81/69/683448169.db2.gz OGAFAKJKMJXFBT-CVEARBPZSA-N 0 3 351.491 2.400 20 30 FEEDHN C=C(C)CS(=O)(=O)NCC1(N(C)Cc2ccccc2)CCOCC1 ZINC000921631484 683526257 /nfs/dbraw/zinc/52/62/57/683526257.db2.gz IJJUKHPLQQUNFG-UHFFFAOYSA-N 0 3 352.500 2.163 20 30 FEEDHN Cc1ncc(S(=O)(=O)N(CC(C)C)CC2CCN(C)CC2)cc1C#N ZINC000867864392 684413413 /nfs/dbraw/zinc/41/34/13/684413413.db2.gz YAIJLOBVIOQVGB-UHFFFAOYSA-N 0 3 364.515 2.250 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCSCCC(F)(F)F)nc1 ZINC000872231976 684929833 /nfs/dbraw/zinc/92/98/33/684929833.db2.gz VYQKKPXXKRPDOK-UHFFFAOYSA-N 0 3 367.418 2.002 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000876602562 686226336 /nfs/dbraw/zinc/22/63/36/686226336.db2.gz BQKAQUQMDVBASP-AWEZNQCLSA-N 0 3 365.861 2.342 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000876716971 686252008 /nfs/dbraw/zinc/25/20/08/686252008.db2.gz RTUUHYGDZRPJGL-NTZNESFSSA-N 0 3 358.895 2.161 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2noc(CN(CC)CC)n2)CCCC1 ZINC000876737686 686257400 /nfs/dbraw/zinc/25/74/00/686257400.db2.gz UGIXKPGAXYUWRO-ZDUSSCGKSA-N 0 3 369.897 2.267 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000877037910 686315882 /nfs/dbraw/zinc/31/58/82/686315882.db2.gz ZANMZYGHJZRIBM-VXGBXAGGSA-N 0 3 360.216 2.171 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000877259659 686344141 /nfs/dbraw/zinc/34/41/41/686344141.db2.gz WCUBTELWEROZMD-CABZTGNLSA-N 0 3 359.651 2.339 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCCS(=O)(=O)CCc1ccccc1 ZINC000877501402 686392368 /nfs/dbraw/zinc/39/23/68/686392368.db2.gz OOFDQFXFEQRZNT-QGZVFWFLSA-N 0 3 364.511 2.332 20 30 FEEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000882769297 687480701 /nfs/dbraw/zinc/48/07/01/687480701.db2.gz PUVZFGLSKUJBNW-UHFFFAOYSA-N 0 3 353.875 2.461 20 30 FEEDHN COc1ccc(CNCC[C@@H]2CCCS2(=O)=O)cc1OCCCC#N ZINC000883300290 687603392 /nfs/dbraw/zinc/60/33/92/687603392.db2.gz SSMUHIPCHDOGTK-INIZCTEOSA-N 0 3 366.483 2.435 20 30 FEEDHN N#Cc1ccc(NCC(=O)NC[C@@H](c2cccs2)N2CCCC2)nc1 ZINC000498075359 687745323 /nfs/dbraw/zinc/74/53/23/687745323.db2.gz XRDFZYQEKVNFAN-HNNXBMFYSA-N 0 3 355.467 2.380 20 30 FEEDHN COCCOc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1Cl ZINC000884096860 687788024 /nfs/dbraw/zinc/78/80/24/687788024.db2.gz KSWYMWIKONCPOG-YNAXMUEKSA-N 0 3 363.845 2.443 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCO[C@@H](c3ccccc3Cl)C1)C2 ZINC000884124942 687795322 /nfs/dbraw/zinc/79/53/22/687795322.db2.gz LQXAFODLCFSXNE-VSOMRHIXSA-N 0 3 359.857 2.379 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3cccc(Br)c3C1)C2 ZINC000884142895 687799590 /nfs/dbraw/zinc/79/95/90/687799590.db2.gz OIHJBTYDMZLGKE-FVRSWCFKSA-N 0 3 374.282 2.473 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@H](OC1CCCC1)C(F)(F)F)C2 ZINC000884400569 687863799 /nfs/dbraw/zinc/86/37/99/687863799.db2.gz LZVWUAJDAPPOJK-BXJLINQZSA-N 0 3 359.392 2.132 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@H]1CCc2sccc2C1=O ZINC000892459604 689198956 /nfs/dbraw/zinc/19/89/56/689198956.db2.gz ZYUYNKRTKKLQFP-OCCSQVGLSA-N 0 3 362.451 2.135 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC000893239156 689319003 /nfs/dbraw/zinc/31/90/03/689319003.db2.gz SJNFSOPFLHMIPN-HNNXBMFYSA-N 0 3 363.531 2.035 20 30 FEEDHN C#CCC1(O)CCN(C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000895670850 689752315 /nfs/dbraw/zinc/75/23/15/689752315.db2.gz WNPMHFRXSMGPBO-OAHLLOKOSA-N 0 3 352.475 2.209 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)nc1 ZINC000906819204 691321839 /nfs/dbraw/zinc/32/18/39/691321839.db2.gz PBRIURIWFPCXKE-UHFFFAOYSA-N 0 3 356.451 2.028 20 30 FEEDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907205761 691422398 /nfs/dbraw/zinc/42/23/98/691422398.db2.gz HDUJIIYRAAHUSX-IINYFYTJSA-N 0 3 372.288 2.034 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@H]3C2)cn1 ZINC001164761055 721091095 /nfs/dbraw/zinc/09/10/95/721091095.db2.gz ALNHMURJKAABKW-ZWKOTPCHSA-N 0 3 373.464 2.193 20 30 FEEDHN Cc1cc(C#N)c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc1C ZINC001164764238 721112571 /nfs/dbraw/zinc/11/25/71/721112571.db2.gz HLRLWWOUKOROGR-IEBWSBKVSA-N 0 3 350.470 2.262 20 30 FEEDHN Cc1ccc(CC#N)c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164763210 721209700 /nfs/dbraw/zinc/20/97/00/721209700.db2.gz DSLSEUPYYNSKMR-OALUTQOASA-N 0 3 350.470 2.148 20 30 FEEDHN Cc1nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1CC#N ZINC001164769263 721210722 /nfs/dbraw/zinc/21/07/22/721210722.db2.gz LWTLEDPGGRLTCL-MOPGFXCFSA-N 0 3 350.470 2.148 20 30 FEEDHN N#Cc1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c1 ZINC001164898174 721523846 /nfs/dbraw/zinc/52/38/46/721523846.db2.gz IDBYGMBIOWKUBR-PKOBYXMFSA-N 0 3 363.396 2.306 20 30 FEEDHN Cc1nc(C#N)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164908700 721566397 /nfs/dbraw/zinc/56/63/97/721566397.db2.gz RSGYJWDXFRNHDH-WMZOPIPTSA-N 0 3 353.401 2.138 20 30 FEEDHN N#CC(C(=O)COc1ccsc1)C(=O)NCc1ccc(F)cc1F ZINC000800410582 674049928 /nfs/dbraw/zinc/04/99/28/674049928.db2.gz XHNUIVYPVVTZCQ-CYBMUJFWSA-N 0 3 350.346 2.430 20 30 FEEDHN N#CC(C(=O)COc1ccsc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000800410026 674049978 /nfs/dbraw/zinc/04/99/78/674049978.db2.gz SCSWSEUYIAYGHL-AWEZNQCLSA-N 0 3 359.363 2.060 20 30 FEEDHN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CN(C)C)c1 ZINC000024811307 539741065 /nfs/dbraw/zinc/74/10/65/539741065.db2.gz OINZJNBFAUZTGH-UHFFFAOYSA-N 0 3 373.478 2.465 20 30 FEEDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCOCCC#N ZINC000549938820 674074199 /nfs/dbraw/zinc/07/41/99/674074199.db2.gz MCEAEGIUTLDBHF-OAHLLOKOSA-N 0 3 351.472 2.150 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812536 540229424 /nfs/dbraw/zinc/22/94/24/540229424.db2.gz UIYDVZUVROHJHS-STQMWFEESA-N 0 3 358.442 2.086 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccc(C(N)=O)cc1)C(C)C ZINC000046905688 540276529 /nfs/dbraw/zinc/27/65/29/540276529.db2.gz JATUODWLVNGFCN-SFHVURJKSA-N 0 3 358.486 2.283 20 30 FEEDHN Cc1nn(C)c(C)c1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010311 540284652 /nfs/dbraw/zinc/28/46/52/540284652.db2.gz IXINFXWJPYFZDF-UHFFFAOYSA-N 0 3 353.470 2.042 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2ccc(OCC)c(OCC)c2)CC1 ZINC000050024276 540397365 /nfs/dbraw/zinc/39/73/65/540397365.db2.gz IGCJHURORLJDKE-UHFFFAOYSA-N 0 3 358.482 2.488 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000052930233 540500426 /nfs/dbraw/zinc/50/04/26/540500426.db2.gz LGANZAVPGGQOKC-OAHLLOKOSA-N 0 3 360.483 2.187 20 30 FEEDHN CN(C)CCOc1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1 ZINC000053992228 540563134 /nfs/dbraw/zinc/56/31/34/540563134.db2.gz WTNJFXGVBOUPER-UHFFFAOYSA-N 0 3 353.422 2.194 20 30 FEEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC(C(N)=O)CC3)sc2C1 ZINC000054423909 540589898 /nfs/dbraw/zinc/58/98/98/540589898.db2.gz YGKMNJDUMDKDLJ-GFCCVEGCSA-N 0 3 374.510 2.270 20 30 FEEDHN C#CCN1CCC(C(=O)NC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000057177206 540776709 /nfs/dbraw/zinc/77/67/09/540776709.db2.gz DUISUTJUUZWKCG-UHFFFAOYSA-N 0 3 357.473 2.252 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)N(C)C ZINC000057665775 540806541 /nfs/dbraw/zinc/80/65/41/540806541.db2.gz PCPCWAZYWBPXNB-SFHVURJKSA-N 0 3 356.470 2.432 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000059890722 540866443 /nfs/dbraw/zinc/86/64/43/540866443.db2.gz HHLLHRGBOAPSHP-QKKBWIMNSA-N 0 3 372.513 2.423 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000550729504 674107814 /nfs/dbraw/zinc/10/78/14/674107814.db2.gz RMZUUEIWDQAHEI-UHFFFAOYSA-N 0 3 370.280 2.376 20 30 FEEDHN N#CCCN(C(=O)CCC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000066622052 541348568 /nfs/dbraw/zinc/34/85/68/541348568.db2.gz NAFVEJQUMUYROX-MRXNPFEDSA-N 0 3 354.454 2.066 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)CC1 ZINC000066921276 541394173 /nfs/dbraw/zinc/39/41/73/541394173.db2.gz DEENZZWQERPXON-UHFFFAOYSA-N 0 3 363.483 2.040 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000067345249 541447168 /nfs/dbraw/zinc/44/71/68/541447168.db2.gz IZFADYPCIWRGJU-CVEARBPZSA-N 0 3 359.470 2.427 20 30 FEEDHN CN(C)CCOc1ccccc1C(=O)NCc1ccc(OCC#N)cc1 ZINC000067926311 541529288 /nfs/dbraw/zinc/52/92/88/541529288.db2.gz KNRCDLFABCYNFY-UHFFFAOYSA-N 0 3 353.422 2.459 20 30 FEEDHN Cc1cc(NC(=O)CON=C(N)c2cccc(CN3CCCCC3)c2)no1 ZINC000068877276 541636008 /nfs/dbraw/zinc/63/60/08/541636008.db2.gz XEHMCPYBTZBIFW-UHFFFAOYSA-N 0 3 371.441 2.245 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccccc2OCCn2ccnc2)CC1 ZINC000069008016 541648056 /nfs/dbraw/zinc/64/80/56/541648056.db2.gz BMJDZHUNIYCLQO-UHFFFAOYSA-N 0 3 352.438 2.246 20 30 FEEDHN CCOC(=O)c1ccc(N2CCCN(CCCSCC#N)CC2)nc1 ZINC000072515609 541824900 /nfs/dbraw/zinc/82/49/00/541824900.db2.gz FKJGDOZCGQYHSN-UHFFFAOYSA-N 0 3 362.499 2.417 20 30 FEEDHN CCN(CCC#N)C(=O)CN(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000072801214 541868281 /nfs/dbraw/zinc/86/82/81/541868281.db2.gz QQKMDGTXORMZLU-UHFFFAOYSA-N 0 3 358.486 2.358 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)C(C)C ZINC000073806522 542002043 /nfs/dbraw/zinc/00/20/43/542002043.db2.gz MUXKCBCRUFJLID-KRWDZBQOSA-N 0 3 357.454 2.446 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)CC1 ZINC000074129953 542040992 /nfs/dbraw/zinc/04/09/92/542040992.db2.gz GWZTUASZOSJPSM-UHFFFAOYSA-N 0 3 350.507 2.068 20 30 FEEDHN CCN(CC(=O)N(CC)CCC#N)CC1CCN(c2ccccn2)CC1 ZINC000076108804 542233980 /nfs/dbraw/zinc/23/39/80/542233980.db2.gz LSGNLBWRKDYZSG-UHFFFAOYSA-N 0 3 357.502 2.382 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000076526342 542289032 /nfs/dbraw/zinc/28/90/32/542289032.db2.gz GBOZLSQDVXLFMR-UHFFFAOYSA-N 0 3 369.387 2.497 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000076593091 542298301 /nfs/dbraw/zinc/29/83/01/542298301.db2.gz HAQQEAPCTYRFCO-YJBOKZPZSA-N 0 3 361.511 2.424 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(CC(N)=O)CC1)CCC2 ZINC000077168567 542350130 /nfs/dbraw/zinc/35/01/30/542350130.db2.gz INYXXGOWHVFBIV-UHFFFAOYSA-N 0 3 360.483 2.024 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000077284388 542361867 /nfs/dbraw/zinc/36/18/67/542361867.db2.gz VEZLPMRVRBZMCF-INIZCTEOSA-N 0 3 359.470 2.131 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000078788485 542481131 /nfs/dbraw/zinc/48/11/31/542481131.db2.gz HBXLHBPPQIZUPV-UHFFFAOYSA-N 0 3 360.458 2.169 20 30 FEEDHN CC(C)N1CC[C@H](NCC(=O)NCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000801956573 674156867 /nfs/dbraw/zinc/15/68/67/674156867.db2.gz POZFYEFQDSGGED-FUHWJXTLSA-N 0 3 350.413 2.108 20 30 FEEDHN C=CCNC(=O)c1ccc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)nc1 ZINC000091478652 542809880 /nfs/dbraw/zinc/80/98/80/542809880.db2.gz DTAFOZZCAOYBAJ-IAGOWNOFSA-N 0 3 372.513 2.323 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1c(=O)cnc2ccccc21)C(C)C ZINC000101684432 543040946 /nfs/dbraw/zinc/04/09/46/543040946.db2.gz JIEGXKOXGAANKW-LJQANCHMSA-N 0 3 368.481 2.211 20 30 FEEDHN Cc1ccc(CN2CCC(CNC(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 ZINC000106584520 543240732 /nfs/dbraw/zinc/24/07/32/543240732.db2.gz HBSNAMBRVNHTOZ-IBGZPJMESA-N 0 3 356.470 2.141 20 30 FEEDHN CC(C)[C@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)N(C)C ZINC000106913689 543255420 /nfs/dbraw/zinc/25/54/20/543255420.db2.gz HUCBFBBHHAKZPV-LJQANCHMSA-N 0 3 365.481 2.341 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)ccc1Cl ZINC000106963495 543258617 /nfs/dbraw/zinc/25/86/17/543258617.db2.gz QAQMPCMVRTXJGH-AWEZNQCLSA-N 0 3 360.845 2.283 20 30 FEEDHN CCN1CCC(NC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000108604848 543297292 /nfs/dbraw/zinc/29/72/92/543297292.db2.gz ZDCJZVLGGYWQAU-UHFFFAOYSA-N 0 3 360.483 2.231 20 30 FEEDHN CN1CCC[C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000108587241 543296327 /nfs/dbraw/zinc/29/63/27/543296327.db2.gz IHLOBCRDSNRAOS-QGZVFWFLSA-N 0 3 356.470 2.453 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000109389945 543323672 /nfs/dbraw/zinc/32/36/72/543323672.db2.gz PXXBECGTWMIACX-SFHVURJKSA-N 0 3 354.454 2.364 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000111511347 543405528 /nfs/dbraw/zinc/40/55/28/543405528.db2.gz COUAYALIUKGAHH-SFHVURJKSA-N 0 3 355.486 2.264 20 30 FEEDHN CC(=O)N(C)C1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000112544704 543450941 /nfs/dbraw/zinc/45/09/41/543450941.db2.gz ZUUKLMBYHOTCBS-UHFFFAOYSA-N 0 3 362.861 2.483 20 30 FEEDHN CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(C)(C)O ZINC000114486892 543520729 /nfs/dbraw/zinc/52/07/29/543520729.db2.gz PNKJKTLJNBINFN-UHFFFAOYSA-N 0 3 356.388 2.266 20 30 FEEDHN CC1CCC(N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000115567320 543574723 /nfs/dbraw/zinc/57/47/23/543574723.db2.gz QKXRXYPYRSKKBT-LYBXBRPPSA-N 0 3 357.498 2.494 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000118129307 543647675 /nfs/dbraw/zinc/64/76/75/543647675.db2.gz XIRXIBXUNCESFJ-ZIAGYGMSSA-N 0 3 374.510 2.476 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2ccc(Br)o2)c1C#N ZINC000128175492 544036835 /nfs/dbraw/zinc/03/68/35/544036835.db2.gz PJRCCNMCWAAQCH-UHFFFAOYSA-N 0 3 352.192 2.041 20 30 FEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000128582365 544061174 /nfs/dbraw/zinc/06/11/74/544061174.db2.gz KCHUMKBEUUTKCB-MRXNPFEDSA-N 0 3 360.433 2.263 20 30 FEEDHN C=C[C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000129266822 544101120 /nfs/dbraw/zinc/10/11/20/544101120.db2.gz SQASBNGVNULVRX-SFHVURJKSA-N 0 3 355.482 2.113 20 30 FEEDHN N#CC1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCCC1 ZINC000132153709 544221165 /nfs/dbraw/zinc/22/11/65/544221165.db2.gz LRPKTCYSXDGBPU-UHFFFAOYSA-N 0 3 354.454 2.406 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(C)C ZINC000135841553 544362299 /nfs/dbraw/zinc/36/22/99/544362299.db2.gz IVNWVLMWQXIVMN-SFHVURJKSA-N 0 3 372.444 2.451 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000136226342 544369306 /nfs/dbraw/zinc/36/93/06/544369306.db2.gz OIKIJJUXRJFNHJ-OAHLLOKOSA-N 0 3 358.417 2.113 20 30 FEEDHN Cc1oc(NC(=O)[C@H](C)N2CCN(c3ccncc3)CC2)c(C#N)c1C ZINC000151291834 544525320 /nfs/dbraw/zinc/52/53/20/544525320.db2.gz QUGPRCYNFWUCFW-AWEZNQCLSA-N 0 3 353.426 2.312 20 30 FEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000154883934 544961566 /nfs/dbraw/zinc/96/15/66/544961566.db2.gz DQDJXNBNRLOQEZ-OAHLLOKOSA-N 0 3 351.454 2.495 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)CC1 ZINC000155179712 544998425 /nfs/dbraw/zinc/99/84/25/544998425.db2.gz RINMKWXGNCFCEJ-UHFFFAOYSA-N 0 3 353.426 2.086 20 30 FEEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000553661342 674277852 /nfs/dbraw/zinc/27/78/52/674277852.db2.gz UNWQDZXEHNBDKP-SJLPKXTDSA-N 0 3 364.467 2.043 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000189400338 328145509 /nfs/dbraw/zinc/14/55/09/328145509.db2.gz GCQOLDXIVBULTK-KRWDZBQOSA-N 0 3 354.454 2.282 20 30 FEEDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3cc(C#N)n(C)c3)cc2)C[C@H](C)O1 ZINC000190872778 328237613 /nfs/dbraw/zinc/23/76/13/328237613.db2.gz IHZFBWXEMWVDKK-IYBDPMFKSA-N 0 3 366.465 2.436 20 30 FEEDHN C[C@@H](O)CN1CCN(Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000192959938 328349228 /nfs/dbraw/zinc/34/92/28/328349228.db2.gz APWLOKMAAMIHFI-CHWSQXEVSA-N 0 3 352.276 2.208 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOC1CCOCC1 ZINC000084544993 325238870 /nfs/dbraw/zinc/23/88/70/325238870.db2.gz HZEHMJRKXBBGLT-UHFFFAOYSA-N 0 3 359.470 2.034 20 30 FEEDHN CC(C)OC(=O)c1ccc(CN(C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000089943708 325343958 /nfs/dbraw/zinc/34/39/58/325343958.db2.gz ULALLJVUNQIKHD-UHFFFAOYSA-N 0 3 355.442 2.493 20 30 FEEDHN COc1cc(CNC(=O)c2sccc2C#N)ccc1OCCN(C)C ZINC000101518297 325468839 /nfs/dbraw/zinc/46/88/39/325468839.db2.gz DSLQFARULFPTGN-UHFFFAOYSA-N 0 3 359.451 2.499 20 30 FEEDHN CC[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000117343004 326057862 /nfs/dbraw/zinc/05/78/62/326057862.db2.gz WYCUCWQWEKDORM-MRXNPFEDSA-N 0 3 359.474 2.015 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)N(C)Cc2cccc(C#N)c2)ccn1 ZINC000119017309 326118503 /nfs/dbraw/zinc/11/85/03/326118503.db2.gz RHMMPQYZPLRTKY-UHFFFAOYSA-N 0 3 367.453 2.235 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)CN1CCCCC1 ZINC000160959257 326983349 /nfs/dbraw/zinc/98/33/49/326983349.db2.gz MNDGOFXAJSDWHG-CQSZACIVSA-N 0 3 353.463 2.239 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000162398136 327024852 /nfs/dbraw/zinc/02/48/52/327024852.db2.gz NDRNKPLLJMKODD-KRWDZBQOSA-N 0 3 365.474 2.477 20 30 FEEDHN Cc1oc(NC(=O)[C@@H](C)N2CCC(N3CCO[C@H](C)C3)CC2)c(C#N)c1C ZINC000171750010 327158767 /nfs/dbraw/zinc/15/87/67/327158767.db2.gz VGYVLUZKIZCVOE-UKRRQHHQSA-N 0 3 374.485 2.280 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC(=O)OC(C)(C)C ZINC000266777285 329259009 /nfs/dbraw/zinc/25/90/09/329259009.db2.gz JNJAIPLKSPNZHA-UHFFFAOYSA-N 0 3 374.485 2.363 20 30 FEEDHN Cn1cc(CN2CCC(CCC(N)=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272338282 329771778 /nfs/dbraw/zinc/77/17/78/329771778.db2.gz YANHIQMOODYXHM-UHFFFAOYSA-N 0 3 351.454 2.436 20 30 FEEDHN CN(C)Cc1ccc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 ZINC000275629494 330072419 /nfs/dbraw/zinc/07/24/19/330072419.db2.gz JEFRRBTUJLEVMT-UHFFFAOYSA-N 0 3 368.441 2.149 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000275837466 330094807 /nfs/dbraw/zinc/09/48/07/330094807.db2.gz JGUFCULVBPZDAD-LBPRGKRZSA-N 0 3 362.861 2.339 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCc3ccccc3OC2)c1 ZINC000367217988 330231719 /nfs/dbraw/zinc/23/17/19/330231719.db2.gz DGIOZRVFPKBSSW-KRWDZBQOSA-N 0 3 356.447 2.315 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCN3CCCC[C@H]3C)C2)n1 ZINC000377932281 330252982 /nfs/dbraw/zinc/25/29/82/330252982.db2.gz OEKKYTXHUKKCDX-MJGOQNOKSA-N 0 3 369.513 2.469 20 30 FEEDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000157262279 545720408 /nfs/dbraw/zinc/72/04/08/545720408.db2.gz IKEZXKFEIDQJLT-UHFFFAOYSA-N 0 3 373.906 2.191 20 30 FEEDHN N#Cc1ccc(C(=O)NCC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000171115086 546191965 /nfs/dbraw/zinc/19/19/65/546191965.db2.gz SHCJRFCHDWBYTF-UHFFFAOYSA-N 0 3 368.481 2.013 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(-c3ccccc3C)nn2CCO)CC1 ZINC000171230267 546198729 /nfs/dbraw/zinc/19/87/29/546198729.db2.gz SWJXQSOGZORLEM-UHFFFAOYSA-N 0 3 366.465 2.135 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(Cc3ccncc3)CC2)CC1 ZINC000171554495 546213552 /nfs/dbraw/zinc/21/35/52/546213552.db2.gz GVHAXLRBTBDUEM-UHFFFAOYSA-N 0 3 371.529 2.386 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)CC1 ZINC000171636930 546217774 /nfs/dbraw/zinc/21/77/74/546217774.db2.gz HEARJASUSBRFOB-AWEZNQCLSA-N 0 3 360.458 2.432 20 30 FEEDHN C=CCN1CCC(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000171725694 546221503 /nfs/dbraw/zinc/22/15/03/546221503.db2.gz AXABKDFXQJAXKV-UHFFFAOYSA-N 0 3 369.387 2.202 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)CC1 ZINC000171737884 546222956 /nfs/dbraw/zinc/22/29/56/546222956.db2.gz RHKRDECCCLYPHT-QGZVFWFLSA-N 0 3 354.458 2.152 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)CC1 ZINC000171737884 546222963 /nfs/dbraw/zinc/22/29/63/546222963.db2.gz RHKRDECCCLYPHT-QGZVFWFLSA-N 0 3 354.458 2.152 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(C(=O)N(C)CCCC)CC2)CC1 ZINC000171740995 546223088 /nfs/dbraw/zinc/22/30/88/546223088.db2.gz RUGKNOFJWUTLHL-UHFFFAOYSA-N 0 3 364.534 2.317 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccccc2N2CCOCC2)CC1 ZINC000171740164 546223715 /nfs/dbraw/zinc/22/37/15/546223715.db2.gz MHJGPNJNYPJNQR-UHFFFAOYSA-N 0 3 372.513 2.315 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1 ZINC000173101833 546273005 /nfs/dbraw/zinc/27/30/05/546273005.db2.gz YQYOPKSPTHDOGW-UHFFFAOYSA-N 0 3 362.861 2.250 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1 ZINC000173196962 546275425 /nfs/dbraw/zinc/27/54/25/546275425.db2.gz JDOQRMDLNJEYFF-CRAIPNDOSA-N 0 3 356.470 2.130 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(C)C ZINC000175950332 546377826 /nfs/dbraw/zinc/37/78/26/546377826.db2.gz MRTIYYUTMMYPDS-SFHVURJKSA-N 0 3 372.444 2.451 20 30 FEEDHN COc1cc(/C=C/C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1OCC#N ZINC000177056193 546534184 /nfs/dbraw/zinc/53/41/84/546534184.db2.gz PBCHDOUFBMYINL-GBYWQYLPSA-N 0 3 355.438 2.352 20 30 FEEDHN COC(=O)[C@@]1(C)CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000177422108 546613289 /nfs/dbraw/zinc/61/32/89/546613289.db2.gz CXVYYJZUCDYJCN-SFHVURJKSA-N 0 3 361.467 2.322 20 30 FEEDHN C(=N/OCc1nnnn1-c1ccccc1)\c1ccc(N2CCOCC2)cc1 ZINC000177537764 546639972 /nfs/dbraw/zinc/63/99/72/546639972.db2.gz GQDGZFLPKDRNRK-XSFVSMFZSA-N 0 3 364.409 2.050 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(F)cn2)cc1 ZINC000481003978 561222748 /nfs/dbraw/zinc/22/27/48/561222748.db2.gz VCMSUAOOTDEWHM-NSHDSACASA-N 0 3 362.386 2.228 20 30 FEEDHN CC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000177755821 546681066 /nfs/dbraw/zinc/68/10/66/546681066.db2.gz ZGRCFZKJIIUKJL-IBGZPJMESA-N 0 3 358.461 2.266 20 30 FEEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCOC1 ZINC000178787999 546849872 /nfs/dbraw/zinc/84/98/72/546849872.db2.gz MCRVXMYHVNQMHS-HNNXBMFYSA-N 0 3 354.372 2.141 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000179689384 546999036 /nfs/dbraw/zinc/99/90/36/546999036.db2.gz QMFKNJOUIOZFFQ-INIZCTEOSA-N 0 3 357.454 2.048 20 30 FEEDHN CC(C)CN1CCO[C@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180033834 547041627 /nfs/dbraw/zinc/04/16/27/547041627.db2.gz MEYYJNGMJKPTCP-HXUWFJFHSA-N 0 3 367.497 2.405 20 30 FEEDHN Cn1cc(CNCCC(=O)NCc2cccnc2)c(-c2ccc(C#N)cc2)n1 ZINC000180140247 547057874 /nfs/dbraw/zinc/05/78/74/547057874.db2.gz JYVISFXOPFBUAW-UHFFFAOYSA-N 0 3 374.448 2.150 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H](CO)C(C)C)c1C#N ZINC000180610167 547141939 /nfs/dbraw/zinc/14/19/39/547141939.db2.gz FKBUNGVESYJWST-QGZVFWFLSA-N 0 3 358.442 2.163 20 30 FEEDHN CNS(=O)(=O)c1cccc([C@@H](C)NCCOc2ccccc2C#N)c1 ZINC000181944370 547411619 /nfs/dbraw/zinc/41/16/19/547411619.db2.gz ZWLVJPIJJDXVOW-CQSZACIVSA-N 0 3 359.451 2.196 20 30 FEEDHN CCO[C@@H]1COCC[C@H]1NCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000484649600 561302403 /nfs/dbraw/zinc/30/24/03/561302403.db2.gz ROTWGCAMKQUSIS-RTBURBONSA-N 0 3 359.470 2.334 20 30 FEEDHN CCO[C@H]1COCC[C@@H]1NCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000484649598 561302406 /nfs/dbraw/zinc/30/24/06/561302406.db2.gz ROTWGCAMKQUSIS-OALUTQOASA-N 0 3 359.470 2.334 20 30 FEEDHN CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183759156 547714605 /nfs/dbraw/zinc/71/46/05/547714605.db2.gz KTTXIBYVBHUOFX-TZIWHRDSSA-N 0 3 354.498 2.391 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184601379 547852733 /nfs/dbraw/zinc/85/27/33/547852733.db2.gz WQBARKKWFTVMGE-UHFFFAOYSA-N 0 3 365.441 2.301 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCCCN1C[C@H](C)C[C@H](C)C1 ZINC000185463035 547988867 /nfs/dbraw/zinc/98/88/67/547988867.db2.gz MYZCBBBELPWPGA-GASCZTMLSA-N 0 3 365.499 2.213 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000185883375 548052235 /nfs/dbraw/zinc/05/22/35/548052235.db2.gz PDCFCPOQHFJNFQ-IEBWSBKVSA-N 0 3 357.502 2.357 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000187152415 548251726 /nfs/dbraw/zinc/25/17/26/548251726.db2.gz YTSGWENWEXHWBP-OAQYLSRUSA-N 0 3 359.514 2.279 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ncc(CC)s1)C(C)C ZINC000190318426 548322358 /nfs/dbraw/zinc/32/23/58/548322358.db2.gz PYEBTUIIFHDOFN-HNNXBMFYSA-N 0 3 364.515 2.459 20 30 FEEDHN CCN(CC)CCN(CCOC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192614777 548367875 /nfs/dbraw/zinc/36/78/75/548367875.db2.gz YGZFFGVQJKGIFK-HXUWFJFHSA-N 0 3 372.513 2.344 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 ZINC000193203981 548382286 /nfs/dbraw/zinc/38/22/86/548382286.db2.gz VNYXEYBNUJEZFU-UHFFFAOYSA-N 0 3 370.375 2.196 20 30 FEEDHN N#CCCn1ccc(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000193842538 548398545 /nfs/dbraw/zinc/39/85/45/548398545.db2.gz DKKIGQKPFZJXCF-KRWDZBQOSA-N 0 3 352.442 2.440 20 30 FEEDHN C[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000486623508 561352690 /nfs/dbraw/zinc/35/26/90/561352690.db2.gz LXCOOYZCOOGIIE-IIBYNOLFSA-N 0 3 363.461 2.197 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](C(=O)NCCC)C1 ZINC000195316071 548621304 /nfs/dbraw/zinc/62/13/04/548621304.db2.gz GQHQAGSQOYVVLX-OALUTQOASA-N 0 3 360.498 2.393 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000245882577 549009516 /nfs/dbraw/zinc/00/95/16/549009516.db2.gz NXSJCTAZJPIYRJ-IXDOHACOSA-N 0 3 360.527 2.435 20 30 FEEDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000246198745 549076275 /nfs/dbraw/zinc/07/62/75/549076275.db2.gz PBRHPLSUSVVISJ-CABCVRRESA-N 0 3 353.875 2.459 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O ZINC000246554905 549161874 /nfs/dbraw/zinc/16/18/74/549161874.db2.gz YPYHNTUFIGNXRQ-FUHWJXTLSA-N 0 3 354.454 2.024 20 30 FEEDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000248544745 549454752 /nfs/dbraw/zinc/45/47/52/549454752.db2.gz IYIBUQSGIWFPQX-ZFWWWQNUSA-N 0 3 353.875 2.316 20 30 FEEDHN C#CCN1CCC(C(=O)NCCCOc2cccc3cccnc32)CC1 ZINC000264127608 549982913 /nfs/dbraw/zinc/98/29/13/549982913.db2.gz IMLDYKOTSSNSEV-UHFFFAOYSA-N 0 3 351.450 2.465 20 30 FEEDHN COCCN1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000265697243 550013409 /nfs/dbraw/zinc/01/34/09/550013409.db2.gz HBPXBGUVQJIJPY-MRXNPFEDSA-N 0 3 369.387 2.077 20 30 FEEDHN N#Cc1ccc(CNCC2CCN(S(=O)(=O)C(F)F)CC2)c(F)c1 ZINC000269434701 550195545 /nfs/dbraw/zinc/19/55/45/550195545.db2.gz QRXCVTSTPXIVND-UHFFFAOYSA-N 0 3 361.389 2.051 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1N(C)C ZINC000270639245 550291707 /nfs/dbraw/zinc/29/17/07/550291707.db2.gz ITWQELBXBHOJRA-CABCVRRESA-N 0 3 352.891 2.128 20 30 FEEDHN C#CCCN1CCN(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000272004600 550415825 /nfs/dbraw/zinc/41/58/25/550415825.db2.gz INOWDCXHOLROAN-LPHOPBHVSA-N 0 3 350.890 2.419 20 30 FEEDHN Cc1cc(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)nn1CCC#N ZINC000272014344 550416355 /nfs/dbraw/zinc/41/63/55/550416355.db2.gz BFPHMMZHMNQQBX-UHFFFAOYSA-N 0 3 366.469 2.326 20 30 FEEDHN Cc1cc(NC(=O)NCc2ccc(OCCN(C)C)cc2)nn1CCC#N ZINC000272078219 550421060 /nfs/dbraw/zinc/42/10/60/550421060.db2.gz LFDSNDINFQYHTR-UHFFFAOYSA-N 0 3 370.457 2.367 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1CCc2cc(Br)ccc2C1 ZINC000272797223 550471355 /nfs/dbraw/zinc/47/13/55/550471355.db2.gz AVCJROIXMNZPLX-HNNXBMFYSA-N 0 3 358.301 2.497 20 30 FEEDHN C#CCC(C)(C)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000274354697 550534347 /nfs/dbraw/zinc/53/43/47/550534347.db2.gz QBMBFVUXHRKGDF-UHFFFAOYSA-N 0 3 357.498 2.325 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000277582456 550687528 /nfs/dbraw/zinc/68/75/28/550687528.db2.gz OOVUDJBSNZKXLD-UNMCSNQZSA-N 0 3 372.484 2.361 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(=O)N2CCCc3ccccc32)cc1 ZINC000279262318 550871018 /nfs/dbraw/zinc/87/10/18/550871018.db2.gz IHZHHMYCEIZPBS-IBGZPJMESA-N 0 3 372.428 2.336 20 30 FEEDHN CCO[C@@H]1C[C@@H](NCc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1OC ZINC000279331736 550878368 /nfs/dbraw/zinc/87/83/68/550878368.db2.gz CZOOGSREGTUZPU-LMMKCTJWSA-N 0 3 355.442 2.141 20 30 FEEDHN COC(=O)C[C@@H]1CCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279364487 550881901 /nfs/dbraw/zinc/88/19/01/550881901.db2.gz HWYQRWVFRJPHOL-KRWDZBQOSA-N 0 3 353.426 2.386 20 30 FEEDHN COC(=O)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000279925969 550943758 /nfs/dbraw/zinc/94/37/58/550943758.db2.gz GEKBCDYFNODRAM-QGZVFWFLSA-N 0 3 353.422 2.480 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 ZINC000279964438 550947747 /nfs/dbraw/zinc/94/77/47/550947747.db2.gz HHCBWAJORNBGBN-MSOLQXFVSA-N 0 3 353.422 2.433 20 30 FEEDHN Cc1cc(N2CCC(NC(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000281197287 551073098 /nfs/dbraw/zinc/07/30/98/551073098.db2.gz LWKWAFHGAIKOBQ-QGZVFWFLSA-N 0 3 362.437 2.057 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc(C#N)ccn3)CC2)C[C@H](C)O1 ZINC000283761562 551423432 /nfs/dbraw/zinc/42/34/32/551423432.db2.gz QCKGFJAINSSUCS-IYBDPMFKSA-N 0 3 356.470 2.305 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000284412894 551544094 /nfs/dbraw/zinc/54/40/94/551544094.db2.gz XJUMOGKDKLYUJG-QRQLOZEOSA-N 0 3 364.440 2.354 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000284562449 551577617 /nfs/dbraw/zinc/57/76/17/551577617.db2.gz DLWAMBZUKWROKD-LJQANCHMSA-N 0 3 373.497 2.275 20 30 FEEDHN CN1CCC(Oc2ccc(CNC(=O)c3ccnc(C#N)c3)cc2)CC1 ZINC000284665656 551602690 /nfs/dbraw/zinc/60/26/90/551602690.db2.gz WZRIAWCRCGJBMJ-UHFFFAOYSA-N 0 3 350.422 2.356 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000498489229 561525740 /nfs/dbraw/zinc/52/57/40/561525740.db2.gz WUQCJGAEZFPKGI-UHOSZYNNSA-N 0 3 370.497 2.443 20 30 FEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000284801100 551636911 /nfs/dbraw/zinc/63/69/11/551636911.db2.gz KMOIQCLPERTUHN-MRXNPFEDSA-N 0 3 356.430 2.230 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)C(C)C ZINC000284880965 551657593 /nfs/dbraw/zinc/65/75/93/551657593.db2.gz VTMCTQRFPZMOEC-AWEZNQCLSA-N 0 3 364.877 2.488 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCc3c2cccc3F)CC1 ZINC000284947921 551674408 /nfs/dbraw/zinc/67/44/08/551674408.db2.gz JSGYZLWKWBIITD-GOSISDBHSA-N 0 3 359.445 2.086 20 30 FEEDHN N#CC1(CS(=O)(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC000285425842 551754838 /nfs/dbraw/zinc/75/48/38/551754838.db2.gz WCOMJFVYKLZFGF-IBGZPJMESA-N 0 3 359.495 2.218 20 30 FEEDHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCn1cnc(C#N)n1 ZINC000285431839 551755986 /nfs/dbraw/zinc/75/59/86/551755986.db2.gz HNTROJPIROIBBL-UHFFFAOYSA-N 0 3 357.368 2.020 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)c2ccccc2C)CC1 ZINC000285744002 551804326 /nfs/dbraw/zinc/80/43/26/551804326.db2.gz XVRZIOKTOVAMQQ-UHFFFAOYSA-N 0 3 357.498 2.155 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000286330772 551875128 /nfs/dbraw/zinc/87/51/28/551875128.db2.gz JTONMBLRKFXGLB-MRXNPFEDSA-N 0 3 356.445 2.290 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)CC1 ZINC000286422454 551884625 /nfs/dbraw/zinc/88/46/25/551884625.db2.gz FWZJCZCMZBGQLU-AEFFLSMTSA-N 0 3 355.482 2.158 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(NCCC)cc2)CC1 ZINC000286669880 551912812 /nfs/dbraw/zinc/91/28/12/551912812.db2.gz OGFWBPSEIVYBGO-UHFFFAOYSA-N 0 3 372.513 2.281 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)CC(C)(C)c2ccc(C)cc2)CC1 ZINC000286695545 551915724 /nfs/dbraw/zinc/91/57/24/551915724.db2.gz PRLPLFPLVOGMHY-UHFFFAOYSA-N 0 3 371.525 2.498 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCc2c(C)cccc2C)CC1 ZINC000286754596 551922516 /nfs/dbraw/zinc/92/25/16/551922516.db2.gz SYMQTOVATRLWGL-UHFFFAOYSA-N 0 3 357.498 2.119 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)Cc2ccc(C)s2)CC1 ZINC000286828936 551930592 /nfs/dbraw/zinc/93/05/92/551930592.db2.gz XBYBFVVZCTVJMN-AWEZNQCLSA-N 0 3 363.527 2.260 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(Cc2cccc(F)c2)C2CC2)CC1 ZINC000286842908 551932481 /nfs/dbraw/zinc/93/24/81/551932481.db2.gz YGMZBJVVXKMELZ-UHFFFAOYSA-N 0 3 359.445 2.083 20 30 FEEDHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000287209940 551976490 /nfs/dbraw/zinc/97/64/90/551976490.db2.gz DYCQUJFVWYJSKM-INIZCTEOSA-N 0 3 370.497 2.143 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000287343214 551991913 /nfs/dbraw/zinc/99/19/13/551991913.db2.gz PMKYOADXLMDGED-KCXAZCMYSA-N 0 3 363.439 2.158 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000288144835 552099239 /nfs/dbraw/zinc/09/92/39/552099239.db2.gz LRMKEMOKXXSIFF-BLLLJJGKSA-N 0 3 360.845 2.235 20 30 FEEDHN C=CCN1CC[C@H](N[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)C1=O ZINC000499601823 561554336 /nfs/dbraw/zinc/55/43/36/561554336.db2.gz FSCOHBUYDIVTFH-LPHOPBHVSA-N 0 3 374.504 2.405 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1 ZINC000288346643 552137953 /nfs/dbraw/zinc/13/79/53/552137953.db2.gz YYONTQYEPMXCFV-QAPCUYQASA-N 0 3 357.454 2.275 20 30 FEEDHN Cc1onc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000499846598 561559695 /nfs/dbraw/zinc/55/96/95/561559695.db2.gz JZRJZOHXBOGZPA-RDTXWAMCSA-N 0 3 352.438 2.424 20 30 FEEDHN COCCOCCN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000289016718 552253172 /nfs/dbraw/zinc/25/31/72/552253172.db2.gz NOZDUCYTYPWPMA-UHFFFAOYSA-N 0 3 351.472 2.032 20 30 FEEDHN COc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1OCCCC#N ZINC000290133649 552432579 /nfs/dbraw/zinc/43/25/79/552432579.db2.gz NFKBFZMJMBPYAH-INIZCTEOSA-N 0 3 366.483 2.292 20 30 FEEDHN CN(C)Cc1ccc(C(N)=NOCc2cc(Br)no2)cc1 ZINC000291852873 552668313 /nfs/dbraw/zinc/66/83/13/552668313.db2.gz HXNQTSJNLGPJND-UHFFFAOYSA-N 0 3 353.220 2.336 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](NCCC(=O)Nc1ccc(C#N)cc1)C(N)=O ZINC000292046161 552687953 /nfs/dbraw/zinc/68/79/53/552687953.db2.gz AVMCENFWQDFFMT-KUHUBIRLSA-N 0 3 350.422 2.134 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000293342673 552813484 /nfs/dbraw/zinc/81/34/84/552813484.db2.gz KFVKTZOPUUDPFK-UHFFFAOYSA-N 0 3 370.478 2.184 20 30 FEEDHN CCN(Cc1cc(C#N)n(C)c1)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000293722313 552850536 /nfs/dbraw/zinc/85/05/36/552850536.db2.gz UBKPYSCXCZUWKP-FQEVSTJZSA-N 0 3 371.481 2.347 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(F)cc1I ZINC000293887555 552865295 /nfs/dbraw/zinc/86/52/95/552865295.db2.gz DEKPSXFHIQUWAJ-UHFFFAOYSA-N 0 3 374.197 2.115 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000293933973 552869136 /nfs/dbraw/zinc/86/91/36/552869136.db2.gz IFALMWIKUKJOQO-UHFFFAOYSA-N 0 3 369.465 2.484 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000293944903 552869743 /nfs/dbraw/zinc/86/97/43/552869743.db2.gz JLEVQSXZYMBAKW-UHFFFAOYSA-N 0 3 351.406 2.415 20 30 FEEDHN C#CCN(C)CCCNC(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000294026216 552876198 /nfs/dbraw/zinc/87/61/98/552876198.db2.gz RCTPNGWBTHCABR-UHFFFAOYSA-N 0 3 371.510 2.048 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cscc1C#N ZINC000501816413 561606058 /nfs/dbraw/zinc/60/60/58/561606058.db2.gz IFEDBNREEDIJCA-LJQANCHMSA-N 0 3 355.463 2.329 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295115688 552960397 /nfs/dbraw/zinc/96/03/97/552960397.db2.gz JBMGDGXAHMEZQO-MJGOQNOKSA-N 0 3 374.529 2.429 20 30 FEEDHN COCCCN(C)CCNC(=O)c1ccc(Br)cc1C#N ZINC000295303322 552984136 /nfs/dbraw/zinc/98/41/36/552984136.db2.gz NPOFXFRRVYTMOI-UHFFFAOYSA-N 0 3 354.248 2.019 20 30 FEEDHN N#Cc1cc(Br)cnc1N1CCC(CN2CCOCC2)CC1 ZINC000295550199 553024640 /nfs/dbraw/zinc/02/46/40/553024640.db2.gz PHJMHMWLWGWSOS-UHFFFAOYSA-N 0 3 365.275 2.264 20 30 FEEDHN CC[C@@H](C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 ZINC000295971247 553082907 /nfs/dbraw/zinc/08/29/07/553082907.db2.gz NXUGLXBQQPLAPI-OAHLLOKOSA-N 0 3 354.458 2.186 20 30 FEEDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000296159677 553114370 /nfs/dbraw/zinc/11/43/70/553114370.db2.gz UMKGZTQMTWAKAA-DOPJRALCSA-N 0 3 367.453 2.332 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000298226333 553400531 /nfs/dbraw/zinc/40/05/31/553400531.db2.gz AQWBNGHQQPYEER-LJQANCHMSA-N 0 3 365.433 2.061 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)CC1 ZINC000299003532 553502064 /nfs/dbraw/zinc/50/20/64/553502064.db2.gz ACHFMYSPGZCTGE-GOSISDBHSA-N 0 3 354.429 2.110 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000299136666 553520206 /nfs/dbraw/zinc/52/02/06/553520206.db2.gz HCDOULCYIZXPPN-UHFFFAOYSA-N 0 3 367.493 2.274 20 30 FEEDHN C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)N1CCC[C@@H](C)C1 ZINC000328680034 553806382 /nfs/dbraw/zinc/80/63/82/553806382.db2.gz NJBMHEBJEGCZFM-LMMKCTJWSA-N 0 3 372.513 2.412 20 30 FEEDHN CN1C(=O)CN(CC(=O)NC2CCN(C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000328704037 553809639 /nfs/dbraw/zinc/80/96/39/553809639.db2.gz OOBRWBLXYSABBE-HXUWFJFHSA-N 0 3 356.470 2.043 20 30 FEEDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCN(C2CC2)C(=O)C1 ZINC000328726372 553813132 /nfs/dbraw/zinc/81/31/32/553813132.db2.gz UPCDRVMGEBTHCD-GOSISDBHSA-N 0 3 356.470 2.044 20 30 FEEDHN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)NC[C@@H]1CCCCN1C1CC1 ZINC000328745091 553815764 /nfs/dbraw/zinc/81/57/64/553815764.db2.gz KSQMQVVIZDIHQG-RYQLBKOJSA-N 0 3 365.518 2.075 20 30 FEEDHN CN1CCCN(C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC000328783437 553821738 /nfs/dbraw/zinc/82/17/38/553821738.db2.gz NNIUMTCBMHRHKY-QGZVFWFLSA-N 0 3 361.490 2.022 20 30 FEEDHN CN1CCCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328783437 553821740 /nfs/dbraw/zinc/82/17/40/553821740.db2.gz NNIUMTCBMHRHKY-QGZVFWFLSA-N 0 3 361.490 2.022 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)C1 ZINC000328920795 553844871 /nfs/dbraw/zinc/84/48/71/553844871.db2.gz BYSZDKXLNYNUEX-AYBZRNKSSA-N 0 3 359.470 2.243 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000328938661 553849384 /nfs/dbraw/zinc/84/93/84/553849384.db2.gz DMLMJBNKJDSMDJ-UWVAXJGDSA-N 0 3 368.437 2.360 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)C1 ZINC000328999563 553861984 /nfs/dbraw/zinc/86/19/84/553861984.db2.gz XBWUFSGIAXGSTD-ZRGWGRIASA-N 0 3 364.490 2.380 20 30 FEEDHN CO[C@H]1C[C@@H](CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)N(C)C1 ZINC000329038422 553868795 /nfs/dbraw/zinc/86/87/95/553868795.db2.gz RYCKTEMHIXAWCY-KBMXLJTQSA-N 0 3 354.495 2.229 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000329112905 553882688 /nfs/dbraw/zinc/88/26/88/553882688.db2.gz HGUTXWQUFCGFIY-RMJJICAUSA-N 0 3 367.534 2.417 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000329144162 553888527 /nfs/dbraw/zinc/88/85/27/553888527.db2.gz WCKBLQNCIHHLQK-UONOGXRCSA-N 0 3 371.528 2.342 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H](c1nc(C)no1)C1CCOCC1 ZINC000329148929 553889617 /nfs/dbraw/zinc/88/96/17/553889617.db2.gz YNTOEJKCSKXJOS-HZPDHXFCSA-N 0 3 365.478 2.224 20 30 FEEDHN C[C@@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CCCCCC1 ZINC000329273435 553914713 /nfs/dbraw/zinc/91/47/13/553914713.db2.gz JXIVUEOHSYKVJV-LSDHHAIUSA-N 0 3 357.520 2.164 20 30 FEEDHN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000329310403 553922730 /nfs/dbraw/zinc/92/27/30/553922730.db2.gz QWDYKMSFSODEQK-ZDUSSCGKSA-N 0 3 355.442 2.308 20 30 FEEDHN Cc1nc([C@@H]2CCCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000329427963 553944273 /nfs/dbraw/zinc/94/42/73/553944273.db2.gz JKFHRPQIKCKKPM-SJLPKXTDSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1n[nH]c([C@@H]2CCCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000329427963 553944274 /nfs/dbraw/zinc/94/42/74/553944274.db2.gz JKFHRPQIKCKKPM-SJLPKXTDSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1nnc([C@@H]2CCCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427963 553944277 /nfs/dbraw/zinc/94/42/77/553944277.db2.gz JKFHRPQIKCKKPM-SJLPKXTDSA-N 0 3 364.453 2.360 20 30 FEEDHN CCN1CC[C@H]2OCCN(C(=O)C[C@H](C)NC(=O)C3CCCC3)[C@H]2C1 ZINC000329530812 553962701 /nfs/dbraw/zinc/96/27/01/553962701.db2.gz JBBZNITWZIJALI-BHYGNILZSA-N 0 3 351.491 2.233 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)[C@@H]2C1 ZINC000329537681 553964038 /nfs/dbraw/zinc/96/40/38/553964038.db2.gz MGPJJVRQCDUNDX-BZUAXINKSA-N 0 3 359.518 2.435 20 30 FEEDHN Cc1cccc2c1OC[C@H](NC(=O)N1CCN(CC3CCOCC3)CC1)C2 ZINC000329628943 553979827 /nfs/dbraw/zinc/97/98/27/553979827.db2.gz QBYFZEJDMQDIRG-LJQANCHMSA-N 0 3 373.497 2.257 20 30 FEEDHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000329667381 553984945 /nfs/dbraw/zinc/98/49/45/553984945.db2.gz RMNFQDHUSOTWJK-BRWVUGGUSA-N 0 3 359.470 2.342 20 30 FEEDHN Cc1ncc(CN2CCN(C(=O)N[C@H](C)C3=CCN(C)CC3)CC2)s1 ZINC000329713982 553994310 /nfs/dbraw/zinc/99/43/10/553994310.db2.gz SHTYIPDVQMENDK-CQSZACIVSA-N 0 3 363.531 2.134 20 30 FEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000329758191 554001064 /nfs/dbraw/zinc/00/10/64/554001064.db2.gz ZVLMWEYXEZFJDL-IAGOWNOFSA-N 0 3 372.513 2.404 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000329791665 554006782 /nfs/dbraw/zinc/00/67/82/554006782.db2.gz DWYQBYLQMWJAKO-OAGGEKHMSA-N 0 3 374.460 2.404 20 30 FEEDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329806725 554009868 /nfs/dbraw/zinc/00/98/68/554009868.db2.gz BEIMUKFDPJRSDE-RCCFBDPRSA-N 0 3 356.470 2.473 20 30 FEEDHN CN1CCC[C@H](CNC(=O)NC[C@@H]2COCCO2)[C@H]1c1cccs1 ZINC000329813342 554010755 /nfs/dbraw/zinc/01/07/55/554010755.db2.gz NKVVLGLYDNHFRZ-FMKPAKJESA-N 0 3 353.488 2.050 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000329815601 554011192 /nfs/dbraw/zinc/01/11/92/554011192.db2.gz VIIJLVDIGVBVHA-AEFFLSMTSA-N 0 3 364.534 2.008 20 30 FEEDHN Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000329821095 554012370 /nfs/dbraw/zinc/01/23/70/554012370.db2.gz GRAOPPDYFPCVSA-MSOLQXFVSA-N 0 3 368.481 2.216 20 30 FEEDHN Cc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)c(-n2cc(Cl)cn2)n1 ZINC000329837528 554015860 /nfs/dbraw/zinc/01/58/60/554015860.db2.gz MWGMFGFQADZGJK-HNNXBMFYSA-N 0 3 374.876 2.469 20 30 FEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000329860089 554020307 /nfs/dbraw/zinc/02/03/07/554020307.db2.gz PEWJIPCFZHSUTJ-HUUCEWRRSA-N 0 3 365.499 2.382 20 30 FEEDHN CC(C)[C@H](C(=O)NCCN1CCCC(C)(C)C1)N1CCCS1(=O)=O ZINC000329891961 554025531 /nfs/dbraw/zinc/02/55/31/554025531.db2.gz IPNGEINRTCUHNU-OAHLLOKOSA-N 0 3 359.536 2.125 20 30 FEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000329934829 554035069 /nfs/dbraw/zinc/03/50/69/554035069.db2.gz CDYUUEYHPMVKLN-RBUKOAKNSA-N 0 3 371.481 2.387 20 30 FEEDHN CC[C@H](CNC(=O)NC[C@@]1(O)CCSC1)N1CCc2ccccc2C1 ZINC000330011859 554049225 /nfs/dbraw/zinc/04/92/25/554049225.db2.gz JPCPUPIXLJSNFJ-MJGOQNOKSA-N 0 3 363.527 2.195 20 30 FEEDHN CN1CCC(Nc2ccccc2NC(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC000330051327 554055607 /nfs/dbraw/zinc/05/56/07/554055607.db2.gz NHERYQHCIFRLQA-OAHLLOKOSA-N 0 3 370.457 2.382 20 30 FEEDHN Cn1nccc1N1CCC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1=O ZINC000330056736 554056576 /nfs/dbraw/zinc/05/65/76/554056576.db2.gz WIPRTOXFIJHNMZ-JKSUJKDBSA-N 0 3 359.474 2.279 20 30 FEEDHN CC(C(=O)NCC(C)(C)N1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000330068735 554058583 /nfs/dbraw/zinc/05/85/83/554058583.db2.gz GOVBIYKFMMMFRS-HUUCEWRRSA-N 0 3 374.547 2.436 20 30 FEEDHN Cc1nc(CCNC(=O)C(C)S(=O)(=O)C2CCOCC2)sc1C ZINC000330070775 554058959 /nfs/dbraw/zinc/05/89/59/554058959.db2.gz IJCSXLSACOXWTA-GFCCVEGCSA-N 0 3 360.501 2.241 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2c(C)nn(C)c2C)C[C@H]1N1CCCC1 ZINC000330098586 554064056 /nfs/dbraw/zinc/06/40/56/554064056.db2.gz CBYOBWYBVXXQMF-CABCVRRESA-N 0 3 351.520 2.137 20 30 FEEDHN C[C@@H](C(=O)NC1CCN(C2CCCC2)CC1)S(=O)(=O)C1CCOCC1 ZINC000330100372 554064362 /nfs/dbraw/zinc/06/43/62/554064362.db2.gz DLGYBKOZLKIIPS-AWEZNQCLSA-N 0 3 372.531 2.332 20 30 FEEDHN O=C(NC1CCN(C(=O)C2CC2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000330155450 554075248 /nfs/dbraw/zinc/07/52/48/554075248.db2.gz OAZPNHSSYYZQEX-UHFFFAOYSA-N 0 3 362.518 2.252 20 30 FEEDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000330170060 554077414 /nfs/dbraw/zinc/07/74/14/554077414.db2.gz DLIYZGRBKMTGJG-CRNXPOROSA-N 0 3 362.478 2.049 20 30 FEEDHN CO[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C[C@@H]1OC ZINC000330170929 554077763 /nfs/dbraw/zinc/07/77/63/554077763.db2.gz DZOJLBDERQTDOK-LJIGWXMPSA-N 0 3 367.515 2.391 20 30 FEEDHN Cc1cc(N2CCC(NC(=O)N[C@@H]3CCN(C)[C@H](C)C3)CC2)nc(C)n1 ZINC000330199624 554083851 /nfs/dbraw/zinc/08/38/51/554083851.db2.gz VREHNNFISZFDOM-RHSMWYFYSA-N 0 3 360.506 2.049 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)c(Cl)c1 ZINC000330229295 554089318 /nfs/dbraw/zinc/08/93/18/554089318.db2.gz QBPUSOGLFBMZCU-SFHVURJKSA-N 0 3 358.873 2.487 20 30 FEEDHN CCC1(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCOCC1 ZINC000330240932 554091554 /nfs/dbraw/zinc/09/15/54/554091554.db2.gz FLHCSYPAFOHQEP-INIZCTEOSA-N 0 3 353.507 2.292 20 30 FEEDHN CC(=O)N1CC[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000330442816 554122198 /nfs/dbraw/zinc/12/21/98/554122198.db2.gz PSDUBYOGFCBGQA-JKSUJKDBSA-N 0 3 352.866 2.067 20 30 FEEDHN COc1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)c(Br)c1 ZINC000330661437 554152660 /nfs/dbraw/zinc/15/26/60/554152660.db2.gz VPAUKQIJPRBYOU-GFCCVEGCSA-N 0 3 372.263 2.266 20 30 FEEDHN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330914960 554188053 /nfs/dbraw/zinc/18/80/53/554188053.db2.gz TVXSCQAJOHTQBO-NXOAAHMSSA-N 0 3 352.523 2.352 20 30 FEEDHN CC(C)NC(=O)NC1(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CCCCC1 ZINC000331009129 554200419 /nfs/dbraw/zinc/20/04/19/554200419.db2.gz RAQVZNBBZWFUBJ-JKSUJKDBSA-N 0 3 352.523 2.446 20 30 FEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000331350658 554249949 /nfs/dbraw/zinc/24/99/49/554249949.db2.gz YMTNLAODYDEFBO-GHMZBOCLSA-N 0 3 370.393 2.214 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000508921408 561778409 /nfs/dbraw/zinc/77/84/09/561778409.db2.gz YSDKRELTUOWEJC-QGZVFWFLSA-N 0 3 374.533 2.447 20 30 FEEDHN CCN(CC)[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)Cc1ccccc1 ZINC000509420926 561798887 /nfs/dbraw/zinc/79/88/87/561798887.db2.gz YSURTONXBIHKAG-AEFFLSMTSA-N 0 3 366.531 2.008 20 30 FEEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000510097293 561824609 /nfs/dbraw/zinc/82/46/09/561824609.db2.gz ATPPGNBAQWZATN-QGZVFWFLSA-N 0 3 366.531 2.309 20 30 FEEDHN CC(C#N)C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000510384645 561833099 /nfs/dbraw/zinc/83/30/99/561833099.db2.gz NMXIBCMVQLOXAW-GFCCVEGCSA-N 0 3 359.817 2.194 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000510385158 561833106 /nfs/dbraw/zinc/83/31/06/561833106.db2.gz TXOPQQZSHYEEAA-ZDUSSCGKSA-N 0 3 369.918 2.326 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(C4CC4)C3)C2)c(F)c1 ZINC000332839533 554527767 /nfs/dbraw/zinc/52/77/67/554527767.db2.gz PTOYSHXUCVRZAK-CVEARBPZSA-N 0 3 371.460 2.202 20 30 FEEDHN C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(F)(C#N)CC1 ZINC000510905666 561850201 /nfs/dbraw/zinc/85/02/01/561850201.db2.gz RJJYUEQUNWRPEO-QGZVFWFLSA-N 0 3 372.488 2.483 20 30 FEEDHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC(F)(C#N)CC2)CC1 ZINC000510930768 561850966 /nfs/dbraw/zinc/85/09/66/561850966.db2.gz AKEYYYZMRKXXBS-UHFFFAOYSA-N 0 3 372.488 2.357 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000348586305 554689757 /nfs/dbraw/zinc/68/97/57/554689757.db2.gz KYVVZHSUYTTYNT-OGWHTMIXSA-N 0 3 371.481 2.266 20 30 FEEDHN CN1CCCN(c2ccc(-c3noc(-c4ccc(C#N)o4)n3)cn2)CC1 ZINC000350514246 554794257 /nfs/dbraw/zinc/79/42/57/554794257.db2.gz SYNLQDJVACUNJD-UHFFFAOYSA-N 0 3 350.382 2.405 20 30 FEEDHN C=CCNC(=O)Cc1noc(-c2ccc(CN3CCSCC3)cc2)n1 ZINC000350703948 554808581 /nfs/dbraw/zinc/80/85/81/554808581.db2.gz DLUNQQHZMYRKAQ-UHFFFAOYSA-N 0 3 358.467 2.130 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000360955876 554896671 /nfs/dbraw/zinc/89/66/71/554896671.db2.gz BOFQUUKPBFMPOW-INIZCTEOSA-N 0 3 357.454 2.039 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(C)C ZINC000362473549 554974582 /nfs/dbraw/zinc/97/45/82/554974582.db2.gz NNOGFJQRXWZUDD-MSOLQXFVSA-N 0 3 362.518 2.138 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000363065577 555022178 /nfs/dbraw/zinc/02/21/78/555022178.db2.gz CFPYSPXKJYTCFH-UHFFFAOYSA-N 0 3 358.829 2.351 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)c1 ZINC000363250078 555063460 /nfs/dbraw/zinc/06/34/60/555063460.db2.gz ISJXMYASEGCKLY-CRAIPNDOSA-N 0 3 367.474 2.477 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nnc3n2CCCCC3)CC1 ZINC000363392184 555093555 /nfs/dbraw/zinc/09/35/55/555093555.db2.gz DOCJAZLMKAWFJO-OAHLLOKOSA-N 0 3 360.506 2.405 20 30 FEEDHN CN1CCC[C@@H](N2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C1 ZINC000363539178 555131330 /nfs/dbraw/zinc/13/13/30/555131330.db2.gz HEFAPFAKMDIPOZ-LJQANCHMSA-N 0 3 372.538 2.030 20 30 FEEDHN C=CCN(C(=O)NCCc1cnn(C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363825834 555194481 /nfs/dbraw/zinc/19/44/81/555194481.db2.gz PNVVRHXNCFMXSN-HXUWFJFHSA-N 0 3 367.497 2.435 20 30 FEEDHN CCCN1CCN(C2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000364056408 555242007 /nfs/dbraw/zinc/24/20/07/555242007.db2.gz MYZKJOMNGLDADQ-UHFFFAOYSA-N 0 3 357.458 2.463 20 30 FEEDHN C=CCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)cc1OC ZINC000364660635 555365703 /nfs/dbraw/zinc/36/57/03/555365703.db2.gz RGOTYCSYZKRPMZ-UZLBHIALSA-N 0 3 370.453 2.103 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000364922862 555439172 /nfs/dbraw/zinc/43/91/72/555439172.db2.gz WOCOFWZMYZIVDB-MOPGFXCFSA-N 0 3 366.550 2.444 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000365186898 555504882 /nfs/dbraw/zinc/50/48/82/555504882.db2.gz KGYQXOIXDLEYAO-UHFFFAOYSA-N 0 3 367.497 2.430 20 30 FEEDHN CC(C)(CCC#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000513112932 561925584 /nfs/dbraw/zinc/92/55/84/561925584.db2.gz HMNCFNBFBVRWLY-MOPGFXCFSA-N 0 3 372.513 2.499 20 30 FEEDHN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000365944423 555707664 /nfs/dbraw/zinc/70/76/64/555707664.db2.gz ZALINRBBLHFXPS-INIZCTEOSA-N 0 3 358.417 2.113 20 30 FEEDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc(C#N)cc1F ZINC000513546007 561942374 /nfs/dbraw/zinc/94/23/74/561942374.db2.gz VBAJDCRTJVWQAM-FQEVSTJZSA-N 0 3 368.456 2.076 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000366702567 555913090 /nfs/dbraw/zinc/91/30/90/555913090.db2.gz OMRQZNRXTPDAMU-RDGPPVDQSA-N 0 3 358.486 2.355 20 30 FEEDHN N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1CCCN1Cc1ccccc1 ZINC000367418147 556043418 /nfs/dbraw/zinc/04/34/18/556043418.db2.gz JTXRCRKALKQEJV-QGZVFWFLSA-N 0 3 370.478 2.282 20 30 FEEDHN CC(C)N1CC[C@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000514993738 561990571 /nfs/dbraw/zinc/99/05/71/561990571.db2.gz KBVBZDGXYZMCPQ-SFHVURJKSA-N 0 3 366.469 2.097 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000368724129 556397993 /nfs/dbraw/zinc/39/79/93/556397993.db2.gz HZNUJGSCGZURHH-JXFKEZNVSA-N 0 3 363.502 2.400 20 30 FEEDHN Cc1nc(CO[C@@H]2CCN(C[C@H](O)COc3ccc(C#N)cc3)C2)cs1 ZINC000368998697 556472405 /nfs/dbraw/zinc/47/24/05/556472405.db2.gz BJSFVBGORLQORR-PKOBYXMFSA-N 0 3 373.478 2.354 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2)CC1 ZINC000369206742 556535667 /nfs/dbraw/zinc/53/56/67/556535667.db2.gz WKNVOQQPBREVDL-IBGZPJMESA-N 0 3 371.481 2.066 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000369274013 556560196 /nfs/dbraw/zinc/56/01/96/556560196.db2.gz LRRJZCXRXSTGKK-GOSISDBHSA-N 0 3 354.454 2.364 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000369303629 556569300 /nfs/dbraw/zinc/56/93/00/556569300.db2.gz QSLJMLVEAQQROR-INIZCTEOSA-N 0 3 371.485 2.140 20 30 FEEDHN CN1CCN(C[C@H]2CCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000369310799 556571215 /nfs/dbraw/zinc/57/12/15/556571215.db2.gz SPCZMKULPMGOBH-AQKVLALTSA-N 0 3 352.482 2.057 20 30 FEEDHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(n3cnc(C#N)n3)CC2)c1C ZINC000369388633 556587305 /nfs/dbraw/zinc/58/73/05/556587305.db2.gz HCVXPUUNMYHDED-SFHVURJKSA-N 0 3 369.469 2.152 20 30 FEEDHN C[C@@H](CCO)C1(CNCCS(=O)(=O)c2cccc(C#N)c2)CCC1 ZINC000516291098 562038888 /nfs/dbraw/zinc/03/88/88/562038888.db2.gz IJWGLCIWRCZBPZ-HNNXBMFYSA-N 0 3 350.484 2.110 20 30 FEEDHN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000369721992 556677756 /nfs/dbraw/zinc/67/77/56/556677756.db2.gz IADOOJDUVWQIMB-GUDVDZBRSA-N 0 3 367.449 2.019 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000369757896 556686643 /nfs/dbraw/zinc/68/66/43/556686643.db2.gz QLGMUUVKVTZENS-IBGZPJMESA-N 0 3 367.493 2.143 20 30 FEEDHN N#Cc1ccc(-c2nnc(CN3CCCN(C4CCOCC4)CC3)o2)cc1 ZINC000369803420 556699477 /nfs/dbraw/zinc/69/94/77/556699477.db2.gz LSOWCQIIWVFBJM-UHFFFAOYSA-N 0 3 367.453 2.295 20 30 FEEDHN COC(=O)c1cccc(CN2CCN(C3CCOCC3)C[C@H]2C)c1C#N ZINC000516526309 562046302 /nfs/dbraw/zinc/04/63/02/562046302.db2.gz UWUWGUQERQFASP-OAHLLOKOSA-N 0 3 357.454 2.030 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000370197634 556808417 /nfs/dbraw/zinc/80/84/17/556808417.db2.gz OBWVLWWRIBXLTD-IBGZPJMESA-N 0 3 367.493 2.029 20 30 FEEDHN C=CCOc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1OC ZINC000370487299 556887760 /nfs/dbraw/zinc/88/77/60/556887760.db2.gz IHHHSRDQWSOGAB-KRWDZBQOSA-N 0 3 360.454 2.243 20 30 FEEDHN Cc1nnc([C@@H]2CC23CCN(C[C@H](O)COc2ccc(C#N)cc2)CC3)o1 ZINC000370812451 556975980 /nfs/dbraw/zinc/97/59/80/556975980.db2.gz VVMOWCGRRCSRMQ-WMZOPIPTSA-N 0 3 368.437 2.259 20 30 FEEDHN C#CCNC(=O)[C@H](C)N(C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000371248652 557119197 /nfs/dbraw/zinc/11/91/97/557119197.db2.gz DLUZBEMBVIIVMQ-INIZCTEOSA-N 0 3 356.470 2.000 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCNC(=O)CC2CCCC2)CC1 ZINC000517320897 562085032 /nfs/dbraw/zinc/08/50/32/562085032.db2.gz PBHXVSVEVASYEU-UHFFFAOYSA-N 0 3 350.507 2.023 20 30 FEEDHN C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000371353503 557157723 /nfs/dbraw/zinc/15/77/23/557157723.db2.gz IZCDGGGBDVNLFJ-AJWBFMOXSA-N 0 3 352.482 2.056 20 30 FEEDHN CO[C@@H]1COC[C@@H]1NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000517707709 562095804 /nfs/dbraw/zinc/09/58/04/562095804.db2.gz FWGGOMUXXWWCKB-BYCMXARLSA-N 0 3 363.483 2.077 20 30 FEEDHN N#Cc1ccc(F)c(CNC(=O)c2cnn(CCN3CCCCC3)c2)c1 ZINC000371790020 557294158 /nfs/dbraw/zinc/29/41/58/557294158.db2.gz KVDMQTZYTKHIHS-UHFFFAOYSA-N 0 3 355.417 2.310 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC2(CCOC2=O)CC1)C(C)C ZINC000371882374 557319322 /nfs/dbraw/zinc/31/93/22/557319322.db2.gz BRCVAYLKNKWLBM-KRWDZBQOSA-N 0 3 363.502 2.424 20 30 FEEDHN CCN1CCc2c(cccc2NC(=O)C(=O)NCc2ccc(C#N)cc2)C1 ZINC000372035836 557363170 /nfs/dbraw/zinc/36/31/70/557363170.db2.gz DZJYCOOUXIMPSR-UHFFFAOYSA-N 0 3 362.433 2.191 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H]4CCCCCC[C@H]43)CC2)o1 ZINC000372585784 557513216 /nfs/dbraw/zinc/51/32/16/557513216.db2.gz JVGFXTKFGRXRBD-SJLPKXTDSA-N 0 3 371.485 2.158 20 30 FEEDHN C=CCN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372597805 557515990 /nfs/dbraw/zinc/51/59/90/557515990.db2.gz BZSYVBXTUGMSPD-OALUTQOASA-N 0 3 355.482 2.144 20 30 FEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372900027 557584775 /nfs/dbraw/zinc/58/47/75/557584775.db2.gz AWBUUSGSFHTRRK-INOITIFUSA-N 0 3 374.529 2.250 20 30 FEEDHN N#CC(C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1nnc2n1CCCCC2 ZINC000519899491 562147442 /nfs/dbraw/zinc/14/74/42/562147442.db2.gz LVKBKFFAYZYPHN-AWEZNQCLSA-N 0 3 366.425 2.059 20 30 FEEDHN COC1(CO)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000373233176 557654691 /nfs/dbraw/zinc/65/46/91/557654691.db2.gz DKAAVFCWQMSRME-UHFFFAOYSA-N 0 3 354.454 2.437 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1 ZINC000373402725 557687710 /nfs/dbraw/zinc/68/77/10/557687710.db2.gz KTGWRJKCXUGNTB-VGSWGCGISA-N 0 3 370.412 2.363 20 30 FEEDHN N#CC1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCOCC1 ZINC000373419123 557689952 /nfs/dbraw/zinc/68/99/52/557689952.db2.gz UHWGUMYLDVEMHB-UHFFFAOYSA-N 0 3 359.392 2.228 20 30 FEEDHN C[C@@H](CO)N1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000373734101 557747816 /nfs/dbraw/zinc/74/78/16/557747816.db2.gz PXAJJARBKWHVLG-SFHVURJKSA-N 0 3 367.497 2.352 20 30 FEEDHN CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374333347 557867198 /nfs/dbraw/zinc/86/71/98/557867198.db2.gz UOUFMUSSMUUXPQ-RRMPHLOHSA-N 0 3 366.465 2.121 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000375275036 558002716 /nfs/dbraw/zinc/00/27/16/558002716.db2.gz BZJPLJAWRHTQJK-NQIIRXRSSA-N 0 3 368.481 2.197 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1 ZINC000375521235 558042372 /nfs/dbraw/zinc/04/23/72/558042372.db2.gz PMSJFUNOPJSCJE-FUHWJXTLSA-N 0 3 358.401 2.483 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000375665721 558064281 /nfs/dbraw/zinc/06/42/81/558064281.db2.gz RCHVTFQCJUYGLM-PBHICJAKSA-N 0 3 362.437 2.436 20 30 FEEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000376191670 558138860 /nfs/dbraw/zinc/13/88/60/558138860.db2.gz ZGJUALGZBOMYAY-NWDGAFQWSA-N 0 3 362.355 2.221 20 30 FEEDHN COc1cc(CNC[C@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000376609332 558197109 /nfs/dbraw/zinc/19/71/09/558197109.db2.gz IVHVGBLGHGYQJY-WOJBJXKFSA-N 0 3 351.450 2.292 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCOC(C)(C)C2)cc1 ZINC000376627808 558199734 /nfs/dbraw/zinc/19/97/34/558199734.db2.gz IBHAYCQIONVSPS-CYBMUJFWSA-N 0 3 365.455 2.405 20 30 FEEDHN CN1CCC(NC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)CC1 ZINC000376792481 558222049 /nfs/dbraw/zinc/22/20/49/558222049.db2.gz MYHQVKMMNAHTNQ-UHFFFAOYSA-N 0 3 362.424 2.263 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000377256197 558299847 /nfs/dbraw/zinc/29/98/47/558299847.db2.gz RIQYUXGOBVNMLZ-IBGZPJMESA-N 0 3 357.498 2.109 20 30 FEEDHN COc1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1OCCCC#N ZINC000377838098 558432695 /nfs/dbraw/zinc/43/26/95/558432695.db2.gz VNXWQAILRGCQND-USXIJHARSA-N 0 3 357.454 2.477 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](NC(=O)CC)C1)C(C)C ZINC000522802714 562204040 /nfs/dbraw/zinc/20/40/40/562204040.db2.gz DHAULMSDCPSZMW-MSOLQXFVSA-N 0 3 364.534 2.385 20 30 FEEDHN CCc1nc(CN2CCC[C@H](N(C)C[C@@H](O)c3ccc(C#N)cc3)C2)no1 ZINC000378142238 558490117 /nfs/dbraw/zinc/49/01/17/558490117.db2.gz LTLVYFOLRPAXBZ-ZWKOTPCHSA-N 0 3 369.469 2.133 20 30 FEEDHN CCc1nc(CN2C[C@H]3CN(Cc4cc(C#N)ccc4OC)C[C@@H]3C2)no1 ZINC000378216944 558504469 /nfs/dbraw/zinc/50/44/69/558504469.db2.gz KYUTVKITCYYBRB-IAGOWNOFSA-N 0 3 367.453 2.076 20 30 FEEDHN N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3CCCN3C3CCOCC3)CCO2)c1 ZINC000378298563 558522806 /nfs/dbraw/zinc/52/28/06/558522806.db2.gz GVQQUGQTEUEYPC-UXHICEINSA-N 0 3 369.465 2.102 20 30 FEEDHN C=CCCCCCN(C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000523519246 562214600 /nfs/dbraw/zinc/21/46/00/562214600.db2.gz AWPQTKSGIFKVAV-UHFFFAOYSA-N 0 3 352.523 2.317 20 30 FEEDHN Cc1cc(=NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)[nH]n1CCC#N ZINC000378513449 558573197 /nfs/dbraw/zinc/57/31/97/558573197.db2.gz SKRYUEMEQIGEBY-WMLDXEAASA-N 0 3 372.498 2.981 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000408081091 558644321 /nfs/dbraw/zinc/64/43/21/558644321.db2.gz URBDAAHOBVFERA-HNNXBMFYSA-N 0 3 371.485 2.199 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000409496828 558697854 /nfs/dbraw/zinc/69/78/54/558697854.db2.gz YUXWOCCBAMGZET-SJLPKXTDSA-N 0 3 364.515 2.109 20 30 FEEDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)N(CC)C[C@H](C)C#N)C1 ZINC000410130632 558740698 /nfs/dbraw/zinc/74/06/98/558740698.db2.gz MTTUMODGUQBYGU-CVEARBPZSA-N 0 3 358.552 2.203 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000410411682 558755955 /nfs/dbraw/zinc/75/59/55/558755955.db2.gz SIKIIYNLIRXQFR-HFTRVMKXSA-N 0 3 366.531 2.302 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000410870915 558818303 /nfs/dbraw/zinc/81/83/03/558818303.db2.gz JKAIKESLVJPDCM-LJQANCHMSA-N 0 3 357.498 2.392 20 30 FEEDHN C=CCN(C)CCN(CC)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000411635118 558932792 /nfs/dbraw/zinc/93/27/92/558932792.db2.gz AWXLFEKSZWVDCZ-OAHLLOKOSA-N 0 3 354.292 2.415 20 30 FEEDHN N#Cc1cccnc1OC1CCC(N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000525871944 562257988 /nfs/dbraw/zinc/25/79/88/562257988.db2.gz RABXNLRUJLAMCH-DAWZGUTISA-N 0 3 350.422 2.459 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414719707 559181953 /nfs/dbraw/zinc/18/19/53/559181953.db2.gz WEDSLACTTSQSOG-UHFFFAOYSA-N 0 3 371.462 2.383 20 30 FEEDHN N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CNCCO3)cc2)c1 ZINC000415167953 559211140 /nfs/dbraw/zinc/21/11/40/559211140.db2.gz ULAGFVFHEYGEKQ-SFHVURJKSA-N 0 3 352.394 2.460 20 30 FEEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000415423896 559234395 /nfs/dbraw/zinc/23/43/95/559234395.db2.gz ZUSPIUYGJPVRFH-AWEZNQCLSA-N 0 3 366.421 2.403 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N[C@H](CN)C2CC2)ccc1Oc1ccccc1 ZINC000415456150 559238918 /nfs/dbraw/zinc/23/89/18/559238918.db2.gz SKPYBGRZVCECTD-QGZVFWFLSA-N 0 3 364.405 2.143 20 30 FEEDHN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H](CN)C3CC3)c2)cc1 ZINC000415455854 559238964 /nfs/dbraw/zinc/23/89/64/559238964.db2.gz QAZXTAALCXMLNB-SFHVURJKSA-N 0 3 364.405 2.143 20 30 FEEDHN CCc1ccccc1[C@H](N)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000417772458 559375939 /nfs/dbraw/zinc/37/59/39/559375939.db2.gz YQDAMYTZIXWSPX-LJQANCHMSA-N 0 3 352.438 2.499 20 30 FEEDHN COc1ccc(CN2C[C@H](C)N(CCO)C[C@@H]2C)cc1OCCCC#N ZINC000418123744 559391068 /nfs/dbraw/zinc/39/10/68/559391068.db2.gz YPNUTKONAKRMAN-IRXDYDNUSA-N 0 3 361.486 2.265 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN)c1ccc(F)c(F)c1 ZINC000419684471 559453994 /nfs/dbraw/zinc/45/39/94/559453994.db2.gz WJZHTDRFJRATCI-VUCTXSBTSA-N 0 3 365.424 2.284 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419798128 559459859 /nfs/dbraw/zinc/45/98/59/559459859.db2.gz WRHUTUPIIHHVHR-ZDUSSCGKSA-N 0 3 360.483 2.230 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N(C)CCN(C)C2CC2)c(C#N)cn1CC ZINC000421171171 559528455 /nfs/dbraw/zinc/52/84/55/559528455.db2.gz GKQWKGUXTSRUDQ-UHFFFAOYSA-N 0 3 361.446 2.114 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)c(C#N)cn1CC ZINC000421173674 559528765 /nfs/dbraw/zinc/52/87/65/559528765.db2.gz MCXSNBCQAZEFJQ-OCCSQVGLSA-N 0 3 361.446 2.161 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000422528016 559593075 /nfs/dbraw/zinc/59/30/75/559593075.db2.gz MWBYFGWTNHVAQO-IBGZPJMESA-N 0 3 369.509 2.377 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000424066946 559653356 /nfs/dbraw/zinc/65/33/56/559653356.db2.gz UVMUOMOVMMIXFA-SNVBAGLBSA-N 0 3 374.754 2.039 20 30 FEEDHN COc1cccc(OC)c1OC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424090507 559654441 /nfs/dbraw/zinc/65/44/41/559654441.db2.gz KMVMPVAQBBOBRG-OAHLLOKOSA-N 0 3 361.442 2.095 20 30 FEEDHN COc1ccc(C)cc1C1(CNC(=O)[C@H](N)CCCC#N)CCOCC1 ZINC000424108684 559654990 /nfs/dbraw/zinc/65/49/90/559654990.db2.gz XVZQQPYTLPILLP-QGZVFWFLSA-N 0 3 359.470 2.189 20 30 FEEDHN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](N)CCCC#N)c1C ZINC000424106885 559655087 /nfs/dbraw/zinc/65/50/87/559655087.db2.gz YEUMQIZTCLAGMQ-CYBMUJFWSA-N 0 3 352.460 2.106 20 30 FEEDHN CN(C)Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1Br ZINC000424178282 559656765 /nfs/dbraw/zinc/65/67/65/559656765.db2.gz WKSLKTLZVDGBGS-CQSZACIVSA-N 0 3 353.264 2.470 20 30 FEEDHN C=CCCn1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)nn1 ZINC000424710866 559674322 /nfs/dbraw/zinc/67/43/22/559674322.db2.gz VCEXROYOFJCZJY-AEFFLSMTSA-N 0 3 353.470 2.495 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425503221 559706300 /nfs/dbraw/zinc/70/63/00/559706300.db2.gz RPAYQMDEQDPNLC-IRXDYDNUSA-N 0 3 357.502 2.287 20 30 FEEDHN C=CC[C@H](C)[C@H](C)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428411763 559775007 /nfs/dbraw/zinc/77/50/07/559775007.db2.gz FWZMKKCBJJTZDD-KBPBESRZSA-N 0 3 366.483 2.021 20 30 FEEDHN C[C@@H]1C[C@H]1N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1 ZINC000429019584 559788779 /nfs/dbraw/zinc/78/87/79/559788779.db2.gz JNKUVQHNZFLHMN-XNFNUYLZSA-N 0 3 352.482 2.326 20 30 FEEDHN CN1CCN(CCCNC(=O)c2ccc(C#N)o2)[C@H](c2ccccc2)C1 ZINC000429855652 559807273 /nfs/dbraw/zinc/80/72/73/559807273.db2.gz DJBMVRRGQQAQEA-SFHVURJKSA-N 0 3 352.438 2.260 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccccn2)cc1 ZINC000429947010 559809449 /nfs/dbraw/zinc/80/94/49/559809449.db2.gz ODQQEWSGBSXYBX-CYBMUJFWSA-N 0 3 358.423 2.431 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433062015 559870929 /nfs/dbraw/zinc/87/09/29/559870929.db2.gz RKTLCUFOJXFRIS-CQSZACIVSA-N 0 3 359.451 2.277 20 30 FEEDHN COC(=O)[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1C ZINC000434983830 559913726 /nfs/dbraw/zinc/91/37/26/559913726.db2.gz UKAUQTZBRXKIEQ-WMLDXEAASA-N 0 3 353.426 2.242 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(N2CCOCC2)ccn1)C(C)C ZINC000439266029 559991134 /nfs/dbraw/zinc/99/11/34/559991134.db2.gz AQPVBTBNHGDUHJ-FQEVSTJZSA-N 0 3 372.513 2.347 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000440042681 560003660 /nfs/dbraw/zinc/00/36/60/560003660.db2.gz BHBDSSDQMLVNNJ-GASCZTMLSA-N 0 3 367.490 2.485 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440043667 560003664 /nfs/dbraw/zinc/00/36/64/560003664.db2.gz NKDUNXAQDRHNJV-ZNMIVQPWSA-N 0 3 367.490 2.483 20 30 FEEDHN N#Cc1cccc(CNCCNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000441326334 560028645 /nfs/dbraw/zinc/02/86/45/560028645.db2.gz FAFBJNMWHJIWDA-UHFFFAOYSA-N 0 3 367.833 2.419 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000443357937 560081881 /nfs/dbraw/zinc/08/18/81/560081881.db2.gz FOBMNRIMZAKIFE-HZSPNIEDSA-N 0 3 353.463 2.342 20 30 FEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446386979 560145415 /nfs/dbraw/zinc/14/54/15/560145415.db2.gz UPRMPQSUJSFQJT-JXXFODFXSA-N 0 3 372.469 2.465 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000448905675 560205763 /nfs/dbraw/zinc/20/57/63/560205763.db2.gz ABWZQNIDVHXXLU-CYBMUJFWSA-N 0 3 366.259 2.161 20 30 FEEDHN CCN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448939225 560208034 /nfs/dbraw/zinc/20/80/34/560208034.db2.gz BHJMCLMUIFQTLW-OAHLLOKOSA-N 0 3 374.872 2.119 20 30 FEEDHN C[C@@H]1[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCCN1C ZINC000450545994 560265586 /nfs/dbraw/zinc/26/55/86/560265586.db2.gz CVVLIVMEWCGXTG-IAQYHMDHSA-N 0 3 366.259 2.298 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3nccc(C)c3C#N)C2)CC1 ZINC000450763647 560272601 /nfs/dbraw/zinc/27/26/01/560272601.db2.gz BLGFQVFLNRPKPG-SFHVURJKSA-N 0 3 355.486 2.032 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCCC[C@H]1C ZINC000451046872 560284481 /nfs/dbraw/zinc/28/44/81/560284481.db2.gz AFJSHYWHXVGVJZ-ZIAGYGMSSA-N 0 3 353.463 2.380 20 30 FEEDHN C[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)CN1CCCC1 ZINC000451093865 560286599 /nfs/dbraw/zinc/28/65/99/560286599.db2.gz ZIYFUBUKDLWEKS-CYBMUJFWSA-N 0 3 355.891 2.416 20 30 FEEDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451406680 560304931 /nfs/dbraw/zinc/30/49/31/560304931.db2.gz KDKNSVOFXLJBBR-AWEZNQCLSA-N 0 3 353.463 2.381 20 30 FEEDHN CC(C)[C@@H](CO)[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000451597716 560316674 /nfs/dbraw/zinc/31/66/74/560316674.db2.gz NBBHKEBCWHDIPL-MSOLQXFVSA-N 0 3 352.500 2.211 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000451607691 560317095 /nfs/dbraw/zinc/31/70/95/560317095.db2.gz QDGILEDUIFDIBH-XKQJLSEDSA-N 0 3 352.862 2.499 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000451675950 560321377 /nfs/dbraw/zinc/32/13/77/560321377.db2.gz DEEQSJFDCWTVGP-MOPGFXCFSA-N 0 3 373.497 2.495 20 30 FEEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCN2CCCO)c1C#N ZINC000452779224 560373695 /nfs/dbraw/zinc/37/36/95/560373695.db2.gz FROCCNZROXJQRK-AWEZNQCLSA-N 0 3 374.510 2.129 20 30 FEEDHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)cc1 ZINC000453001472 560380539 /nfs/dbraw/zinc/38/05/39/560380539.db2.gz CZPGDRABTARTPS-UHFFFAOYSA-N 0 3 365.437 2.239 20 30 FEEDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCN1C ZINC000453713415 560398968 /nfs/dbraw/zinc/39/89/68/560398968.db2.gz IFBARBBEZMUTEX-JSGCOSHPSA-N 0 3 362.861 2.286 20 30 FEEDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453714848 560399045 /nfs/dbraw/zinc/39/90/45/560399045.db2.gz QSHFJLRXDZKOON-HUUCEWRRSA-N 0 3 374.872 2.430 20 30 FEEDHN Cc1nc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)ccc1C#N ZINC000453732192 560400205 /nfs/dbraw/zinc/40/02/05/560400205.db2.gz CVWCNMOVOYDCPW-RDTXWAMCSA-N 0 3 365.437 2.008 20 30 FEEDHN CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453738686 560400707 /nfs/dbraw/zinc/40/07/07/560400707.db2.gz AGAWXYABWDKGQW-UHFFFAOYSA-N 0 3 356.470 2.416 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1 ZINC000453767087 560402779 /nfs/dbraw/zinc/40/27/79/560402779.db2.gz SBWVONVZCVGKRV-HNNXBMFYSA-N 0 3 354.454 2.138 20 30 FEEDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000454110145 560430074 /nfs/dbraw/zinc/43/00/74/560430074.db2.gz UERLAVQBZYYLNG-CQSZACIVSA-N 0 3 362.861 2.286 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000454116817 560430651 /nfs/dbraw/zinc/43/06/51/560430651.db2.gz XUAPVABQJOSESC-MRXNPFEDSA-N 0 3 372.469 2.225 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000455537928 560486147 /nfs/dbraw/zinc/48/61/47/560486147.db2.gz JGZKYLSIISPAHQ-UHFFFAOYSA-N 0 3 369.400 2.133 20 30 FEEDHN C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)CN1CCN(C)CC1 ZINC000455698235 560492132 /nfs/dbraw/zinc/49/21/32/560492132.db2.gz FSMBBUNRHHHCDS-CQSZACIVSA-N 0 3 363.893 2.411 20 30 FEEDHN N#CCc1ccc(NC(=O)N[C@H]2CCCN(CCCO)C2)c(Cl)c1 ZINC000455735271 560493249 /nfs/dbraw/zinc/49/32/49/560493249.db2.gz QGNVHDRCOZMCDD-AWEZNQCLSA-N 0 3 350.850 2.374 20 30 FEEDHN N#CCc1ccc(NC(=O)NC[C@H]2CCCCN2CCO)c(Cl)c1 ZINC000455735238 560493260 /nfs/dbraw/zinc/49/32/60/560493260.db2.gz QEVAYKKBMRQOFJ-CQSZACIVSA-N 0 3 350.850 2.374 20 30 FEEDHN C=CCC[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(=O)OCC ZINC000456630120 560526501 /nfs/dbraw/zinc/52/65/01/560526501.db2.gz PXVQYBGZEMLFND-MRXNPFEDSA-N 0 3 352.475 2.036 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000456746503 560531674 /nfs/dbraw/zinc/53/16/74/560531674.db2.gz DNAROKJWSRKDOG-PMACEKPBSA-N 0 3 361.445 2.329 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000457495414 560570598 /nfs/dbraw/zinc/57/05/98/560570598.db2.gz CHMKGNGQTGAXLF-PMACEKPBSA-N 0 3 372.513 2.081 20 30 FEEDHN CC#CCCNC(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000458668577 560639394 /nfs/dbraw/zinc/63/93/94/560639394.db2.gz VRTABMDEDCZIGM-UHFFFAOYSA-N 0 3 356.470 2.322 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N(C)C)cn1 ZINC000460209276 560737971 /nfs/dbraw/zinc/73/79/71/560737971.db2.gz JBDSKZHEELJEIE-UHFFFAOYSA-N 0 3 351.454 2.223 20 30 FEEDHN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460768341 560751332 /nfs/dbraw/zinc/75/13/32/560751332.db2.gz KYNSOEZIIMOWRQ-NVXWUHKLSA-N 0 3 363.506 2.251 20 30 FEEDHN C[C@H](C(=O)N1CCC(CN2CCN(C)CC2)CC1)c1cccc(C#N)c1 ZINC000462153314 560799575 /nfs/dbraw/zinc/79/95/75/560799575.db2.gz WZTHSGMBDQSZBS-KRWDZBQOSA-N 0 3 354.498 2.148 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000465906745 560875812 /nfs/dbraw/zinc/87/58/12/560875812.db2.gz HXZYXBADQRNJTJ-UHFFFAOYSA-N 0 3 374.485 2.126 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000467022143 560901772 /nfs/dbraw/zinc/90/17/72/560901772.db2.gz HCFSLQYJDLFONU-APWZRJJASA-N 0 3 368.481 2.312 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCN(CCC)C(=O)C1)C(C)C ZINC000472093915 561017859 /nfs/dbraw/zinc/01/78/59/561017859.db2.gz JVTPTHURAFNMNK-GOSISDBHSA-N 0 3 364.534 2.339 20 30 FEEDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000472623552 561031244 /nfs/dbraw/zinc/03/12/44/561031244.db2.gz MARIOJWDJAFLAV-MSOLQXFVSA-N 0 3 365.499 2.319 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000472999304 561039965 /nfs/dbraw/zinc/03/99/65/561039965.db2.gz ITUDENSZYFVRAQ-ZWKOTPCHSA-N 0 3 350.507 2.068 20 30 FEEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475530825 561099484 /nfs/dbraw/zinc/09/94/84/561099484.db2.gz OTSRPZPVPVBNHD-MOPGFXCFSA-N 0 3 370.497 2.133 20 30 FEEDHN CC(=O)Nc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000528033278 562311874 /nfs/dbraw/zinc/31/18/74/562311874.db2.gz YOHGRTZKVGUHGB-UHFFFAOYSA-N 0 3 365.437 2.116 20 30 FEEDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528380996 562325918 /nfs/dbraw/zinc/32/59/18/562325918.db2.gz LBWKBAFRWZRFKL-SJLPKXTDSA-N 0 3 373.497 2.172 20 30 FEEDHN CC(C)[C@H]1CN(CC(=O)NC2(C#N)CCC2)CCN1Cc1ccccc1 ZINC000528639199 562339593 /nfs/dbraw/zinc/33/95/93/562339593.db2.gz KUDYSZDBYYNQAK-LJQANCHMSA-N 0 3 354.498 2.391 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000528922671 562353112 /nfs/dbraw/zinc/35/31/12/562353112.db2.gz AGSBHSYEZZKZJR-RAZVHJQOSA-N 0 3 371.437 2.095 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000528993877 562355664 /nfs/dbraw/zinc/35/56/64/562355664.db2.gz BDGGUKLGQXPNTO-LGDVELKSSA-N 0 3 350.365 2.349 20 30 FEEDHN C[C@]1(CO)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@]1(C)CO ZINC000529668793 562380727 /nfs/dbraw/zinc/38/07/27/562380727.db2.gz NSMHWVCLJMCRJN-OYRHEFFESA-N 0 3 368.481 2.277 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530026168 562394951 /nfs/dbraw/zinc/39/49/51/562394951.db2.gz AJXZIHUQEUGJMN-GOSISDBHSA-N 0 3 357.502 2.479 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000530231562 562403071 /nfs/dbraw/zinc/40/30/71/562403071.db2.gz KJMDESFJQDJOMK-HOTGVXAUSA-N 0 3 373.403 2.445 20 30 FEEDHN CC(=O)N1CC[C@@H](NC[C@H](O)COc2ccccc2C#N)c2ccccc21 ZINC000530233609 562403177 /nfs/dbraw/zinc/40/31/77/562403177.db2.gz YNHXIEGZZKXVFA-PKOBYXMFSA-N 0 3 365.433 2.385 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000530627736 562418310 /nfs/dbraw/zinc/41/83/10/562418310.db2.gz SDZHSYXJHCJCLP-FXAWDEMLSA-N 0 3 355.482 2.453 20 30 FEEDHN CC(C)(O)CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCOCC1 ZINC000530939166 562429262 /nfs/dbraw/zinc/42/92/62/562429262.db2.gz MLPRIBMTGFHIIU-UHFFFAOYSA-N 0 3 356.426 2.360 20 30 FEEDHN CC1CC(C#N)(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000531558817 562449739 /nfs/dbraw/zinc/44/97/39/562449739.db2.gz KRPOPFAWZSWAIZ-BIXGBWIQSA-N 0 3 354.498 2.421 20 30 FEEDHN N#Cc1cnn2cc(CNC3CCN(Cc4ccc(F)cc4)CC3)cnc12 ZINC000549763606 562639133 /nfs/dbraw/zinc/63/91/33/562639133.db2.gz JASLVSLSIOJHGO-UHFFFAOYSA-N 0 3 364.428 2.494 20 30 FEEDHN C=C(C)C[C@H](NC(=O)c1ccc(N2CCN(CC)CC2)cc1)C(=O)OC ZINC000601786135 567840936 /nfs/dbraw/zinc/84/09/36/567840936.db2.gz PIAZWFNVDSGKEI-SFHVURJKSA-N 0 3 359.470 2.066 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000601969058 567890093 /nfs/dbraw/zinc/89/00/93/567890093.db2.gz RZNPNQSTMIKIPO-XKQJLSEDSA-N 0 3 355.841 2.105 20 30 FEEDHN CC1(C(=O)N2CCN(CCC#N)CC2)CCN(Cc2ccccc2)CC1 ZINC000602204586 567951751 /nfs/dbraw/zinc/95/17/51/567951751.db2.gz QUPTWDRJDSMREY-UHFFFAOYSA-N 0 3 354.498 2.347 20 30 FEEDHN N#CC[C@]1(O)CCN(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC000602392507 567974968 /nfs/dbraw/zinc/97/49/68/567974968.db2.gz RHHJVGXQEUKPET-FPOVZHCZSA-N 0 3 370.497 2.491 20 30 FEEDHN N#CCN1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602538110 567992547 /nfs/dbraw/zinc/99/25/47/567992547.db2.gz IBRFEISBFIDICJ-UHFFFAOYSA-N 0 3 359.249 2.496 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000602539323 567992808 /nfs/dbraw/zinc/99/28/08/567992808.db2.gz JOIQJOASRVSQKF-HNNXBMFYSA-N 0 3 366.483 2.157 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000602587329 567994444 /nfs/dbraw/zinc/99/44/44/567994444.db2.gz ZORCAWAVYACKHY-HNNXBMFYSA-N 0 3 350.484 2.420 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000604391257 568282362 /nfs/dbraw/zinc/28/23/62/568282362.db2.gz HNKRUIBIMOHTFY-QGZVFWFLSA-N 0 3 357.498 2.319 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCC(=O)N2)cc1Cl ZINC000808979087 674476805 /nfs/dbraw/zinc/47/68/05/674476805.db2.gz FBMYWUXAGXFONP-JQWIXIFHSA-N 0 3 363.801 2.055 20 30 FEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822000355 606178473 /nfs/dbraw/zinc/17/84/73/606178473.db2.gz JWRLQBSCXNNSID-MRXNPFEDSA-N 0 3 373.464 2.445 20 30 FEEDHN CC[C@H](C#N)Oc1cc(CNC2CCS(=O)(=O)CC2)ccc1OC ZINC000812832006 674701144 /nfs/dbraw/zinc/70/11/44/674701144.db2.gz PLBULRCRICKFEP-OAHLLOKOSA-N 0 3 352.456 2.043 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000564207493 674983799 /nfs/dbraw/zinc/98/37/99/674983799.db2.gz DFWZFDNMKDTCCT-MRVPVSSYSA-N 0 3 368.260 2.860 20 30 FEEDHN CO[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000816038418 675000642 /nfs/dbraw/zinc/00/06/42/675000642.db2.gz WSACIKASKFRGLR-BFHYXJOUSA-N 0 3 350.365 2.495 20 30 FEEDHN CO[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)C1 ZINC000816037670 675000809 /nfs/dbraw/zinc/00/08/09/675000809.db2.gz UWJOMIKKEYSRDO-GLQYFDAESA-N 0 3 350.365 2.495 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000564845861 675067244 /nfs/dbraw/zinc/06/72/44/675067244.db2.gz FCCZHQJPHPUNFU-BBWFWOEESA-N 0 3 363.527 2.288 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000564845862 675067389 /nfs/dbraw/zinc/06/73/89/675067389.db2.gz FCCZHQJPHPUNFU-BRWVUGGUSA-N 0 3 363.527 2.288 20 30 FEEDHN N#CC(C(=O)CCc1nc(-c2cccs2)no1)C(=O)NC1CCCC1 ZINC000051651863 670302142 /nfs/dbraw/zinc/30/21/42/670302142.db2.gz XSDMOYGHHLTLOR-LBPRGKRZSA-N 0 3 358.423 2.498 20 30 FEEDHN C=CCCCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000569267950 670534903 /nfs/dbraw/zinc/53/49/03/670534903.db2.gz HMYKCGPASCQGFG-UHFFFAOYSA-N 0 3 351.878 2.313 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccccc1Br ZINC000112484003 670872524 /nfs/dbraw/zinc/87/25/24/670872524.db2.gz MXKJRRIOZNYILM-QWRGUYRKSA-N 0 3 351.200 2.227 20 30 FEEDHN CSC1(CNS(=O)(=O)c2ccc(Cl)cc2C#N)CCN(C)CC1 ZINC000572327170 670987168 /nfs/dbraw/zinc/98/71/68/670987168.db2.gz YGEOTFXQNNEZEC-UHFFFAOYSA-N 0 3 373.931 2.317 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1ccc(F)c(Cl)c1 ZINC000124345515 671995435 /nfs/dbraw/zinc/99/54/35/671995435.db2.gz FLEITZKCFGQYJQ-LBPRGKRZSA-N 0 3 356.781 2.110 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1ccc(F)c(Cl)c1 ZINC000125538183 672013061 /nfs/dbraw/zinc/01/30/61/672013061.db2.gz HXLVQLAPYQBTDU-ZDUSSCGKSA-N 0 3 370.808 2.498 20 30 FEEDHN CC[C@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1 ZINC000583170237 672069700 /nfs/dbraw/zinc/06/97/00/672069700.db2.gz QFXGQEJZLWYBQD-ROUUACIJSA-N 0 3 364.515 2.260 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000583217253 672074639 /nfs/dbraw/zinc/07/46/39/672074639.db2.gz SRAUQWKMZGZTKD-UHFFFAOYSA-N 0 3 362.499 2.408 20 30 FEEDHN CN(C)C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)c2ccccc2O1 ZINC000610759578 675994856 /nfs/dbraw/zinc/99/48/56/675994856.db2.gz HYZGVHSKLWUWPR-HNNXBMFYSA-N 0 3 357.435 2.076 20 30 FEEDHN N#CC(C(=O)CCNC(=O)OCC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000159656757 672284053 /nfs/dbraw/zinc/28/40/53/672284053.db2.gz GILJNXVTEPFEIY-VIFPVBQESA-N 0 3 354.288 2.418 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)CCC(F)(F)F)cc1 ZINC000173992536 672357135 /nfs/dbraw/zinc/35/71/35/672357135.db2.gz VFTBAEMZVVVYHA-GFCCVEGCSA-N 0 3 355.316 2.378 20 30 FEEDHN C=CCOCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589316850 672521758 /nfs/dbraw/zinc/52/17/58/672521758.db2.gz HNBJDIBJERDUTB-UHFFFAOYSA-N 0 3 362.167 2.492 20 30 FEEDHN COCCN1CCC(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000190148481 672631283 /nfs/dbraw/zinc/63/12/83/672631283.db2.gz DRDOUXRZLJFERP-UHFFFAOYSA-N 0 3 354.372 2.284 20 30 FEEDHN COc1ccc(Cl)c(N2CCN(C(=O)[C@@H](N)CCCC#N)CC2)c1 ZINC000593913101 673007190 /nfs/dbraw/zinc/00/71/90/673007190.db2.gz XPOWEKREVHEAHN-HNNXBMFYSA-N 0 3 350.850 2.018 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)CC(=O)N(C)C2CCCCC2)CC1 ZINC000594302719 673055357 /nfs/dbraw/zinc/05/53/57/673055357.db2.gz QMPPULBLLQXNDM-UHFFFAOYSA-N 0 3 350.507 2.069 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000594433194 673071477 /nfs/dbraw/zinc/07/14/77/673071477.db2.gz MCXRBNOKGVCTKV-LSDHHAIUSA-N 0 3 362.861 2.363 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)NC[C@]3(C)CCOC3)CC2)C[C@H](C)O1 ZINC000329560611 673079368 /nfs/dbraw/zinc/07/93/68/673079368.db2.gz RGZSONFJFUBCKE-FCEWJHQRSA-N 0 3 353.507 2.148 20 30 FEEDHN C[C@@H]1CN(C(=O)NC2CCN(C3CCCCC3)CC2)C[C@@H](C)S1(=O)=O ZINC000329769425 673083111 /nfs/dbraw/zinc/08/31/11/673083111.db2.gz HUHPZLQIQWTOFQ-HUUCEWRRSA-N 0 3 371.547 2.205 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809208 673091490 /nfs/dbraw/zinc/09/14/90/673091490.db2.gz IUJWINKNWSZSMR-HZPDHXFCSA-N 0 3 351.491 2.422 20 30 FEEDHN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000730919425 673295435 /nfs/dbraw/zinc/29/54/35/673295435.db2.gz CYJAVRUJYMWNML-SNVBAGLBSA-N 0 3 372.805 2.423 20 30 FEEDHN N#Cc1sccc1N1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000595937182 673341908 /nfs/dbraw/zinc/34/19/08/673341908.db2.gz FBGWWOKYRSEKKB-MRXNPFEDSA-N 0 3 352.463 2.155 20 30 FEEDHN CC(C(=O)N1/C(=N/Cc2ccccc2)SCC1(C)C)S(C)(=O)=O ZINC000733086483 673397239 /nfs/dbraw/zinc/39/72/39/673397239.db2.gz MXODODFNIMYHJB-UWENYHRYSA-N 0 3 354.497 2.330 20 30 FEEDHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000597205713 673456472 /nfs/dbraw/zinc/45/64/72/673456472.db2.gz OYYRUKHQEPOOMN-UHFFFAOYSA-N 0 3 356.392 2.029 20 30 FEEDHN CC[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H](C)N1 ZINC000598532218 673579631 /nfs/dbraw/zinc/57/96/31/673579631.db2.gz VHXMBBPCEXCEKX-XHDPSFHLSA-N 0 3 350.260 2.462 20 30 FEEDHN CC(C)[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CCN1 ZINC000598575701 673585350 /nfs/dbraw/zinc/58/53/50/673585350.db2.gz WHDJSFNOMABKBW-HNNXBMFYSA-N 0 3 366.259 2.156 20 30 FEEDHN CC[C@](C)(C(=O)OC)N(C[C@@H](O)CC1(C#N)CCOCC1)CC1CC1 ZINC000599439916 673675743 /nfs/dbraw/zinc/67/57/43/673675743.db2.gz JHIUNJJHHRIXQF-FUHWJXTLSA-N 0 3 352.475 2.111 20 30 FEEDHN CC[C@](C)(C(=O)OC)N(C[C@H](O)CC1(C#N)CCOCC1)CC1CC1 ZINC000599439917 673675787 /nfs/dbraw/zinc/67/57/87/673675787.db2.gz JHIUNJJHHRIXQF-SJLPKXTDSA-N 0 3 352.475 2.111 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000601372447 673850520 /nfs/dbraw/zinc/85/05/20/673850520.db2.gz YFZNQERSFLMEOS-XJKSGUPXSA-N 0 3 351.447 2.111 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000818584726 675226072 /nfs/dbraw/zinc/22/60/72/675226072.db2.gz WCWALPMFCLEMKY-IBGZPJMESA-N 0 3 351.491 2.095 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC000818608950 675228568 /nfs/dbraw/zinc/22/85/68/675228568.db2.gz AHTKMBOIJZPRAF-UHFFFAOYSA-N 0 3 355.316 2.237 20 30 FEEDHN C=CC1(CC(=O)N2CCN[C@H](C(C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000826762354 675704064 /nfs/dbraw/zinc/70/40/64/675704064.db2.gz GPIYBHNETMVRTF-HNNXBMFYSA-N 0 3 351.491 2.256 20 30 FEEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000827444756 675756228 /nfs/dbraw/zinc/75/62/28/675756228.db2.gz APSCKTLLRCBJEX-GOSISDBHSA-N 0 3 352.523 2.196 20 30 FEEDHN O=C(C#Cc1cccs1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000827919540 675787021 /nfs/dbraw/zinc/78/70/21/675787021.db2.gz KTDDUQHJSLHZKB-HKUYNNGSSA-N 0 3 354.475 2.099 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCn2ccc(C(F)(F)F)n2)CC1 ZINC000634847317 677084123 /nfs/dbraw/zinc/08/41/23/677084123.db2.gz FBAWLBIWYNWZNT-UHFFFAOYSA-N 0 3 359.396 2.242 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)[C@H](O)c1c(F)cccc1F ZINC000838622841 680706500 /nfs/dbraw/zinc/70/65/00/680706500.db2.gz PYGDECBETDCRGF-WBVHZDCISA-N 0 3 353.413 2.031 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000838623478 680706751 /nfs/dbraw/zinc/70/67/51/680706751.db2.gz DMQIFUNIZDKODO-UHFFFAOYSA-N 0 3 372.296 2.452 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656360475 677749355 /nfs/dbraw/zinc/74/93/55/677749355.db2.gz UAIINQKRRIANLM-SJORKVTESA-N 0 3 361.511 2.396 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000748001960 679919875 /nfs/dbraw/zinc/91/98/75/679919875.db2.gz UKXILNVYKYNMKL-YVEFUNNKSA-N 0 3 352.837 2.362 20 30 FEEDHN C=CCNC(=O)CN1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832250031 680115976 /nfs/dbraw/zinc/11/59/76/680115976.db2.gz DKJWCKHBIVSDKN-HOTGVXAUSA-N 0 3 351.491 2.258 20 30 FEEDHN CC(C)(CCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F)[N+](=O)[O-] ZINC000835341392 680321248 /nfs/dbraw/zinc/32/12/48/680321248.db2.gz UJCBSFXEXHUDKK-LBPRGKRZSA-N 0 3 353.325 2.125 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@H](COC)c1ccc(Cl)cc1 ZINC000836491397 680476941 /nfs/dbraw/zinc/47/69/41/680476941.db2.gz QREZUCKIGOIFAM-MRXNPFEDSA-N 0 3 351.878 2.324 20 30 FEEDHN Clc1cccc(CNN=C2CCN(CCN3CCOCC3)CC2)c1 ZINC000756831892 680500448 /nfs/dbraw/zinc/50/04/48/680500448.db2.gz NCTVWMHFUFLKLX-UHFFFAOYSA-N 0 3 350.894 2.214 20 30 FEEDHN N#Cc1ccc(CN2CCC(NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)s1 ZINC001003067381 680520010 /nfs/dbraw/zinc/52/00/10/680520010.db2.gz CYAMBIORYCHWSF-HZPDHXFCSA-N 0 3 355.467 2.227 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)C[C@H](C)SC)cc1OC ZINC000757407906 680523644 /nfs/dbraw/zinc/52/36/44/680523644.db2.gz DRKZCVUVCUNRIN-GXTWGEPZSA-N 0 3 364.467 2.213 20 30 FEEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C ZINC001042603218 680536114 /nfs/dbraw/zinc/53/61/14/680536114.db2.gz CCDDVOHSQPGBNO-WQVCFCJDSA-N 0 3 361.515 2.139 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]c1C)C2 ZINC001004817788 680565839 /nfs/dbraw/zinc/56/58/39/680565839.db2.gz SYOUWGVLRPAQOV-YUELXQCFSA-N 0 3 364.877 2.287 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043516333 680585402 /nfs/dbraw/zinc/58/54/02/680585402.db2.gz DJNDAXUDWMASNW-QJPTWQEYSA-N 0 3 367.906 2.269 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043517055 680585510 /nfs/dbraw/zinc/58/55/10/680585510.db2.gz JRVRLTAJQPDVNH-DMDPSCGWSA-N 0 3 367.906 2.269 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@H]1N(C)C ZINC000759992663 680674055 /nfs/dbraw/zinc/67/40/55/680674055.db2.gz IVLITRLFQYSHKH-HIFRSBDPSA-N 0 3 352.435 2.237 20 30 FEEDHN COc1cc(C#N)ccc1COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000766881692 680891239 /nfs/dbraw/zinc/89/12/39/680891239.db2.gz ASAVIRZUQNFOFJ-DGCLKSJQSA-N 0 3 356.300 2.067 20 30 FEEDHN COc1cc(C#N)ccc1COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000766881691 680891305 /nfs/dbraw/zinc/89/13/05/680891305.db2.gz ASAVIRZUQNFOFJ-AAEUAGOBSA-N 0 3 356.300 2.067 20 30 FEEDHN C#CCNC(=O)C1CCN(Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000769020143 680968081 /nfs/dbraw/zinc/96/80/81/680968081.db2.gz FAEQMPZPDIMIPO-UHFFFAOYSA-N 0 3 352.381 2.258 20 30 FEEDHN COCCN(C(=O)OC(C)(C)C)C1CCN(CCO[C@H](C)C#N)CC1 ZINC000844356852 681053680 /nfs/dbraw/zinc/05/36/80/681053680.db2.gz UBESVYOALHITGI-OAHLLOKOSA-N 0 3 355.479 2.263 20 30 FEEDHN CCOC(=O)[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000932644143 681275678 /nfs/dbraw/zinc/27/56/78/681275678.db2.gz MNOWXWIPQBAXKE-GFCCVEGCSA-N 0 3 361.467 2.322 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC000847491024 681385676 /nfs/dbraw/zinc/38/56/76/681385676.db2.gz FXNJKEWZELIUOP-LSDHHAIUSA-N 0 3 352.479 2.174 20 30 FEEDHN CO[C@@H](C(=O)C(C#N)C(=O)NC(C)C)c1ccccc1Br ZINC000847624408 681407383 /nfs/dbraw/zinc/40/73/83/681407383.db2.gz PUODLWWTDUKCMI-BXUZGUMPSA-N 0 3 353.216 2.370 20 30 FEEDHN C[C@@H](N[C@@H]1CCOC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000934402825 681565509 /nfs/dbraw/zinc/56/55/09/681565509.db2.gz CRCZUHQBWQPQMY-MLGOLLRUSA-N 0 3 363.845 2.466 20 30 FEEDHN CC[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)N(C)C(=O)OC(C)(C)C ZINC000850768787 681958121 /nfs/dbraw/zinc/95/81/21/681958121.db2.gz XTJIBRANZSUXBZ-KGLIPLIRSA-N 0 3 351.447 2.400 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNCc1cc(OC)ns1 ZINC000960136332 682029313 /nfs/dbraw/zinc/02/93/13/682029313.db2.gz SWNBHHXYDKEWCQ-IMJJTQAJSA-N 0 3 365.499 2.214 20 30 FEEDHN COc1cc(OC)cc(C(=O)NCC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000915100177 685512202 /nfs/dbraw/zinc/51/22/02/685512202.db2.gz LYGVGCNKKGKSOO-AWEZNQCLSA-N 0 3 359.407 2.075 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c2ccccc12 ZINC000916891025 685528455 /nfs/dbraw/zinc/52/84/55/685528455.db2.gz OJRLRDJPSXPNJH-AWEZNQCLSA-N 0 3 360.797 2.343 20 30 FEEDHN CNC(=O)C(C#N)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000917001962 685528946 /nfs/dbraw/zinc/52/89/46/685528946.db2.gz CKTQDIBUPCRTFZ-ZDUSSCGKSA-N 0 3 350.465 2.389 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(=O)N1CCCC1 ZINC000917070716 685529396 /nfs/dbraw/zinc/52/93/96/685529396.db2.gz KACRVAKRSQFOBK-CYBMUJFWSA-N 0 3 356.451 2.027 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1CN(CCOC2CCC2)C1 ZINC000970560683 682306920 /nfs/dbraw/zinc/30/69/20/682306920.db2.gz OWMRHQBZTGPVOW-MNEFBYGVSA-N 0 3 350.503 2.363 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(CCc2scnc2C)C1 ZINC000970572514 682308027 /nfs/dbraw/zinc/30/80/27/682308027.db2.gz VPKBFOYDAOLSBH-SKDZVZGDSA-N 0 3 363.527 2.412 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)CCn2cc(Cl)cn2)C1 ZINC000972520533 682419068 /nfs/dbraw/zinc/41/90/68/682419068.db2.gz CIVIQTJMHBJHPO-ULQDDVLXSA-N 0 3 366.893 2.050 20 30 FEEDHN N#Cc1ncc(Br)cc1N1CCC(CN2CCOCC2)CC1 ZINC000787897740 682488555 /nfs/dbraw/zinc/48/85/55/682488555.db2.gz RSCMIYWLZNLLFW-UHFFFAOYSA-N 0 3 365.275 2.264 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc(I)cc1 ZINC000793122858 682865930 /nfs/dbraw/zinc/86/59/30/682865930.db2.gz CXTIQQUNSNRXDQ-LBPRGKRZSA-N 0 3 370.190 2.067 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCCCN2S(C)(=O)=O)c([O-])c1 ZINC000794676331 682989373 /nfs/dbraw/zinc/98/93/73/682989373.db2.gz MTFWERSWBCWESI-HNMKQIAWSA-N 0 3 367.515 2.471 20 30 FEEDHN CN(C)Cc1cnc(CNC2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000796280867 683148150 /nfs/dbraw/zinc/14/81/50/683148150.db2.gz SSWGJUNGOLGQJF-UHFFFAOYSA-N 0 3 356.499 2.230 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cn(C(C)C)nn2)cc1Cl ZINC000796745810 683192281 /nfs/dbraw/zinc/19/22/81/683192281.db2.gz MVKGHYGXXRAHRF-LLVKDONJSA-N 0 3 361.789 2.482 20 30 FEEDHN C[C@@H]1[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN1C ZINC000928428054 683449175 /nfs/dbraw/zinc/44/91/75/683449175.db2.gz MCUROOAYVXOUMJ-ILXRZTDVSA-N 0 3 352.479 2.172 20 30 FEEDHN C#CCN(C(=O)C(=O)N[C@@H](C)c1cc(C)sc1C)C1CCN(C)CC1 ZINC000929413952 683591939 /nfs/dbraw/zinc/59/19/39/683591939.db2.gz AMWBJHILJBCMJL-AWEZNQCLSA-N 0 3 361.511 2.098 20 30 FEEDHN C#CCN(C(=O)N[C@H](C)[C@@H]1OCCc2sccc21)C1CCN(C)CC1 ZINC000922596534 683751513 /nfs/dbraw/zinc/75/15/13/683751513.db2.gz KGQNRZYRFSSCEN-KDOFPFPSSA-N 0 3 361.511 2.489 20 30 FEEDHN Cn1[nH]c(=O)c2c1CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000931196627 684239280 /nfs/dbraw/zinc/23/92/80/684239280.db2.gz KIXQQNMLTCZXSA-UHFFFAOYSA-N 0 3 359.817 2.038 20 30 FEEDHN N#Cc1ccc(CN2CCN(CCCCCO)CC2)c(OC(F)F)c1 ZINC000931497639 684292510 /nfs/dbraw/zinc/29/25/10/684292510.db2.gz PSDALDOYKSLHIG-UHFFFAOYSA-N 0 3 353.413 2.440 20 30 FEEDHN C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)C(=O)OCC ZINC000867592328 684324435 /nfs/dbraw/zinc/32/44/35/684324435.db2.gz YTZZYLCRFDQRNM-HNNXBMFYSA-N 0 3 374.890 2.101 20 30 FEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000870143923 684687650 /nfs/dbraw/zinc/68/76/50/684687650.db2.gz ZCZMIZCMCRJVDM-CBBWQLFWSA-N 0 3 359.223 2.322 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1cc(Cl)ccc1C ZINC000873496582 685143102 /nfs/dbraw/zinc/14/31/02/685143102.db2.gz FMGZHBLLRQBIDK-AWEZNQCLSA-N 0 3 352.818 2.279 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876620636 686229704 /nfs/dbraw/zinc/22/97/04/686229704.db2.gz NYWJYPTUFLRXDT-DGCLKSJQSA-N 0 3 366.767 2.031 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000876784409 686268385 /nfs/dbraw/zinc/26/83/85/686268385.db2.gz DSOLETWFMNCULM-QGZVFWFLSA-N 0 3 350.894 2.308 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000876893615 686289237 /nfs/dbraw/zinc/28/92/37/686289237.db2.gz GQIOSKSKDIFUAE-OLZOCXBDSA-N 0 3 360.216 2.171 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000876909867 686293963 /nfs/dbraw/zinc/29/39/63/686293963.db2.gz KYIMYWJAALJWNN-ZYHUDNBSSA-N 0 3 357.863 2.453 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000876979726 686304273 /nfs/dbraw/zinc/30/42/73/686304273.db2.gz PTNVBIPJATYGME-MNOVXSKESA-N 0 3 357.863 2.106 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCCS(=O)(=O)Cc1ccccc1 ZINC000876986473 686305616 /nfs/dbraw/zinc/30/56/16/686305616.db2.gz DSNUCTGPOSQRMN-INIZCTEOSA-N 0 3 350.484 2.290 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000877259663 686344160 /nfs/dbraw/zinc/34/41/60/686344160.db2.gz WCUBTELWEROZMD-SKDRFNHKSA-N 0 3 359.651 2.339 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCn3cnc(C(F)(F)F)c3C2)CC1 ZINC000883343180 687610633 /nfs/dbraw/zinc/61/06/33/687610633.db2.gz CELJGAOHTPCZKO-UHFFFAOYSA-N 0 3 357.380 2.078 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)C2 ZINC000884377631 687859015 /nfs/dbraw/zinc/85/90/15/687859015.db2.gz QEHISTAHHKZSCO-IOSXPMGOSA-N 0 3 359.495 2.395 20 30 FEEDHN C#CCN(C(=O)c1cnn(-c2ccc(Cl)cc2)n1)C1CCN(C)CC1 ZINC000886579684 688279415 /nfs/dbraw/zinc/27/94/15/688279415.db2.gz DZNMUYFNWVACDS-UHFFFAOYSA-N 0 3 357.845 2.090 20 30 FEEDHN C#CCC1(NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000887123346 688369954 /nfs/dbraw/zinc/36/99/54/688369954.db2.gz KMRDFRARZXNUNW-UHFFFAOYSA-N 0 3 351.790 2.349 20 30 FEEDHN Cc1ccc(CN2CC[C@@H](CN(C)S(=O)(=O)CCCC#N)C2)s1 ZINC000907347925 691458844 /nfs/dbraw/zinc/45/88/44/691458844.db2.gz XQIDMPOTYJQGDG-HNNXBMFYSA-N 0 3 355.529 2.444 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccsc1C#N ZINC000907554779 691518246 /nfs/dbraw/zinc/51/82/46/691518246.db2.gz QUNLHDXOEVZZTL-IBGZPJMESA-N 0 3 355.463 2.329 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@@H]3C2)cn1 ZINC001164764864 721112593 /nfs/dbraw/zinc/11/25/93/721112593.db2.gz IGPDLYWSYDTBSU-GJZGRUSLSA-N 0 3 356.861 2.298 20 30 FEEDHN Cc1ccc(CC#N)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877640 721157113 /nfs/dbraw/zinc/15/71/13/721157113.db2.gz PKRQYJKBGIVVNL-WOJBJXKFSA-N 0 3 363.465 2.331 20 30 FEEDHN COc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1C#N ZINC001164897314 721510436 /nfs/dbraw/zinc/51/04/36/721510436.db2.gz FRHFPGRRXUPYGE-SJLPKXTDSA-N 0 3 368.412 2.443 20 30 FEEDHN C=C(C)CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)CCC ZINC000566968867 675256888 /nfs/dbraw/zinc/25/68/88/675256888.db2.gz KFTJRICXVXTZBP-UHFFFAOYSA-N 0 3 359.513 2.200 20 30 FEEDHN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CN(C)C)cc1 ZINC000024811858 539740989 /nfs/dbraw/zinc/74/09/89/539740989.db2.gz BXYBCOVBHUAQHA-UHFFFAOYSA-N 0 3 373.478 2.465 20 30 FEEDHN CC(=O)Nc1ccc(OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)cc1 ZINC000029723883 539862116 /nfs/dbraw/zinc/86/21/16/539862116.db2.gz BLHRXEDMKTWNEU-IBGZPJMESA-N 0 3 353.422 2.388 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(NC(=O)C2CC2)CC1 ZINC000030538808 539884477 /nfs/dbraw/zinc/88/44/77/539884477.db2.gz GQQNUAOGPJUFLZ-IBGZPJMESA-N 0 3 358.482 2.145 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C ZINC000041322309 540016974 /nfs/dbraw/zinc/01/69/74/540016974.db2.gz KZXJNBXDEPHKSJ-CQSZACIVSA-N 0 3 350.850 2.243 20 30 FEEDHN CN(C)S(=O)(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000046441074 540257312 /nfs/dbraw/zinc/25/73/12/540257312.db2.gz VYUMIVRLOGYVGT-AWEZNQCLSA-N 0 3 368.418 2.303 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccc(C(N)=O)cc1)C(C)C ZINC000046905687 540276695 /nfs/dbraw/zinc/27/66/95/540276695.db2.gz JATUODWLVNGFCN-GOSISDBHSA-N 0 3 358.486 2.283 20 30 FEEDHN COc1cc(/C=C/C(=O)NCCN2CCC(C)CC2)ccc1OCC#N ZINC000046955912 540280503 /nfs/dbraw/zinc/28/05/03/540280503.db2.gz XNMMKZBEKWLOGU-GQCTYLIASA-N 0 3 357.454 2.459 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000053667205 540548076 /nfs/dbraw/zinc/54/80/76/540548076.db2.gz FTIUXXIOKHXWIE-UONOGXRCSA-N 0 3 373.400 2.482 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000054183102 540573866 /nfs/dbraw/zinc/57/38/66/540573866.db2.gz PGYDMDHKMBOURQ-IRXDYDNUSA-N 0 3 356.470 2.321 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000065601398 541248118 /nfs/dbraw/zinc/24/81/18/541248118.db2.gz HAEPODBZPDHDRR-INIZCTEOSA-N 0 3 359.470 2.427 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066623381 541348508 /nfs/dbraw/zinc/34/85/08/541348508.db2.gz ITZRLHAMTHHUPI-SFHVURJKSA-N 0 3 356.470 2.266 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000074272214 542061938 /nfs/dbraw/zinc/06/19/38/542061938.db2.gz YCFLLQRKOWMSBZ-LJHODMEESA-N 0 3 374.460 2.386 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000074311535 542067873 /nfs/dbraw/zinc/06/78/73/542067873.db2.gz LBLTZYWNBLPHMY-RXVVDRJESA-N 0 3 352.434 2.280 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000076218386 542246074 /nfs/dbraw/zinc/24/60/74/542246074.db2.gz CEZHIPIULLGNSL-LLVKDONJSA-N 0 3 352.387 2.086 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@@H]1CN1CCOCC1 ZINC000077286569 542361738 /nfs/dbraw/zinc/36/17/38/542361738.db2.gz KQFHGJFVBLVAKN-GOSISDBHSA-N 0 3 359.470 2.132 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000077655503 542405746 /nfs/dbraw/zinc/40/57/46/542405746.db2.gz UHJGPYKSRIRGIZ-KRWDZBQOSA-N 0 3 357.454 2.280 20 30 FEEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801959046 674157033 /nfs/dbraw/zinc/15/70/33/674157033.db2.gz FXKHXBFSPFAGRR-VUCTXSBTSA-N 0 3 351.853 2.342 20 30 FEEDHN CC(C)[C@H](NCc1cccc(OCCCC#N)c1)C(=O)N1CCOCC1 ZINC000084053687 542706970 /nfs/dbraw/zinc/70/69/70/542706970.db2.gz NGDICQDOTOKTJF-IBGZPJMESA-N 0 3 359.470 2.342 20 30 FEEDHN Cn1ccnc1[C@H](O)C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000089926129 542774528 /nfs/dbraw/zinc/77/45/28/542774528.db2.gz PEZAYKSZUYHOKB-LJQANCHMSA-N 0 3 367.453 2.066 20 30 FEEDHN CCS[C@@H]1CC[C@H](N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618916 542875832 /nfs/dbraw/zinc/87/58/32/542875832.db2.gz JCNMLZZZNZRZQG-KSZLIROESA-N 0 3 366.575 2.285 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(C(=O)OCC)CC2)CC1 ZINC000092776331 542886618 /nfs/dbraw/zinc/88/66/18/542886618.db2.gz QWJKQERGFPLONZ-UHFFFAOYSA-N 0 3 351.491 2.402 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000098026245 543017820 /nfs/dbraw/zinc/01/78/20/543017820.db2.gz BYECHJHRIITHMF-QGZVFWFLSA-N 0 3 370.501 2.049 20 30 FEEDHN Cc1cc(COCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)on1 ZINC000802213192 674169758 /nfs/dbraw/zinc/16/97/58/674169758.db2.gz RRGHFUNNIIFJFF-HNNXBMFYSA-N 0 3 361.785 2.178 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCN2CCC(=O)Nc2ccccc2C#N)C[C@H](C)O1 ZINC000103470116 543109555 /nfs/dbraw/zinc/10/95/55/543109555.db2.gz GGKMXPJMHGUNHI-SCTDSRPQSA-N 0 3 370.497 2.460 20 30 FEEDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000103632683 543116000 /nfs/dbraw/zinc/11/60/00/543116000.db2.gz YJIRLSWZBVDLIE-UHFFFAOYSA-N 0 3 372.469 2.108 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)CC1 ZINC000109174661 543316551 /nfs/dbraw/zinc/31/65/51/543316551.db2.gz XILWVIJUUOEOSP-LJQANCHMSA-N 0 3 372.513 2.026 20 30 FEEDHN C=CC1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000111258031 543389918 /nfs/dbraw/zinc/38/99/18/543389918.db2.gz BGUUJYQDQJEKEM-UHFFFAOYSA-N 0 3 355.482 2.305 20 30 FEEDHN CN(CCC#N)c1ccc(CNCC(=O)NCCc2ccccc2)cc1 ZINC000111400766 543400307 /nfs/dbraw/zinc/40/03/07/543400307.db2.gz RFFPXSNPNAHRTJ-UHFFFAOYSA-N 0 3 350.466 2.485 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112391326 543444832 /nfs/dbraw/zinc/44/48/32/543444832.db2.gz MROPREXZLCLQHE-KRWDZBQOSA-N 0 3 374.460 2.271 20 30 FEEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000112699604 543457963 /nfs/dbraw/zinc/45/79/63/543457963.db2.gz YNMKKMVGSXCYPG-ROUUACIJSA-N 0 3 373.497 2.172 20 30 FEEDHN C#CCN1CCC(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000113095442 543474231 /nfs/dbraw/zinc/47/42/31/543474231.db2.gz SBQMUVBSFZDNEC-UHFFFAOYSA-N 0 3 353.510 2.455 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000114587392 543524709 /nfs/dbraw/zinc/52/47/09/543524709.db2.gz PWVZQKLQHQLJRN-UYAOXDASSA-N 0 3 369.513 2.138 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](CO)c2ccc(OC)cc2)CC1 ZINC000120709635 543683899 /nfs/dbraw/zinc/68/38/99/543683899.db2.gz BRDBJDRHCXWOIG-IBGZPJMESA-N 0 3 361.486 2.411 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2c(C)cc(N(C)C)cc2C)CC1 ZINC000121356155 543692830 /nfs/dbraw/zinc/69/28/30/543692830.db2.gz VAZCEQUGAQGDNS-UHFFFAOYSA-N 0 3 372.513 2.465 20 30 FEEDHN N#Cc1ccc2ncc(CNCCNc3nccc(C(F)(F)F)n3)n2c1 ZINC000119561173 543669150 /nfs/dbraw/zinc/66/91/50/543669150.db2.gz JEDDHRMNSOIPRY-UHFFFAOYSA-N 0 3 361.331 2.216 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1)C(C)C ZINC000120274290 543678253 /nfs/dbraw/zinc/67/82/53/543678253.db2.gz FCGXYBZLGGOIHM-OAHLLOKOSA-N 0 3 364.877 2.488 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O)C(C)C ZINC000124547993 543829188 /nfs/dbraw/zinc/82/91/88/543829188.db2.gz DWSWJHWRBLCQLG-RCCFBDPRSA-N 0 3 364.534 2.418 20 30 FEEDHN C=CCC[C@@H](O)CN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000126273611 543927198 /nfs/dbraw/zinc/92/71/98/543927198.db2.gz SBIUOBPXFCJHKZ-QZTJIDSGSA-N 0 3 366.527 2.312 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC(F)F)[C@@H](CC)C2)CC1 ZINC000127642471 544006024 /nfs/dbraw/zinc/00/60/24/544006024.db2.gz DEYXQCXGISWHBV-INIZCTEOSA-N 0 3 358.477 2.398 20 30 FEEDHN C=CCn1c(SCCCN2CCN(C)CC2)nnc1-c1ccccn1 ZINC000131068658 544176057 /nfs/dbraw/zinc/17/60/57/544176057.db2.gz PIJKNLXOPRLCSL-UHFFFAOYSA-N 0 3 358.515 2.256 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)cc1C ZINC000131152591 544178636 /nfs/dbraw/zinc/17/86/36/544178636.db2.gz OFJHNTGOHXRBLO-QZTJIDSGSA-N 0 3 356.470 2.184 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC2(CCOCC2)C1)C(C)C ZINC000133051919 544254144 /nfs/dbraw/zinc/25/41/44/544254144.db2.gz DMYMZZCQYLNVTO-GOSISDBHSA-N 0 3 365.518 2.276 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136057095 544365483 /nfs/dbraw/zinc/36/54/83/544365483.db2.gz KHNQISBEWZDOAX-HZSPNIEDSA-N 0 3 360.433 2.118 20 30 FEEDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCC(=O)Nc1sccc1C#N)CC2 ZINC000152761823 544693098 /nfs/dbraw/zinc/69/30/98/544693098.db2.gz ZGMWJYFADQULJD-HUUCEWRRSA-N 0 3 363.483 2.200 20 30 FEEDHN CCOc1ccc(NC(=O)[C@@H](C)N(C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000153321156 544761916 /nfs/dbraw/zinc/76/19/16/544761916.db2.gz JEXYMZFIPGGWQY-CYBMUJFWSA-N 0 3 370.457 2.154 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CNc1cccc(C#N)c1 ZINC000153416112 544773734 /nfs/dbraw/zinc/77/37/34/544773734.db2.gz LAAGDUHKPKKITQ-UHFFFAOYSA-N 0 3 361.449 2.432 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)N1CCC[C@@H](C)C1 ZINC000154511862 544916203 /nfs/dbraw/zinc/91/62/03/544916203.db2.gz UCHXRLDOWJZISS-OLZOCXBDSA-N 0 3 362.861 2.387 20 30 FEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000189309605 328140225 /nfs/dbraw/zinc/14/02/25/328140225.db2.gz JIZJDHHLZOJWND-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000191248501 328256155 /nfs/dbraw/zinc/25/61/55/328256155.db2.gz IULGTXIBZVZMII-KDOFPFPSSA-N 0 3 350.422 2.304 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193446242 328376064 /nfs/dbraw/zinc/37/60/64/328376064.db2.gz BVAUPTLKQSZAQW-UHFFFAOYSA-N 0 3 358.486 2.175 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)N(C)C ZINC000054848901 324766464 /nfs/dbraw/zinc/76/64/64/324766464.db2.gz JPDRWAWGMWXFMY-MRXNPFEDSA-N 0 3 374.485 2.376 20 30 FEEDHN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000083537917 325218648 /nfs/dbraw/zinc/21/86/48/325218648.db2.gz KXDGUYWYQWFQGE-NSHDSACASA-N 0 3 361.389 2.197 20 30 FEEDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000118118006 326082806 /nfs/dbraw/zinc/08/28/06/326082806.db2.gz RTEVXNVJCAVLII-AWEZNQCLSA-N 0 3 360.458 2.130 20 30 FEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000118399214 326090526 /nfs/dbraw/zinc/09/05/26/326090526.db2.gz JPANMOKPHUSOEB-QGZVFWFLSA-N 0 3 354.498 2.495 20 30 FEEDHN CCC[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CCN1CCOC ZINC000121918091 326375939 /nfs/dbraw/zinc/37/59/39/326375939.db2.gz LQOWLKRKKNKPNZ-GOSISDBHSA-N 0 3 358.486 2.320 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000122464481 326397799 /nfs/dbraw/zinc/39/77/99/326397799.db2.gz MMMWXIQUZWSANF-CQSZACIVSA-N 0 3 351.447 2.194 20 30 FEEDHN CCc1cc(N2CCC[C@H](NCc3cnc4ccc(C#N)cn34)C2)ncn1 ZINC000123744946 326441596 /nfs/dbraw/zinc/44/15/96/326441596.db2.gz YPEPFTOGRJKYFC-KRWDZBQOSA-N 0 3 361.453 2.317 20 30 FEEDHN CCO[C@H]1C[C@H](O)C12CCN(CCC(=O)Nc1sccc1C#N)CC2 ZINC000152761715 326715893 /nfs/dbraw/zinc/71/58/93/326715893.db2.gz ZGMWJYFADQULJD-GJZGRUSLSA-N 0 3 363.483 2.200 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000162398286 327024710 /nfs/dbraw/zinc/02/47/10/327024710.db2.gz NDRNKPLLJMKODD-QGZVFWFLSA-N 0 3 365.474 2.477 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000267289187 329310860 /nfs/dbraw/zinc/31/08/60/329310860.db2.gz QWOBMMPFGCJPNF-BEFAXECRSA-N 0 3 370.478 2.142 20 30 FEEDHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269125145 329488294 /nfs/dbraw/zinc/48/82/94/329488294.db2.gz TXHKVKWJAZXFKO-UHFFFAOYSA-N 0 3 374.828 2.334 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2sccc2C#N)C[C@@H]1N1CCCC1 ZINC000274046074 329910808 /nfs/dbraw/zinc/91/08/08/329910808.db2.gz NQMHUBFUEHUQGG-UONOGXRCSA-N 0 3 350.513 2.070 20 30 FEEDHN N#Cc1cc(NCCCN2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000274244711 329930284 /nfs/dbraw/zinc/93/02/84/329930284.db2.gz VPCOXUKHANGGIH-UHFFFAOYSA-N 0 3 366.425 2.486 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000367110189 330217982 /nfs/dbraw/zinc/21/79/82/330217982.db2.gz WOUCEJNXAIXUTH-GHTZIAJQSA-N 0 3 352.434 2.112 20 30 FEEDHN CC(C)CC(=O)N1CCC(CN2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000367260118 330237495 /nfs/dbraw/zinc/23/74/95/330237495.db2.gz ZUENLEHUHVKDCL-UHFFFAOYSA-N 0 3 369.513 2.360 20 30 FEEDHN C[C@H](OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1nccn1C ZINC000805852744 674357666 /nfs/dbraw/zinc/35/76/66/674357666.db2.gz AZWDSRFENXAJNF-FZMZJTMJSA-N 0 3 360.801 2.499 20 30 FEEDHN C=C(C)CNC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000156518299 545632327 /nfs/dbraw/zinc/63/23/27/545632327.db2.gz DNSVXFGOYDAXRE-GOSISDBHSA-N 0 3 357.502 2.201 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2cccnn2)CC1)C(C)C ZINC000171011085 546185477 /nfs/dbraw/zinc/18/54/77/546185477.db2.gz RHKQWIVOZIRBJF-GOSISDBHSA-N 0 3 372.517 2.007 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000171716610 546220635 /nfs/dbraw/zinc/22/06/35/546220635.db2.gz FDHXRNMJUFNBQO-SFHVURJKSA-N 0 3 355.482 2.305 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(Cn3cccn3)cc2)CC1 ZINC000171713639 546221008 /nfs/dbraw/zinc/22/10/08/546221008.db2.gz CFQYTSMWIBQATK-UHFFFAOYSA-N 0 3 353.470 2.381 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccc(Cn3cccn3)c2)CC1 ZINC000171721420 546221477 /nfs/dbraw/zinc/22/14/77/546221477.db2.gz KSNXMQPBDQLUOA-UHFFFAOYSA-N 0 3 353.470 2.381 20 30 FEEDHN N#CCCCCNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000171740313 546223568 /nfs/dbraw/zinc/22/35/68/546223568.db2.gz IQTVHQDZXUVWJY-UHFFFAOYSA-N 0 3 357.502 2.187 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2OCC2CC2)CC1 ZINC000173272349 546277100 /nfs/dbraw/zinc/27/71/00/546277100.db2.gz JXNMLHAULQYQMB-UHFFFAOYSA-N 0 3 357.454 2.181 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000175588273 546316258 /nfs/dbraw/zinc/31/62/58/546316258.db2.gz UWGZSXHHBXNGKH-IBGZPJMESA-N 0 3 369.481 2.492 20 30 FEEDHN CCCN1CCC(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000481037073 561223394 /nfs/dbraw/zinc/22/33/94/561223394.db2.gz LTIFNANOIKLJQJ-UHFFFAOYSA-N 0 3 353.463 2.239 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000178561129 546812085 /nfs/dbraw/zinc/81/20/85/546812085.db2.gz IQYUJFAZASOMRW-UHFFFAOYSA-N 0 3 355.486 2.358 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000481782579 561242161 /nfs/dbraw/zinc/24/21/61/561242161.db2.gz YGLYBVZETQDAIJ-HZPDHXFCSA-N 0 3 363.527 2.499 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](c2ccccc2)C2CC2)CC1 ZINC000179692687 546999907 /nfs/dbraw/zinc/99/99/07/546999907.db2.gz NBIHQRJAXBXWSF-FPOVZHCZSA-N 0 3 354.498 2.420 20 30 FEEDHN Cn1cc(CNCCN2CCOCC2(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180164494 547061955 /nfs/dbraw/zinc/06/19/55/547061955.db2.gz BQWYWXBADFNKOO-UHFFFAOYSA-N 0 3 353.470 2.159 20 30 FEEDHN C=CCOc1cccc(CN2CCC(C(=O)NCC(=O)OCC)CC2)c1 ZINC000180770658 547177342 /nfs/dbraw/zinc/17/73/42/547177342.db2.gz KNXMDTJUJBXTQH-UHFFFAOYSA-N 0 3 360.454 2.143 20 30 FEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181640538 547350439 /nfs/dbraw/zinc/35/04/39/547350439.db2.gz BFQRYOQSJYGFEY-HOTGVXAUSA-N 0 3 362.493 2.309 20 30 FEEDHN N#Cc1cc(F)c(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c(F)c1 ZINC000183426867 547656894 /nfs/dbraw/zinc/65/68/94/547656894.db2.gz HUBYLVDSLZGVFV-INIZCTEOSA-N 0 3 371.387 2.333 20 30 FEEDHN CCO[C@H]1COCC[C@@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000484636136 561301673 /nfs/dbraw/zinc/30/16/73/561301673.db2.gz BQKYKUSAKIESQI-HKUYNNGSSA-N 0 3 359.470 2.334 20 30 FEEDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000484654819 561302491 /nfs/dbraw/zinc/30/24/91/561302491.db2.gz SAVLGKNDVDSRHJ-MYTOGIIISA-N 0 3 351.491 2.089 20 30 FEEDHN CC(C)OC(=O)C[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000184498949 547837140 /nfs/dbraw/zinc/83/71/40/547837140.db2.gz SLVIATURDDFWHL-MSOLQXFVSA-N 0 3 360.454 2.352 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000184607592 547853424 /nfs/dbraw/zinc/85/34/24/547853424.db2.gz CURBKWUNFMPGCI-UHFFFAOYSA-N 0 3 358.442 2.332 20 30 FEEDHN CN(C)CCOC1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000485114402 561312906 /nfs/dbraw/zinc/31/29/06/561312906.db2.gz BBHWFHRRFRXZPC-UHFFFAOYSA-N 0 3 361.511 2.361 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN([C@H](C)c3nccs3)CC2)CC1 ZINC000184868918 547890731 /nfs/dbraw/zinc/89/07/31/547890731.db2.gz XLSMLOQBMPTXQP-OAHLLOKOSA-N 0 3 363.531 2.182 20 30 FEEDHN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1COc2ccccc21 ZINC000185582819 548005236 /nfs/dbraw/zinc/00/52/36/548005236.db2.gz ISDQJRPMEKMTST-KDOFPFPSSA-N 0 3 356.447 2.486 20 30 FEEDHN C#CCN1CCC(C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000186339741 548121788 /nfs/dbraw/zinc/12/17/88/548121788.db2.gz VHEXHODZQATVDC-OAQYLSRUSA-N 0 3 353.510 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)CC1 ZINC000188691632 548285357 /nfs/dbraw/zinc/28/53/57/548285357.db2.gz QCPVZAHBOVHDBB-UHFFFAOYSA-N 0 3 362.449 2.424 20 30 FEEDHN CCn1nccc1N1CCC[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)C1=O ZINC000191642572 548347421 /nfs/dbraw/zinc/34/74/21/548347421.db2.gz PPZWDBIZCHWQRN-CRAIPNDOSA-N 0 3 367.453 2.479 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192066468 548357538 /nfs/dbraw/zinc/35/75/38/548357538.db2.gz SWXZTGPKMGYMDO-NILFDRSVSA-N 0 3 351.834 2.160 20 30 FEEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000245408749 548910703 /nfs/dbraw/zinc/91/07/03/548910703.db2.gz ISRPDHJCCUYNEM-PZJWPPBQSA-N 0 3 354.498 2.391 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCN(C)[C@@H](C(C)C)C2)c(OC)c1 ZINC000487995901 561380879 /nfs/dbraw/zinc/38/08/79/561380879.db2.gz BFIVFGZIPXPCLE-RTBURBONSA-N 0 3 362.514 2.435 20 30 FEEDHN N#Cc1cccc(/C=C/C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000245586082 548952746 /nfs/dbraw/zinc/95/27/46/548952746.db2.gz MIQAVCYYQOYODJ-FUCIWNSQSA-N 0 3 361.445 2.323 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000246248509 549088470 /nfs/dbraw/zinc/08/84/70/549088470.db2.gz KVNWMXPIMNEGKG-IEBWSBKVSA-N 0 3 356.470 2.159 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O ZINC000246554923 549161279 /nfs/dbraw/zinc/16/12/79/549161279.db2.gz YPYHNTUFIGNXRQ-WMZOPIPTSA-N 0 3 354.454 2.024 20 30 FEEDHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000488860955 561398274 /nfs/dbraw/zinc/39/82/74/561398274.db2.gz YCLANHQXQZJZIB-ZIAGYGMSSA-N 0 3 353.463 2.344 20 30 FEEDHN C=CCn1cccc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000488894418 561399044 /nfs/dbraw/zinc/39/90/44/561399044.db2.gz CHUFZEXXFWLTHG-OAQYLSRUSA-N 0 3 353.466 2.383 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000248465699 549446622 /nfs/dbraw/zinc/44/66/22/549446622.db2.gz ZNKFLEYHROHXQM-CVEARBPZSA-N 0 3 358.442 2.284 20 30 FEEDHN COC(=O)CC1(NCc2ccc(C#N)cc2OC(F)F)CCOCC1 ZINC000489970097 561423694 /nfs/dbraw/zinc/42/36/94/561423694.db2.gz ZJMKCZSXWCTYQW-UHFFFAOYSA-N 0 3 354.353 2.362 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@](C)(N)c2ccc(Br)cc2)CC1 ZINC000261629411 549736568 /nfs/dbraw/zinc/73/65/68/549736568.db2.gz BQFLQFBJYDIUQF-KRWDZBQOSA-N 0 3 366.303 2.390 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCc2nnc(C)n2C1)C(C)C ZINC000265460921 550010081 /nfs/dbraw/zinc/01/00/81/550010081.db2.gz VSMQIXNJFAYIKZ-ROUUACIJSA-N 0 3 374.533 2.147 20 30 FEEDHN CN(C)CCOc1ccc(CCNC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000266466045 550020829 /nfs/dbraw/zinc/02/08/29/550020829.db2.gz UWWKGZPAKMSPAY-UHFFFAOYSA-N 0 3 370.457 2.101 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc3ccc(C)nc32)CC1 ZINC000266767319 550023996 /nfs/dbraw/zinc/02/39/96/550023996.db2.gz UPMSSJHNCLAQTN-UHFFFAOYSA-N 0 3 352.438 2.248 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2nc(-c3ccncc3)cs2)CC1 ZINC000266972360 550025879 /nfs/dbraw/zinc/02/58/79/550025879.db2.gz OVDMCZNXNIXPEN-UHFFFAOYSA-N 0 3 354.479 2.209 20 30 FEEDHN CCOc1ccccc1NC(=O)CON=C(N)c1ccc(CN(C)C)cc1 ZINC000267006833 550026863 /nfs/dbraw/zinc/02/68/63/550026863.db2.gz KEQLPBOATVJWKN-UHFFFAOYSA-N 0 3 370.453 2.423 20 30 FEEDHN CCCN(CC)CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000267042032 550027369 /nfs/dbraw/zinc/02/73/69/550027369.db2.gz JWZZZOTXKAHPMH-UHFFFAOYSA-N 0 3 360.458 2.156 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)CC1 ZINC000268067224 550037456 /nfs/dbraw/zinc/03/74/56/550037456.db2.gz VLTYBCXOQWJVMS-HNNXBMFYSA-N 0 3 359.474 2.486 20 30 FEEDHN N#CCc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000270862207 550314705 /nfs/dbraw/zinc/31/47/05/550314705.db2.gz NEAOGIQLCXOUPE-NHCUHLMSSA-N 0 3 363.461 2.365 20 30 FEEDHN Cc1cc(NC(=O)NCc2cccc(OCCN(C)C)c2)nn1CCC#N ZINC000272056042 550419384 /nfs/dbraw/zinc/41/93/84/550419384.db2.gz IBSVHXYNOFLELV-UHFFFAOYSA-N 0 3 370.457 2.367 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000274439209 550537666 /nfs/dbraw/zinc/53/76/66/550537666.db2.gz IKWPDJDMBVSAIR-CVEARBPZSA-N 0 3 360.454 2.478 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](N2CCCC2=O)C1)C(C)C ZINC000276661626 550582836 /nfs/dbraw/zinc/58/28/36/550582836.db2.gz QLXWSPQHQDFRCO-QZTJIDSGSA-N 0 3 362.518 2.091 20 30 FEEDHN NC(=NOCc1nnc2n1CCCC2)c1cccc(CN2CCCCC2)c1 ZINC000278206435 550760670 /nfs/dbraw/zinc/76/06/70/550760670.db2.gz GIYKOGUDSUJZRZ-UHFFFAOYSA-N 0 3 368.485 2.437 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC[C@@H]2O)cc1 ZINC000278567794 550799906 /nfs/dbraw/zinc/79/99/06/550799906.db2.gz IXJYWJSMBLSFCI-IOASZLSFSA-N 0 3 365.455 2.045 20 30 FEEDHN CC1(C)COCCN1CCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278673394 550809990 /nfs/dbraw/zinc/80/99/90/550809990.db2.gz OJVVQDDXAQKIDF-UHFFFAOYSA-N 0 3 368.485 2.059 20 30 FEEDHN N#Cc1c(NC(=O)CCN2CC[C@@]3(CNC(=O)C3)C2)sc2c1CCCC2 ZINC000278919339 550836185 /nfs/dbraw/zinc/83/61/85/550836185.db2.gz RIMJQXGAZUWDEK-LJQANCHMSA-N 0 3 372.494 2.039 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000278982974 550843226 /nfs/dbraw/zinc/84/32/26/550843226.db2.gz ZKHWDZNWUZQYJR-CQSZACIVSA-N 0 3 359.474 2.044 20 30 FEEDHN CCOCCO[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279357973 550881071 /nfs/dbraw/zinc/88/10/71/550881071.db2.gz GXRMMAOGKATLIM-IBGZPJMESA-N 0 3 369.469 2.486 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]4CN(C)CC[C@H]43)CC2)o1 ZINC000280056639 550956869 /nfs/dbraw/zinc/95/68/69/550956869.db2.gz WOBAZNDWTZYXNB-SJLPKXTDSA-N 0 3 371.485 2.014 20 30 FEEDHN COC(=O)[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C ZINC000280216561 550972255 /nfs/dbraw/zinc/97/22/55/550972255.db2.gz ABPWDBFMBLYADG-BXUZGUMPSA-N 0 3 361.467 2.178 20 30 FEEDHN C=CCCCNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000280403987 550990015 /nfs/dbraw/zinc/99/00/15/550990015.db2.gz HIDBJHYAWYLQBN-UHFFFAOYSA-N 0 3 370.497 2.240 20 30 FEEDHN Cc1cccc(OC[C@H](O)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280485515 550999212 /nfs/dbraw/zinc/99/92/12/550999212.db2.gz VEUSGKBUJRNMIT-RBUKOAKNSA-N 0 3 363.417 2.105 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](OCc3ccccn3)C2)cc1 ZINC000280492269 550999693 /nfs/dbraw/zinc/99/96/93/550999693.db2.gz VSLVUMOTGLTRTK-QUCCMNQESA-N 0 3 360.417 2.453 20 30 FEEDHN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280584961 551010117 /nfs/dbraw/zinc/01/01/17/551010117.db2.gz WHOKMJIDUQQKNK-SQNIBIBYSA-N 0 3 352.438 2.004 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(N)=S)cc1 ZINC000281171012 551070354 /nfs/dbraw/zinc/07/03/54/551070354.db2.gz IVPPXYVOLGFZMV-UHFFFAOYSA-N 0 3 366.490 2.396 20 30 FEEDHN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000281522494 551108443 /nfs/dbraw/zinc/10/84/43/551108443.db2.gz SMBLUSRAIUUWMT-GOSISDBHSA-N 0 3 372.513 2.234 20 30 FEEDHN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000282216939 551196568 /nfs/dbraw/zinc/19/65/68/551196568.db2.gz IHYXBXITZGGAPP-UHFFFAOYSA-N 0 3 372.517 2.155 20 30 FEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000282514810 551240176 /nfs/dbraw/zinc/24/01/76/551240176.db2.gz FYUNSZKBCFIHJF-UHFFFAOYSA-N 0 3 356.474 2.008 20 30 FEEDHN CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 ZINC000283992909 551463811 /nfs/dbraw/zinc/46/38/11/551463811.db2.gz DECKJOXSNPWHJV-NHCUHLMSSA-N 0 3 365.477 2.157 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000284093370 551482194 /nfs/dbraw/zinc/48/21/94/551482194.db2.gz MKHDZCQLNNTSHL-GOSISDBHSA-N 0 3 369.509 2.379 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H](CC)c1ccncc1)C(C)C ZINC000284179642 551499181 /nfs/dbraw/zinc/49/91/81/551499181.db2.gz UWRGCDZORKJKFW-OALUTQOASA-N 0 3 372.513 2.464 20 30 FEEDHN C(#CCN1CCC[C@@H](c2ncc[nH]2)C1)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000284235138 551506732 /nfs/dbraw/zinc/50/67/32/551506732.db2.gz VICFPGGLNMAGOE-QZTJIDSGSA-N 0 3 352.486 2.195 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000284412897 551543929 /nfs/dbraw/zinc/54/39/29/551543929.db2.gz XJUMOGKDKLYUJG-UHOSZYNNSA-N 0 3 364.440 2.354 20 30 FEEDHN CN(CCC#N)c1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000285435870 551756637 /nfs/dbraw/zinc/75/66/37/551756637.db2.gz HSYUMUNVMWGTIG-QGZVFWFLSA-N 0 3 370.419 2.389 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1CCC[C@H]1CCO ZINC000285585272 551778875 /nfs/dbraw/zinc/77/88/75/551778875.db2.gz BEMOAPPIRYHCST-YESZJQIVSA-N 0 3 359.470 2.471 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285926044 551828127 /nfs/dbraw/zinc/82/81/27/551828127.db2.gz TXYFMJFHGBDDFA-CJNGLKHVSA-N 0 3 356.470 2.294 20 30 FEEDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCCCC#N)CCN1Cc1ccccc1 ZINC000286363157 551878865 /nfs/dbraw/zinc/87/88/65/551878865.db2.gz CNGDKHZVZXXILS-HKUYNNGSSA-N 0 3 370.497 2.308 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000286468591 551889228 /nfs/dbraw/zinc/88/92/28/551889228.db2.gz ILXJIGCNUPVIMX-IEBWSBKVSA-N 0 3 369.509 2.233 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 ZINC000286581757 551902293 /nfs/dbraw/zinc/90/22/93/551902293.db2.gz ZKVICGOOXASFAS-AYBZRNKSSA-N 0 3 357.454 2.037 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@]2(CCCOC2)C1)C(C)C ZINC000287032456 551954178 /nfs/dbraw/zinc/95/41/78/551954178.db2.gz HAXZCXAHXODUOU-QUCCMNQESA-N 0 3 365.518 2.276 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H]2CCO)cc1 ZINC000287402529 551999618 /nfs/dbraw/zinc/99/96/18/551999618.db2.gz SWAIGQXEUVPRIA-IOASZLSFSA-N 0 3 365.455 2.045 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287503151 552012682 /nfs/dbraw/zinc/01/26/82/552012682.db2.gz UPQDNANVOCIGPH-QIIPPGSGSA-N 0 3 356.445 2.123 20 30 FEEDHN CCOC(=O)CC(C)(C)CCN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000287756744 552042715 /nfs/dbraw/zinc/04/27/15/552042715.db2.gz LZGVPRIGOINSSE-OAHLLOKOSA-N 0 3 359.474 2.228 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000288144852 552099283 /nfs/dbraw/zinc/09/92/83/552099283.db2.gz LRMKEMOKXXSIFF-WBMJQRKESA-N 0 3 360.845 2.235 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000289299392 552297335 /nfs/dbraw/zinc/29/73/35/552297335.db2.gz ZHHJLLBNMKCPMP-UHFFFAOYSA-N 0 3 370.478 2.289 20 30 FEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCN(c2ccnc3ccccc32)CC1 ZINC000289397299 552314330 /nfs/dbraw/zinc/31/43/30/552314330.db2.gz RPZYXBRLKOJBFR-INIZCTEOSA-N 0 3 351.454 2.117 20 30 FEEDHN C#CC[C@]1(C(=O)NCC2=CCN(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000289499516 552331400 /nfs/dbraw/zinc/33/14/00/552331400.db2.gz SSKZOTXFIQTVFO-HXUWFJFHSA-N 0 3 361.486 2.158 20 30 FEEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000289599342 552347536 /nfs/dbraw/zinc/34/75/36/552347536.db2.gz IOAUBZXNFQJPOB-INIZCTEOSA-N 0 3 368.485 2.216 20 30 FEEDHN C=CCn1c(SC[C@@H](O)CN(C)C2CC2)nc2sccc2c1=O ZINC000290499289 552488892 /nfs/dbraw/zinc/48/88/92/552488892.db2.gz ANKHHERHLQEBAL-LBPRGKRZSA-N 0 3 351.497 2.191 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000290963100 552569432 /nfs/dbraw/zinc/56/94/32/552569432.db2.gz OQDLAWIDIKDOGK-UHFFFAOYSA-N 0 3 357.458 2.461 20 30 FEEDHN C[C@H](N[C@@H](C)c1ccc(N2CCCNC2=O)cc1)C(=O)N(C)CCC#N ZINC000291195994 552598676 /nfs/dbraw/zinc/59/86/76/552598676.db2.gz JHRGFHDMWKUGRJ-GJZGRUSLSA-N 0 3 357.458 2.017 20 30 FEEDHN CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292158089 552699392 /nfs/dbraw/zinc/69/93/92/552699392.db2.gz KRSDFJQUNURNBE-DNVCBOLYSA-N 0 3 360.433 2.145 20 30 FEEDHN CCCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)[N-]C2CCC2)cc1 ZINC000292411831 552724456 /nfs/dbraw/zinc/72/44/56/552724456.db2.gz YSCGUSDLEPVADF-UHFFFAOYSA-O 0 3 358.491 2.136 20 30 FEEDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292904269 552769830 /nfs/dbraw/zinc/76/98/30/552769830.db2.gz WIOPMBYSSYSWHY-MRXNPFEDSA-N 0 3 353.875 2.318 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC000293086055 552787621 /nfs/dbraw/zinc/78/76/21/552787621.db2.gz QUKBJEGSSKLPOG-KRWDZBQOSA-N 0 3 365.437 2.091 20 30 FEEDHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2sccc2C#N)c1 ZINC000293194273 552797860 /nfs/dbraw/zinc/79/78/60/552797860.db2.gz VUOIETOGPJHYBA-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000293322949 552811256 /nfs/dbraw/zinc/81/12/56/552811256.db2.gz IVYSNXRNRHEUKD-UHFFFAOYSA-N 0 3 353.875 2.072 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000293372056 552816826 /nfs/dbraw/zinc/81/68/26/552816826.db2.gz MIPIYHSAEYWICT-UHFFFAOYSA-N 0 3 355.410 2.011 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000293493022 552829234 /nfs/dbraw/zinc/82/92/34/552829234.db2.gz WMBYTIBZTLAFHM-UHFFFAOYSA-N 0 3 360.216 2.142 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H]1N1CCCC1 ZINC000293514555 552831592 /nfs/dbraw/zinc/83/15/92/552831592.db2.gz OCHZZEAEBKOWCR-MSOLQXFVSA-N 0 3 358.511 2.276 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCCN3C3CCCC3)C2)nc1 ZINC000293734910 552851534 /nfs/dbraw/zinc/85/15/34/552851534.db2.gz NPWGZCONMBZPKE-ZWKOTPCHSA-N 0 3 354.454 2.340 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(N3CCOCC3)c2)cc1 ZINC000293816293 552859232 /nfs/dbraw/zinc/85/92/32/552859232.db2.gz RCXKUPSLECBFCC-FQEVSTJZSA-N 0 3 374.444 2.394 20 30 FEEDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294243631 552890733 /nfs/dbraw/zinc/89/07/33/552890733.db2.gz PLRYHWPSJUYSFI-DLBZAZTESA-N 0 3 351.447 2.086 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cn(-c3cccc(OC)c3)nn2)CC1 ZINC000294436675 552905996 /nfs/dbraw/zinc/90/59/96/552905996.db2.gz AUDDZFQUZZRNJA-UHFFFAOYSA-N 0 3 355.442 2.046 20 30 FEEDHN CC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(C(=O)OC)cc1 ZINC000294709189 552928715 /nfs/dbraw/zinc/92/87/15/552928715.db2.gz JNTPKGZOTSYMKP-BQASMSSTSA-N 0 3 357.410 2.040 20 30 FEEDHN CC(C)N1CCN(c2ccc(C(=O)N(CCC#N)CCC#N)cc2)CC1 ZINC000501895305 561607569 /nfs/dbraw/zinc/60/75/69/561607569.db2.gz YXLZKGGTVNUQML-UHFFFAOYSA-N 0 3 353.470 2.487 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295205515 552970029 /nfs/dbraw/zinc/97/00/29/552970029.db2.gz LKQSWGFVHLTZKY-OAHLLOKOSA-N 0 3 372.494 2.335 20 30 FEEDHN CN(C)Cc1ccccc1CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000296114365 553106697 /nfs/dbraw/zinc/10/66/97/553106697.db2.gz YAVCAARZVKOMAK-UHFFFAOYSA-N 0 3 361.442 2.379 20 30 FEEDHN COC1CCN(C2(CNC(=O)c3ccc(C#N)c(C)n3)CCCC2)CC1 ZINC000502576021 561621425 /nfs/dbraw/zinc/62/14/25/561621425.db2.gz RJRNFZFPIQOXPB-UHFFFAOYSA-N 0 3 356.470 2.415 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000296446931 553161145 /nfs/dbraw/zinc/16/11/45/553161145.db2.gz OUBSGKLAQCJQEM-ZDUSSCGKSA-N 0 3 351.422 2.158 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)c(OCCN(C)C)c1 ZINC000296462131 553163719 /nfs/dbraw/zinc/16/37/19/553163719.db2.gz ISWAYNFZAYQKDM-HOTGVXAUSA-N 0 3 372.469 2.073 20 30 FEEDHN C[C@@H]1CCN(C)CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000502977817 561631461 /nfs/dbraw/zinc/63/14/61/561631461.db2.gz BFWPIQZZAJGDNG-WBVHZDCISA-N 0 3 373.476 2.402 20 30 FEEDHN CCNC(=O)[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000298094558 553383493 /nfs/dbraw/zinc/38/34/93/553383493.db2.gz IJUAZDJSKAPGAB-INIZCTEOSA-N 0 3 350.850 2.291 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000298632420 553451816 /nfs/dbraw/zinc/45/18/16/553451816.db2.gz USTZLTWEUUJKIW-UHFFFAOYSA-N 0 3 373.497 2.010 20 30 FEEDHN C[C@@H](C#N)CN(C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000298654546 553454770 /nfs/dbraw/zinc/45/47/70/553454770.db2.gz CRWKTQIVEKXFFZ-HKUYNNGSSA-N 0 3 357.502 2.166 20 30 FEEDHN C#CCCN1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000299529182 553576200 /nfs/dbraw/zinc/57/62/00/553576200.db2.gz DOHLAYBRWHAKSC-UHFFFAOYSA-N 0 3 364.287 2.419 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(Sc3nncn3C)cc2)CC1 ZINC000299537337 553577575 /nfs/dbraw/zinc/57/75/75/553577575.db2.gz PRNUVTSMUUJUCI-UHFFFAOYSA-N 0 3 355.467 2.250 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)C(C)C ZINC000299664795 553599451 /nfs/dbraw/zinc/59/94/51/553599451.db2.gz WXIQUDOBOXHTQP-INIZCTEOSA-N 0 3 363.462 2.305 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000312040118 553756024 /nfs/dbraw/zinc/75/60/24/553756024.db2.gz VREZJWFVBLLXNZ-KRWDZBQOSA-N 0 3 370.478 2.062 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328697681 553808885 /nfs/dbraw/zinc/80/88/85/553808885.db2.gz DRBFSHMKXAKZAF-AFYVEPGGSA-N 0 3 371.481 2.184 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]4CCCC[C@@H]43)CC2)o1 ZINC000328777762 553820772 /nfs/dbraw/zinc/82/07/72/553820772.db2.gz DGQWMJUEKUXLKJ-WMZOPIPTSA-N 0 3 371.485 2.158 20 30 FEEDHN CN(C(=O)NC(C)(C)CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000328898392 553840869 /nfs/dbraw/zinc/84/08/69/553840869.db2.gz WQIGDDBQHYOYOF-HNNXBMFYSA-N 0 3 359.536 2.064 20 30 FEEDHN CN1C(=O)C[C@@H](NC(=O)N2CCCN(C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000329096670 553879628 /nfs/dbraw/zinc/87/96/28/553879628.db2.gz YHXVZOSMJHVIPS-WBVHZDCISA-N 0 3 364.877 2.163 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)[C@H]2C1 ZINC000329172289 553895255 /nfs/dbraw/zinc/89/52/55/553895255.db2.gz AFSJWWAVOFEITA-MDZRGWNJSA-N 0 3 356.445 2.076 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)[C@@H]2C1 ZINC000329296264 553919888 /nfs/dbraw/zinc/91/98/88/553919888.db2.gz STZPWTDYSNWWOH-IIAWOOMASA-N 0 3 363.893 2.254 20 30 FEEDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000329354881 553930629 /nfs/dbraw/zinc/93/06/29/553930629.db2.gz FKKIUOVEJNGFGQ-DJIMGWMZSA-N 0 3 371.547 2.458 20 30 FEEDHN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000329385947 553935907 /nfs/dbraw/zinc/93/59/07/553935907.db2.gz PMOQYAWCNKFCJN-NUJGCVRESA-N 0 3 358.486 2.496 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000329423210 553943811 /nfs/dbraw/zinc/94/38/11/553943811.db2.gz HSEWDRTZBIOOLE-MAUKXSAKSA-N 0 3 356.470 2.494 20 30 FEEDHN CN(C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@H]1CN2CCC1CC2 ZINC000329426964 553944149 /nfs/dbraw/zinc/94/41/49/553944149.db2.gz GPWZDVQQAQDFRB-HKUYNNGSSA-N 0 3 370.497 2.497 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329553799 553966312 /nfs/dbraw/zinc/96/63/12/553966312.db2.gz DHXONYQNOKESTJ-IAGOWNOFSA-N 0 3 360.506 2.132 20 30 FEEDHN N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)c(F)c1 ZINC000506850724 561709996 /nfs/dbraw/zinc/70/99/96/561709996.db2.gz IGXPZKSPTSAECA-INIZCTEOSA-N 0 3 356.445 2.267 20 30 FEEDHN CS[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1N1CCCC1 ZINC000329617183 553977095 /nfs/dbraw/zinc/97/70/95/553977095.db2.gz QBISQLOKYYXHKF-IRXDYDNUSA-N 0 3 364.559 2.183 20 30 FEEDHN CCN1CCC(NC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1 ZINC000329653310 553982732 /nfs/dbraw/zinc/98/27/32/553982732.db2.gz LFPNARJOAYGBBG-UHFFFAOYSA-N 0 3 373.436 2.489 20 30 FEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000329812230 554010198 /nfs/dbraw/zinc/01/01/98/554010198.db2.gz RXJVYGDOZCNNFH-NXOAAHMSSA-N 0 3 353.507 2.147 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000329815274 554010860 /nfs/dbraw/zinc/01/08/60/554010860.db2.gz NVWZFPPUJUTTSL-HNNXBMFYSA-N 0 3 374.460 2.405 20 30 FEEDHN Cc1ccc(CC(=O)N2CCN(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)CC2)cc1 ZINC000329821913 554012140 /nfs/dbraw/zinc/01/21/40/554012140.db2.gz YWKWIWBAYJRMNR-PKOBYXMFSA-N 0 3 372.513 2.078 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 ZINC000329829636 554014559 /nfs/dbraw/zinc/01/45/59/554014559.db2.gz SDXWBKFSOYJPGK-BFYDXBDKSA-N 0 3 374.460 2.261 20 30 FEEDHN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@H](C)CN3CCCCC3)CCO2)o1 ZINC000329921692 554032291 /nfs/dbraw/zinc/03/22/91/554032291.db2.gz STEFDBUMIQRFOU-CABCVRRESA-N 0 3 365.478 2.355 20 30 FEEDHN CC1CCN(CC(=O)N2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000329971646 554041529 /nfs/dbraw/zinc/04/15/29/554041529.db2.gz VQDSBUOMKBFZBM-UHFFFAOYSA-N 0 3 350.507 2.109 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000329977870 554042729 /nfs/dbraw/zinc/04/27/29/554042729.db2.gz GNKOJYUNVVRUAR-FSDCSDTHSA-N 0 3 351.470 2.162 20 30 FEEDHN CC(=O)N1CCC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000329999646 554046954 /nfs/dbraw/zinc/04/69/54/554046954.db2.gz VBPNGXOGZDATIO-QGZVFWFLSA-N 0 3 350.507 2.109 20 30 FEEDHN O=C(N[C@@H]1CC[S@@](=O)C1)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000330023901 554051354 /nfs/dbraw/zinc/05/13/54/554051354.db2.gz JHMVIMRPAIKROM-OFADQRRESA-N 0 3 361.511 2.207 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CN1C1CC1 ZINC000330086363 554062313 /nfs/dbraw/zinc/06/23/13/554062313.db2.gz MECRKHOSLVRQCZ-GDBMZVCRSA-N 0 3 372.517 2.333 20 30 FEEDHN Cc1nnc2n1C[C@@H](CNC(=O)N1CCN(C3CCCCC3)CC1)CC2 ZINC000330115570 554067189 /nfs/dbraw/zinc/06/71/89/554067189.db2.gz FSUXSLYDICKGTJ-MRXNPFEDSA-N 0 3 360.506 2.013 20 30 FEEDHN Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1CCN(C3CCCCC3)CC1)CC2 ZINC000330115570 554067191 /nfs/dbraw/zinc/06/71/91/554067191.db2.gz FSUXSLYDICKGTJ-MRXNPFEDSA-N 0 3 360.506 2.013 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1F ZINC000330197200 554083171 /nfs/dbraw/zinc/08/31/71/554083171.db2.gz RMHXLHQKCCDXFB-KBXCAEBGSA-N 0 3 363.458 2.335 20 30 FEEDHN C[C@H]1OCC[C@H]1NCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000330223576 554088194 /nfs/dbraw/zinc/08/81/94/554088194.db2.gz AIQIUOFOUVBQJS-RHSMWYFYSA-N 0 3 351.491 2.281 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000330236903 554091141 /nfs/dbraw/zinc/09/11/41/554091141.db2.gz UPLINMHSFSGCKD-LESCRADOSA-N 0 3 351.491 2.043 20 30 FEEDHN Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000330272287 554097383 /nfs/dbraw/zinc/09/73/83/554097383.db2.gz XJXXISGKXDXRHZ-KGLIPLIRSA-N 0 3 364.490 2.322 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000330568671 554139187 /nfs/dbraw/zinc/13/91/87/554139187.db2.gz WWTRGWZOGURJIS-WMZOPIPTSA-N 0 3 366.550 2.457 20 30 FEEDHN CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)CC)s2)C1 ZINC000330994590 554198499 /nfs/dbraw/zinc/19/84/99/554198499.db2.gz TYGUGUBWQROHNM-LBPRGKRZSA-N 0 3 359.517 2.030 20 30 FEEDHN C=CCn1c(CCc2ccco2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000508476712 561763173 /nfs/dbraw/zinc/76/31/73/561763173.db2.gz GGYDHTQZZNGXRE-UHFFFAOYSA-N 0 3 371.485 2.143 20 30 FEEDHN CC(=O)N1CCC[C@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000331076765 554209644 /nfs/dbraw/zinc/20/96/44/554209644.db2.gz WNWKDFVSTHFKOY-QGZVFWFLSA-N 0 3 352.523 2.213 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000331290633 554242462 /nfs/dbraw/zinc/24/24/62/554242462.db2.gz KFQRQACNMGLNDH-UONOGXRCSA-N 0 3 353.463 2.237 20 30 FEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308858 554245227 /nfs/dbraw/zinc/24/52/27/554245227.db2.gz XLAWEGWGLYKBEM-RYUDHWBXSA-N 0 3 357.380 2.368 20 30 FEEDHN CS[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1N(C)C ZINC000331410734 554260040 /nfs/dbraw/zinc/26/00/40/554260040.db2.gz GGKLBZLDUNSFDK-RCCFBDPRSA-N 0 3 358.511 2.031 20 30 FEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000332029112 554366957 /nfs/dbraw/zinc/36/69/57/554366957.db2.gz HITSRBXPCUKXSN-HOTGVXAUSA-N 0 3 356.470 2.070 20 30 FEEDHN CC1CCN(CCNC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000510565352 561839047 /nfs/dbraw/zinc/83/90/47/561839047.db2.gz LZAOUTDJXYPJDQ-UHFFFAOYSA-N 0 3 355.486 2.122 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)C3=CCN(C)CC3)C2)n1 ZINC000332907601 554540794 /nfs/dbraw/zinc/54/07/94/554540794.db2.gz ONMRMVCKRRHBHW-QFBILLFUSA-N 0 3 367.497 2.245 20 30 FEEDHN Cc1nnc([C@@H]2CCN([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119860 554575202 /nfs/dbraw/zinc/57/52/02/554575202.db2.gz HZTAIZCEQRZAES-RGUMBQAQSA-N 0 3 358.490 2.222 20 30 FEEDHN N#Cc1c(NC(=O)CCN2CCSC[C@H]2CCO)sc2c1CCC2 ZINC000333440195 554613518 /nfs/dbraw/zinc/61/35/18/554613518.db2.gz LQBNDNCQSIZFFG-GFCCVEGCSA-N 0 3 365.524 2.237 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000334005384 554667469 /nfs/dbraw/zinc/66/74/69/554667469.db2.gz UUWOTYVHAXGNOI-HOTGVXAUSA-N 0 3 350.507 2.116 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@H](c2ccc(C)cc2)N2CCCC2)C1=O ZINC000348427301 554684678 /nfs/dbraw/zinc/68/46/78/554684678.db2.gz SPBOXNOHKCSVSE-QZTJIDSGSA-N 0 3 357.454 2.255 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCCCN2Cc2ccccc2)C1=O ZINC000348456911 554685599 /nfs/dbraw/zinc/68/55/99/554685599.db2.gz CFGGMYVOGDIYMQ-ZWKOTPCHSA-N 0 3 357.454 2.164 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N([C@H](CN(C)Cc2ccccc2)C(C)C)C1=O ZINC000348577017 554689271 /nfs/dbraw/zinc/68/92/71/554689271.db2.gz LKGBJUOJTBQGLZ-QZTJIDSGSA-N 0 3 359.470 2.266 20 30 FEEDHN N#Cc1ccc(CNC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)o1 ZINC000362907483 554998495 /nfs/dbraw/zinc/99/84/95/554998495.db2.gz UAKRBDMWDWDVLH-LJQANCHMSA-N 0 3 367.405 2.072 20 30 FEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(CCN2CCOCC2)CC1 ZINC000363036209 555015415 /nfs/dbraw/zinc/01/54/15/555015415.db2.gz DMECFFXBOGSZFP-QGZVFWFLSA-N 0 3 370.497 2.320 20 30 FEEDHN CN1CCN(CCC2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000363344469 555082243 /nfs/dbraw/zinc/08/22/43/555082243.db2.gz DGOPKFFKGDUNHH-UHFFFAOYSA-N 0 3 354.498 2.242 20 30 FEEDHN C=CC[C@H](CO)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 ZINC000363785649 555186240 /nfs/dbraw/zinc/18/62/40/555186240.db2.gz ZMCYNQRELUSNMG-LMMKCTJWSA-N 0 3 361.486 2.314 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000364147208 555258701 /nfs/dbraw/zinc/25/87/01/555258701.db2.gz TXMSEDGKILSLHI-QWHCGFSZSA-N 0 3 373.432 2.371 20 30 FEEDHN N#Cc1ccc(OC2CCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)c(F)c1 ZINC000512801977 561915767 /nfs/dbraw/zinc/91/57/67/561915767.db2.gz PPILFEMJCJFFOT-HDICACEKSA-N 0 3 359.445 2.404 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCN(CC(F)(F)F)CC2)CC1 ZINC000365186890 555504897 /nfs/dbraw/zinc/50/48/97/555504897.db2.gz KGFBOXYCSPDHAG-UHFFFAOYSA-N 0 3 362.440 2.307 20 30 FEEDHN C=CCOc1ccc(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000513065844 561923894 /nfs/dbraw/zinc/92/38/94/561923894.db2.gz YGYOOIHDYNQTMV-MRXNPFEDSA-N 0 3 350.484 2.298 20 30 FEEDHN C=CCN(C(=O)COC[C@H]1CCOC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000365325901 555543053 /nfs/dbraw/zinc/54/30/53/555543053.db2.gz JFDDQNRPUFZHHC-PMACEKPBSA-N 0 3 358.482 2.329 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCC[C@@H]3CN(C)C)C2)n1 ZINC000365755826 555660584 /nfs/dbraw/zinc/66/05/84/555660584.db2.gz ZDPJQYPTNRXLLX-RBUKOAKNSA-N 0 3 369.513 2.421 20 30 FEEDHN CC[C@@](C)(C#N)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000513570429 561943227 /nfs/dbraw/zinc/94/32/27/561943227.db2.gz CIPCFOQBFDINAL-FQEVSTJZSA-N 0 3 358.486 2.215 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000366341941 555815960 /nfs/dbraw/zinc/81/59/60/555815960.db2.gz MNQLLJNGJYFNPF-QUCCMNQESA-N 0 3 367.449 2.427 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000366379964 555827360 /nfs/dbraw/zinc/82/73/60/555827360.db2.gz GNESXRDFWPGQCS-HKUYNNGSSA-N 0 3 358.401 2.162 20 30 FEEDHN N#Cc1c(F)ccc(CNC2CCN(S(=O)(=O)C3CC3)CC2)c1Cl ZINC000366774595 555930973 /nfs/dbraw/zinc/93/09/73/555930973.db2.gz SEILZVVCJYNALK-UHFFFAOYSA-N 0 3 371.865 2.397 20 30 FEEDHN C=CCOCCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000366785805 555933735 /nfs/dbraw/zinc/93/37/35/555933735.db2.gz RQOOYZAFDGVBBP-CALCHBBNSA-N 0 3 353.507 2.110 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000366832871 555946551 /nfs/dbraw/zinc/94/65/51/555946551.db2.gz PPJBCDYGZLLHDB-IEBWSBKVSA-N 0 3 374.460 2.047 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC3(CN(C)C)CCC3)C2)n1 ZINC000367005919 555995834 /nfs/dbraw/zinc/99/58/34/555995834.db2.gz WPUDLBFXVGPHOZ-KRWDZBQOSA-N 0 3 355.486 2.079 20 30 FEEDHN C[C@@H]1C[C@H](Nc2cc(S(N)(=O)=O)ccc2C#N)CN1Cc1ccccc1 ZINC000367338682 556022279 /nfs/dbraw/zinc/02/22/79/556022279.db2.gz CVHNIPSQJJSMAR-PBHICJAKSA-N 0 3 370.478 2.281 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC2)c1C ZINC000367460132 556056766 /nfs/dbraw/zinc/05/67/66/556056766.db2.gz YQIUXQVPSWTVLL-LAUBAEHRSA-N 0 3 368.481 2.197 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C ZINC000514763023 561978245 /nfs/dbraw/zinc/97/82/45/561978245.db2.gz YMJIBLUCYNQPMR-AWEZNQCLSA-N 0 3 360.458 2.129 20 30 FEEDHN N#Cc1ccc(OCCN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000367986240 556188535 /nfs/dbraw/zinc/18/85/35/556188535.db2.gz ISMPATGTAAFUMZ-IBGZPJMESA-N 0 3 371.462 2.252 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC1CCN(CCN2CCOCC2)CC1 ZINC000368083920 556214258 /nfs/dbraw/zinc/21/42/58/556214258.db2.gz BCTGWUHBFXLUAX-QGZVFWFLSA-N 0 3 358.486 2.186 20 30 FEEDHN CN1CC[C@@H](NCC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 ZINC000368230977 556254203 /nfs/dbraw/zinc/25/42/03/556254203.db2.gz HJVTXXNNWLUYKF-CTNGQTDRSA-N 0 3 366.440 2.349 20 30 FEEDHN CCCN1CCN(C2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000368353733 556285594 /nfs/dbraw/zinc/28/55/94/556285594.db2.gz JZXSLESOTAETPE-UHFFFAOYSA-N 0 3 357.458 2.463 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000369376010 556584383 /nfs/dbraw/zinc/58/43/83/556584383.db2.gz QUJNAENCKBCVLN-OALUTQOASA-N 0 3 374.448 2.063 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000369376012 556584653 /nfs/dbraw/zinc/58/46/53/556584653.db2.gz QUJNAENCKBCVLN-RTBURBONSA-N 0 3 374.448 2.063 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000369678087 556666315 /nfs/dbraw/zinc/66/63/15/556666315.db2.gz JLXYCURXVADXBE-HBFSDRIKSA-N 0 3 367.474 2.482 20 30 FEEDHN Cc1nc(C)n(C[C@@H]2CCCN2CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000369784683 556693715 /nfs/dbraw/zinc/69/37/15/556693715.db2.gz PWXVFCPDLJGRDA-SFHVURJKSA-N 0 3 352.442 2.260 20 30 FEEDHN CC[C@@H](CC#N)NC(=O)c1nnn(-c2cccc3c2CCN(CC)C3)c1C ZINC000370380983 556856105 /nfs/dbraw/zinc/85/61/05/556856105.db2.gz LDDXBUSHGDEYSP-INIZCTEOSA-N 0 3 366.469 2.376 20 30 FEEDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc(C#Cc2ccccc2)cc1 ZINC000516784710 562058071 /nfs/dbraw/zinc/05/80/71/562058071.db2.gz VZNVRBGNFAKIDR-HSZRJFAPSA-N 0 3 360.457 2.273 20 30 FEEDHN CN1CCC[C@@H](N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C1 ZINC000370879732 557000081 /nfs/dbraw/zinc/00/00/81/557000081.db2.gz XZXUPKSGCXJAOQ-UXHICEINSA-N 0 3 369.513 2.453 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)CC1 ZINC000370942577 557023697 /nfs/dbraw/zinc/02/36/97/557023697.db2.gz QRZKFWFTDSDJTI-BEFAXECRSA-N 0 3 374.554 2.123 20 30 FEEDHN COCCCN1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000371487306 557196893 /nfs/dbraw/zinc/19/68/93/557196893.db2.gz FIZXRIMRBRPABR-FQEVSTJZSA-N 0 3 370.497 2.098 20 30 FEEDHN C#CCOc1ccc(CN2CCC(CC(=O)N3CCOCC3)CC2)cc1 ZINC000372414272 557465302 /nfs/dbraw/zinc/46/53/02/557465302.db2.gz ZSICPFFVMQBVDO-UHFFFAOYSA-N 0 3 356.466 2.160 20 30 FEEDHN C=CCn1c(Cc2nc(C)cs2)nnc1N1CCN(CC2CC2)CC1 ZINC000519606380 562136704 /nfs/dbraw/zinc/13/67/04/562136704.db2.gz YUECPSHQADBJJD-UHFFFAOYSA-N 0 3 358.515 2.352 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000372901643 557585022 /nfs/dbraw/zinc/58/50/22/557585022.db2.gz CTDFZDWTVGAQQB-UHFFFAOYSA-N 0 3 360.458 2.267 20 30 FEEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC(=O)N(CCC#N)CCC#N)C1 ZINC000373909825 557784609 /nfs/dbraw/zinc/78/46/09/557784609.db2.gz DSLIRZGBMNPXDI-XWSJACJDSA-N 0 3 360.502 2.294 20 30 FEEDHN CCCCCCCS(=O)(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000374236272 557848250 /nfs/dbraw/zinc/84/82/50/557848250.db2.gz ADFPXSRNYBWCRL-SFHVURJKSA-N 0 3 359.580 2.387 20 30 FEEDHN C=CCS(=O)(=O)CCNC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000374647860 557911669 /nfs/dbraw/zinc/91/16/69/557911669.db2.gz OVRAREVRWAKXKW-GOOCMWNKSA-N 0 3 358.504 2.107 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000375275039 558002969 /nfs/dbraw/zinc/00/29/69/558002969.db2.gz BZJPLJAWRHTQJK-WIYYLYMNSA-N 0 3 368.481 2.197 20 30 FEEDHN CN1CCC[C@H](N2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)C1 ZINC000375694212 558068813 /nfs/dbraw/zinc/06/88/13/558068813.db2.gz WIDOGODAMUYIBV-PMACEKPBSA-N 0 3 354.498 2.312 20 30 FEEDHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)c(C#N)c1CC ZINC000375874804 558092275 /nfs/dbraw/zinc/09/22/75/558092275.db2.gz RSTWXCCJQPRAKA-INIZCTEOSA-N 0 3 356.518 2.078 20 30 FEEDHN CN1CCC[C@@H](N2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C1 ZINC000376173803 558136499 /nfs/dbraw/zinc/13/64/99/558136499.db2.gz PJZTVZXSXWBPKG-OAHLLOKOSA-N 0 3 358.877 2.076 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC3(C[C@H]3c3nnc(C)o3)CC2)CC1 ZINC000376229233 558144494 /nfs/dbraw/zinc/14/44/94/558144494.db2.gz XGGIBSHWSVASAL-INIZCTEOSA-N 0 3 359.474 2.308 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1 ZINC000376383765 558166250 /nfs/dbraw/zinc/16/62/50/558166250.db2.gz IEJQPFIUEYHBOR-CTWPCTMYSA-N 0 3 361.534 2.126 20 30 FEEDHN C=CCN(C(=O)NCC[C@@H]1CCC(=O)N1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000377265185 558301629 /nfs/dbraw/zinc/30/16/29/558301629.db2.gz LVCOKKRBOJPTTM-RBUKOAKNSA-N 0 3 370.497 2.127 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000377404156 558334406 /nfs/dbraw/zinc/33/44/06/558334406.db2.gz XPBLWOMUCLHAOU-FDQGKXFDSA-N 0 3 361.511 2.298 20 30 FEEDHN N#Cc1cccnc1N1CCCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000377453858 558343728 /nfs/dbraw/zinc/34/37/28/558343728.db2.gz SNLWKWVAJXUGFB-QGZVFWFLSA-N 0 3 372.494 2.105 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000522098532 562191326 /nfs/dbraw/zinc/19/13/26/562191326.db2.gz OJGUONTZRGRBNT-MOPGFXCFSA-N 0 3 358.482 2.242 20 30 FEEDHN CN1CC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000377650467 558386764 /nfs/dbraw/zinc/38/67/64/558386764.db2.gz IZAPGWKZPJDTJT-WOJBJXKFSA-N 0 3 369.490 2.367 20 30 FEEDHN CN(C1CCN(c2ccncc2)CC1)S(=O)(=O)CCC(C)(C)C#N ZINC000377866440 558437648 /nfs/dbraw/zinc/43/76/48/558437648.db2.gz XPPAVLOXQODMIF-UHFFFAOYSA-N 0 3 350.488 2.252 20 30 FEEDHN CCc1nc(CN2CCC[C@@H](N(C)C[C@@H](O)c3ccc(C#N)cc3)C2)no1 ZINC000378142236 558489937 /nfs/dbraw/zinc/48/99/37/558489937.db2.gz LTLVYFOLRPAXBZ-QZTJIDSGSA-N 0 3 369.469 2.133 20 30 FEEDHN COc1cc([O-])c(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000378456301 558561324 /nfs/dbraw/zinc/56/13/24/558561324.db2.gz TXBAHBYDYAUWQR-UHFFFAOYSA-N 0 3 368.437 2.435 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000378463435 558562956 /nfs/dbraw/zinc/56/29/56/558562956.db2.gz QLTOTZZCIKUZED-AVRDEDQJSA-N 0 3 368.525 2.075 20 30 FEEDHN Cn1cc(CN2CCC(C(=O)NC3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000378499631 558570659 /nfs/dbraw/zinc/57/06/59/558570659.db2.gz UZSXEKWREUKLOZ-UHFFFAOYSA-N 0 3 363.465 2.449 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N2CCC(N3CCCCC3)CC2)c1 ZINC000408009358 558637973 /nfs/dbraw/zinc/63/79/73/558637973.db2.gz HNPNVPZOPRAORF-UHFFFAOYSA-N 0 3 365.474 2.477 20 30 FEEDHN C[C@H](C(=O)Nc1ccc(OCCN2CCCCC2)cc1)n1cnc(C#N)n1 ZINC000409843310 558722727 /nfs/dbraw/zinc/72/27/27/558722727.db2.gz HHVIMWUTJHGYHD-OAHLLOKOSA-N 0 3 368.441 2.214 20 30 FEEDHN CN(CC(=O)OC(C)(C)C)[C@H]1CN(CCC2(C#N)CCCCC2)C[C@H]1O ZINC000411678043 558942198 /nfs/dbraw/zinc/94/21/98/558942198.db2.gz UKESFUJEMKDGQO-DLBZAZTESA-N 0 3 365.518 2.169 20 30 FEEDHN C=CC[C@@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000412469337 559037664 /nfs/dbraw/zinc/03/76/64/559037664.db2.gz WVXBZTCOEUJHPN-HXUWFJFHSA-N 0 3 371.525 2.259 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000412838199 559058126 /nfs/dbraw/zinc/05/81/26/559058126.db2.gz JMJUIRPNICRBQV-NVXWUHKLSA-N 0 3 365.495 2.272 20 30 FEEDHN Cc1cc(NCCCN2CCC[C@H]2C(=O)N(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413109811 559078891 /nfs/dbraw/zinc/07/88/91/559078891.db2.gz NOWPJBVDAFELQZ-INIZCTEOSA-N 0 3 359.430 2.130 20 30 FEEDHN Cc1cc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413215344 559089157 /nfs/dbraw/zinc/08/91/57/559089157.db2.gz AEOLJMVEHBQVOP-OAHLLOKOSA-N 0 3 357.458 2.380 20 30 FEEDHN Cc1cc(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413294669 559096321 /nfs/dbraw/zinc/09/63/21/559096321.db2.gz OPMSOWYJMQCCPI-MQVJKMGUSA-N 0 3 371.441 2.270 20 30 FEEDHN C=CCN(CC=C)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413840208 559134180 /nfs/dbraw/zinc/13/41/80/559134180.db2.gz WSSKLZNZDNFCKQ-UHFFFAOYSA-N 0 3 370.497 2.268 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000526919088 562269378 /nfs/dbraw/zinc/26/93/78/562269378.db2.gz UIZCNHASWIFGGU-ROUUACIJSA-N 0 3 364.449 2.290 20 30 FEEDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000415428043 559235388 /nfs/dbraw/zinc/23/53/88/559235388.db2.gz NZVSUZFCHTXEID-KBPBESRZSA-N 0 3 362.499 2.366 20 30 FEEDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000415505114 559244654 /nfs/dbraw/zinc/24/46/54/559244654.db2.gz XDATYVZBLHKHOM-CQSZACIVSA-N 0 3 371.466 2.254 20 30 FEEDHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000415833358 559276510 /nfs/dbraw/zinc/27/65/10/559276510.db2.gz HQBBGXTWVPLBDE-QGZVFWFLSA-N 0 3 350.422 2.184 20 30 FEEDHN C[C@@H](C#N)S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000416481893 559316511 /nfs/dbraw/zinc/31/65/11/559316511.db2.gz WIVUNYJRMIGWKT-FFZOFVMBSA-N 0 3 369.490 2.486 20 30 FEEDHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000418893817 559421226 /nfs/dbraw/zinc/42/12/26/559421226.db2.gz QCGADLJAKUCRQE-RJYAGPCLSA-N 0 3 370.497 2.372 20 30 FEEDHN N#CC1(CNC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCC1 ZINC000419457489 559443283 /nfs/dbraw/zinc/44/32/83/559443283.db2.gz WSUHITYFBHLLRB-UHFFFAOYSA-N 0 3 356.470 2.136 20 30 FEEDHN C=CCC[C@H](NC(=O)C(=O)N[C@H](C)CN)c1ccc(C(F)(F)F)cc1 ZINC000419473605 559444335 /nfs/dbraw/zinc/44/43/35/559444335.db2.gz LLPSBHWZWHZUPI-RISCZKNCSA-N 0 3 357.376 2.292 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)c(C#N)cn1CC ZINC000421179338 559529298 /nfs/dbraw/zinc/52/92/98/559529298.db2.gz ZTNIZCXDALJDSP-OCCSQVGLSA-N 0 3 361.446 2.161 20 30 FEEDHN COC(=O)Cc1sc(NC(=O)[C@@H](N)CCCC#N)nc1-c1ccccc1 ZINC000424101265 559654768 /nfs/dbraw/zinc/65/47/68/559654768.db2.gz JISSSYLZFNIHOE-ZDUSSCGKSA-N 0 3 372.450 2.485 20 30 FEEDHN CCC(CC)NC(=O)[C@H]1CN(C(=O)[C@@H](N)CCCC#N)c2ccccc2O1 ZINC000424117408 559655385 /nfs/dbraw/zinc/65/53/85/559655385.db2.gz YNZYLNNLMYZYSU-MAUKXSAKSA-N 0 3 372.469 2.107 20 30 FEEDHN COC(=O)[C@H](CNC(=O)[C@H](N)CCCC#N)Cc1cccc2ccccc21 ZINC000424122321 559655547 /nfs/dbraw/zinc/65/55/47/559655547.db2.gz JCXHGUFYVFFRDX-PKOBYXMFSA-N 0 3 367.449 2.309 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000424134959 559655748 /nfs/dbraw/zinc/65/57/48/559655748.db2.gz LIJWNPAVLUXEFY-INIZCTEOSA-N 0 3 352.841 2.144 20 30 FEEDHN N#Cc1ccc2ncc(CNCCNC(=O)CCCc3ccccc3)n2c1 ZINC000424193802 559657318 /nfs/dbraw/zinc/65/73/18/559657318.db2.gz WKIPJWMVHBOVHQ-UHFFFAOYSA-N 0 3 361.449 2.435 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)nn1 ZINC000425423105 559701334 /nfs/dbraw/zinc/70/13/34/559701334.db2.gz YQWVGSUNJCUKOP-RDJZCZTQSA-N 0 3 354.458 2.099 20 30 FEEDHN N#Cc1ccc(NC(=O)CN[C@@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425545937 559708915 /nfs/dbraw/zinc/70/89/15/559708915.db2.gz RLACAFPCUWQXTR-IBGZPJMESA-N 0 3 357.454 2.044 20 30 FEEDHN N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000425608215 559711516 /nfs/dbraw/zinc/71/15/16/559711516.db2.gz ICWVUGRRPLXJPD-ZWKOTPCHSA-N 0 3 356.470 2.135 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)nn1 ZINC000425880857 559723894 /nfs/dbraw/zinc/72/38/94/559723894.db2.gz SJRCAHVUPNXYBO-MRXNPFEDSA-N 0 3 362.865 2.220 20 30 FEEDHN CCCn1ccnc1CCCN(C)CC(=O)NCc1cccc(C#N)c1 ZINC000429241472 559793464 /nfs/dbraw/zinc/79/34/64/559793464.db2.gz MFBRJKXARZYRTM-UHFFFAOYSA-N 0 3 353.470 2.346 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(C#N)o2)CC1 ZINC000429858715 559807237 /nfs/dbraw/zinc/80/72/37/559807237.db2.gz JVWWAMGFYHEVLT-UHFFFAOYSA-N 0 3 352.438 2.219 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000433365393 559878726 /nfs/dbraw/zinc/87/87/26/559878726.db2.gz PPSKXGDDRDCCAV-LJQANCHMSA-N 0 3 366.465 2.354 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000433365392 559878734 /nfs/dbraw/zinc/87/87/34/559878734.db2.gz PPSKXGDDRDCCAV-IBGZPJMESA-N 0 3 366.465 2.354 20 30 FEEDHN CCOC(=O)C1(CNCc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434981429 559913794 /nfs/dbraw/zinc/91/37/94/559913794.db2.gz GKCIFCSKKMEDEJ-UHFFFAOYSA-N 0 3 353.426 2.292 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000437986899 559972533 /nfs/dbraw/zinc/97/25/33/559972533.db2.gz NTEOJTYOGDJWKO-SJLPKXTDSA-N 0 3 353.507 2.156 20 30 FEEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000438334685 559977492 /nfs/dbraw/zinc/97/74/92/559977492.db2.gz MPMRZHSGGLLDLX-RDJZCZTQSA-N 0 3 352.442 2.754 20 30 FEEDHN CN(C)CC1(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCC1 ZINC000439383464 559993147 /nfs/dbraw/zinc/99/31/47/559993147.db2.gz XBAZKEYDTAMOEU-UHFFFAOYSA-N 0 3 372.860 3.003 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000442107054 560044066 /nfs/dbraw/zinc/04/40/66/560044066.db2.gz DEUMHPLINFQBRF-MCIONIFRSA-N 0 3 353.463 2.342 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCCNC(=O)c2ccccc2)CC1 ZINC000527487445 562289715 /nfs/dbraw/zinc/28/97/15/562289715.db2.gz IEKBEDFLLINYNA-UHFFFAOYSA-N 0 3 358.486 2.146 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000443357939 560081896 /nfs/dbraw/zinc/08/18/96/560081896.db2.gz FOBMNRIMZAKIFE-MGPQQGTHSA-N 0 3 353.463 2.342 20 30 FEEDHN CCN(CCNS(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)C ZINC000444165563 560103680 /nfs/dbraw/zinc/10/36/80/560103680.db2.gz IFIQOABJBYXSJF-UHFFFAOYSA-N 0 3 374.304 2.329 20 30 FEEDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000444547473 560115458 /nfs/dbraw/zinc/11/54/58/560115458.db2.gz MYWJRAQTCGHLDV-SFHVURJKSA-N 0 3 353.422 2.306 20 30 FEEDHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CCCCC(C)(C)C#N)C1 ZINC000444602515 560116282 /nfs/dbraw/zinc/11/62/82/560116282.db2.gz KBLMZPWSQCTDPI-MRXNPFEDSA-N 0 3 351.491 2.440 20 30 FEEDHN C=CCNC(=O)Cc1noc(-c2ccc(N3CCN(C(C)C)CC3)cc2)n1 ZINC000445330924 560131999 /nfs/dbraw/zinc/13/19/99/560131999.db2.gz IHVFSISTIUMNKJ-UHFFFAOYSA-N 0 3 369.469 2.112 20 30 FEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000448323936 560184367 /nfs/dbraw/zinc/18/43/67/560184367.db2.gz ZVKISBKVQLUTAW-HNNXBMFYSA-N 0 3 362.861 2.387 20 30 FEEDHN C[C@H]1C[C@@]1(C#N)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000448739089 560197340 /nfs/dbraw/zinc/19/73/40/560197340.db2.gz SHOOGDGUORNWNR-RXVVDRJESA-N 0 3 354.498 2.250 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000448857577 560203286 /nfs/dbraw/zinc/20/32/86/560203286.db2.gz GHKJLGPBBBHZGN-HNNXBMFYSA-N 0 3 365.437 2.144 20 30 FEEDHN C[C@@H]1[C@H](NC(=O)COc2cccc(Br)c2C#N)CCCN1C ZINC000450547013 560265774 /nfs/dbraw/zinc/26/57/74/560265774.db2.gz LUOTZBZXGVSWRV-BXUZGUMPSA-N 0 3 366.259 2.298 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000450772319 560272788 /nfs/dbraw/zinc/27/27/88/560272788.db2.gz KWKDGJPNQIZGGQ-SFHVURJKSA-N 0 3 355.486 2.032 20 30 FEEDHN CC(=O)Nc1ccc(CN2CCC(Nc3nccnc3C#N)CC2)cc1 ZINC000450789989 560273388 /nfs/dbraw/zinc/27/33/88/560273388.db2.gz XIUFMUVKQSDDKK-UHFFFAOYSA-N 0 3 350.426 2.383 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000450856482 560275773 /nfs/dbraw/zinc/27/57/73/560275773.db2.gz ITVUTTZDZNRCFC-KZNAEPCWSA-N 0 3 360.479 2.269 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000451681283 560321732 /nfs/dbraw/zinc/32/17/32/560321732.db2.gz NXPSATZHUOFWBW-CVEARBPZSA-N 0 3 354.397 2.270 20 30 FEEDHN CC1(C)COC[C@@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451810500 560330123 /nfs/dbraw/zinc/33/01/23/560330123.db2.gz OWOXUJJVETYTLJ-HNNXBMFYSA-N 0 3 354.372 2.188 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3cccc(C)c3)CC2)o1 ZINC000452089389 560350481 /nfs/dbraw/zinc/35/04/81/560350481.db2.gz PXJPDVPVBFOLLN-HNNXBMFYSA-N 0 3 367.453 2.163 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1 ZINC000453616898 560391459 /nfs/dbraw/zinc/39/14/59/560391459.db2.gz HLRGLCKFGFXEAT-AWEZNQCLSA-N 0 3 356.470 2.432 20 30 FEEDHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@H]1N(C)C ZINC000453672766 560395487 /nfs/dbraw/zinc/39/54/87/560395487.db2.gz LMYKFYILRXWNTO-CZUORRHYSA-N 0 3 372.469 2.083 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](CC(C)C)CN2CCCC2)c1 ZINC000453809180 560405354 /nfs/dbraw/zinc/40/53/54/560405354.db2.gz TWNCAGLCSKJYSS-SFHVURJKSA-N 0 3 356.470 2.432 20 30 FEEDHN CC1(C)CCCN1CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000454066052 560426198 /nfs/dbraw/zinc/42/61/98/560426198.db2.gz HHDIGXROYXEWJS-UHFFFAOYSA-N 0 3 362.861 2.335 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000456255193 560513439 /nfs/dbraw/zinc/51/34/39/560513439.db2.gz BLNURIMZQBBGIK-UXHICEINSA-N 0 3 357.498 2.439 20 30 FEEDHN COCCN(CC#N)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000457209329 560555988 /nfs/dbraw/zinc/55/59/88/560555988.db2.gz YPNSEHKYRDPCPG-MRXNPFEDSA-N 0 3 351.397 2.142 20 30 FEEDHN CN(C)CC(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000457256087 560558752 /nfs/dbraw/zinc/55/87/52/560558752.db2.gz YNAIWSIYMDJCNN-ZDUSSCGKSA-N 0 3 362.861 2.021 20 30 FEEDHN C=CCN1CCC(NC(=O)N(CCO)Cc2cccc(OCC)c2)CC1 ZINC000458338699 560615496 /nfs/dbraw/zinc/61/54/96/560615496.db2.gz SDUOYWQYEUAFOZ-UHFFFAOYSA-N 0 3 361.486 2.240 20 30 FEEDHN C=CCC[C@@H](CO)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000458363087 560617097 /nfs/dbraw/zinc/61/70/97/560617097.db2.gz KFKKPADQYYQSPQ-KRWDZBQOSA-N 0 3 367.534 2.426 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000459010983 560661832 /nfs/dbraw/zinc/66/18/32/560661832.db2.gz BRNOJMIXLIPQEL-SJORKVTESA-N 0 3 353.413 2.382 20 30 FEEDHN N#CCNC(=O)CN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000459742825 560705735 /nfs/dbraw/zinc/70/57/35/560705735.db2.gz BXWSIHNFSNOPSP-VQTJNVASSA-N 0 3 366.440 2.023 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(CN(C)C)cc1 ZINC000461316959 560766644 /nfs/dbraw/zinc/76/66/44/560766644.db2.gz NDQINBWJVLGAQD-UHFFFAOYSA-N 0 3 360.421 2.761 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000461960236 560789899 /nfs/dbraw/zinc/78/98/99/560789899.db2.gz SXSKLKJVDDREBZ-IEBWSBKVSA-N 0 3 374.485 2.135 20 30 FEEDHN CCNC(=O)c1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470834701 560991101 /nfs/dbraw/zinc/99/11/01/560991101.db2.gz XYLZSVSURALCMI-IBGZPJMESA-N 0 3 360.417 2.307 20 30 FEEDHN CN(CCCNC(=O)C1CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471152565 560999359 /nfs/dbraw/zinc/99/93/59/560999359.db2.gz ROTJFUPKMAOLND-SFHVURJKSA-N 0 3 352.438 2.005 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000472425342 561026031 /nfs/dbraw/zinc/02/60/31/561026031.db2.gz MJWUKJXMBOBBJO-HKUYNNGSSA-N 0 3 372.428 2.442 20 30 FEEDHN CC(=O)N[C@@H](C)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472595128 561030496 /nfs/dbraw/zinc/03/04/96/561030496.db2.gz GFOBCFHIRNUUGT-LIRRHRJNSA-N 0 3 352.438 2.004 20 30 FEEDHN C=CCOc1ccc(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OC ZINC000473837153 561058658 /nfs/dbraw/zinc/05/86/58/561058658.db2.gz RGXDBFSBAZHIIY-JKSUJKDBSA-N 0 3 368.499 2.210 20 30 FEEDHN COc1ccc2c(c1)CCN(C[C@H](O)COc1ccccc1C#N)CC2 ZINC000528422166 562328483 /nfs/dbraw/zinc/32/84/83/562328483.db2.gz IRZOMCHWTCXACJ-IBGZPJMESA-N 0 3 352.434 2.407 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000528438802 562329327 /nfs/dbraw/zinc/32/93/27/562329327.db2.gz NFFYUHXHLIQMKY-AZUAARDMSA-N 0 3 356.397 2.031 20 30 FEEDHN CC(C)C[C@@]1(CO)CCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528469887 562330934 /nfs/dbraw/zinc/33/09/34/562330934.db2.gz CJGCQQVLOCKPDF-OAQYLSRUSA-N 0 3 354.450 2.159 20 30 FEEDHN CCOC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000528722849 562343839 /nfs/dbraw/zinc/34/38/39/562343839.db2.gz IURYQUBQNCDEQR-UONOGXRCSA-N 0 3 359.451 2.210 20 30 FEEDHN Cc1oc(NC(=O)[C@H](C)N2CCC(C)(N3CCOCC3)CC2)c(C#N)c1C ZINC000528728111 562344273 /nfs/dbraw/zinc/34/42/73/562344273.db2.gz LTHPRPIUPWALQR-HNNXBMFYSA-N 0 3 374.485 2.282 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CCCOC2)cc1 ZINC000529079279 562359188 /nfs/dbraw/zinc/35/91/88/562359188.db2.gz GKHRCJQSGXHQLA-KBPBESRZSA-N 0 3 365.455 2.311 20 30 FEEDHN CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000529426147 562373590 /nfs/dbraw/zinc/37/35/90/562373590.db2.gz GAXMQFRQDPOPJE-QRVBRYPASA-N 0 3 373.497 2.277 20 30 FEEDHN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000529426147 562373591 /nfs/dbraw/zinc/37/35/91/562373591.db2.gz GAXMQFRQDPOPJE-QRVBRYPASA-N 0 3 373.497 2.277 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000530232856 562403189 /nfs/dbraw/zinc/40/31/89/562403189.db2.gz TYFKNYCNDJIRRS-OALUTQOASA-N 0 3 371.481 2.069 20 30 FEEDHN CC1CC(C#N)(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000531556642 562449845 /nfs/dbraw/zinc/44/98/45/562449845.db2.gz XQCXLAGFZDRDHQ-UHFFFAOYSA-N 0 3 354.454 2.391 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531624078 562452007 /nfs/dbraw/zinc/45/20/07/562452007.db2.gz AAYYQFWKYGAFNE-UHFFFAOYSA-N 0 3 353.382 2.065 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000532351066 562475007 /nfs/dbraw/zinc/47/50/07/562475007.db2.gz ADQHCJDKSGOSHJ-KRWDZBQOSA-N 0 3 371.485 2.199 20 30 FEEDHN CCC[C@H]1CN(Cc2cccc(C(=O)OC)c2C#N)CCN1CCOC ZINC000535755896 562566819 /nfs/dbraw/zinc/56/68/19/562566819.db2.gz VGFLUIXXEZPWTC-KRWDZBQOSA-N 0 3 359.470 2.278 20 30 FEEDHN CN1CC=C(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000537260303 562588982 /nfs/dbraw/zinc/58/89/82/562588982.db2.gz DZXFJOJXEUTXHJ-UHFFFAOYSA-N 0 3 373.456 2.403 20 30 FEEDHN C=C(C)CN(CC)C(=O)CN1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C ZINC000540940634 562597672 /nfs/dbraw/zinc/59/76/72/562597672.db2.gz CAUZCUIFPKBNEU-IIDMSEBBSA-N 0 3 354.516 2.251 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000602722084 568023133 /nfs/dbraw/zinc/02/31/33/568023133.db2.gz LZIXBFCYABXRNO-TZIWHRDSSA-N 0 3 370.541 2.491 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000819743582 599698294 /nfs/dbraw/zinc/69/82/94/599698294.db2.gz MPSUARAUNCDBFR-GASCZTMLSA-N 0 3 354.458 2.254 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000819743582 599698295 /nfs/dbraw/zinc/69/82/95/599698295.db2.gz MPSUARAUNCDBFR-GASCZTMLSA-N 0 3 354.458 2.254 20 30 FEEDHN C#Cc1ccc(CNCCNS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000809660626 674504108 /nfs/dbraw/zinc/50/41/08/674504108.db2.gz LELLTRNREVXQDC-UHFFFAOYSA-N 0 3 350.390 2.014 20 30 FEEDHN N#Cc1ccc2c(c1)[C@H](NCCNS(=O)(=O)Cc1ccccc1)CC2 ZINC000810211088 674537315 /nfs/dbraw/zinc/53/73/15/674537315.db2.gz MBYIUDUGUJQGJZ-LJQANCHMSA-N 0 3 355.463 2.255 20 30 FEEDHN C=C(C)C[NH+]1CCC(Nc2nnc(CC)c(CC)c2-c2nnn[n-]2)CC1 ZINC000819722585 606931610 /nfs/dbraw/zinc/93/16/10/606931610.db2.gz NMELSBMEFGOFMN-UHFFFAOYSA-N 0 3 356.478 2.234 20 30 FEEDHN C=C(C)C[NH+]1CCC(Nc2nnc(CC)c(CC)c2-c2nn[n-]n2)CC1 ZINC000819722585 606931612 /nfs/dbraw/zinc/93/16/12/606931612.db2.gz NMELSBMEFGOFMN-UHFFFAOYSA-N 0 3 356.478 2.234 20 30 FEEDHN CC[C@@H]1[C@@H](C(=O)C(C#N)C(=O)NC(C)C)CCN1C(=O)OC(C)(C)C ZINC000810533844 674549241 /nfs/dbraw/zinc/54/92/41/674549241.db2.gz XHLUPLQWRVRHJX-MELADBBJSA-N 0 3 351.447 2.255 20 30 FEEDHN C#C[C@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811904773 674637858 /nfs/dbraw/zinc/63/78/58/674637858.db2.gz MRHZIIUNXVPWTR-YJBOKZPZSA-N 0 3 362.905 2.340 20 30 FEEDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000561543877 674677570 /nfs/dbraw/zinc/67/75/70/674677570.db2.gz XFLQVGDLOIYCPM-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN C=CCn1c(=S)n(CN2CCN(C3CCOCC3)CC2)nc1C1CC1 ZINC000083114955 670655547 /nfs/dbraw/zinc/65/55/47/670655547.db2.gz WMSVAEKIYIQVRK-UHFFFAOYSA-N 0 3 363.531 2.232 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000818101851 675196328 /nfs/dbraw/zinc/19/63/28/675196328.db2.gz XGPALQNEYBNTGJ-GJZGRUSLSA-N 0 3 366.259 2.370 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCOc2c(Br)cccc21 ZINC000578620107 671677880 /nfs/dbraw/zinc/67/78/80/671677880.db2.gz OVZFMJPDMIQBRO-IUODEOHRSA-N 0 3 368.275 2.069 20 30 FEEDHN Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000578805638 671690748 /nfs/dbraw/zinc/69/07/48/671690748.db2.gz YFYAQKIFFQPGSY-MRXNPFEDSA-N 0 3 361.492 2.484 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1ccc(F)c(Cl)c1 ZINC000124345702 671995431 /nfs/dbraw/zinc/99/54/31/671995431.db2.gz FLEITZKCFGQYJQ-GFCCVEGCSA-N 0 3 356.781 2.110 20 30 FEEDHN CCO[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1(CC)CC ZINC000584017535 672147793 /nfs/dbraw/zinc/14/77/93/672147793.db2.gz WKLKXMGSBQWGQQ-CVEARBPZSA-N 0 3 365.499 2.300 20 30 FEEDHN C=CCN1CCC(NC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000172029852 672338760 /nfs/dbraw/zinc/33/87/60/672338760.db2.gz QFLIEOQOWKPZDW-AWEZNQCLSA-N 0 3 354.495 2.239 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000173933796 672355951 /nfs/dbraw/zinc/35/59/51/672355951.db2.gz ALGXHSYVDJEYOQ-HZSPNIEDSA-N 0 3 350.365 2.320 20 30 FEEDHN Cc1nn(C)c(C)c1OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000177193619 672380731 /nfs/dbraw/zinc/38/07/31/672380731.db2.gz DNFMESCVCIIAII-CQSZACIVSA-N 0 3 360.801 2.417 20 30 FEEDHN N#Cc1cc(Br)ccc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000588200422 672456955 /nfs/dbraw/zinc/45/69/55/672456955.db2.gz RTKQRNGGKFZNIP-IRXDYDNUSA-N 0 3 364.287 2.352 20 30 FEEDHN C=CCOCCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000679607086 672509779 /nfs/dbraw/zinc/50/97/79/672509779.db2.gz QLTWHABYZLZLFZ-UHFFFAOYSA-N 0 3 353.507 2.302 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000592124396 672761011 /nfs/dbraw/zinc/76/10/11/672761011.db2.gz BJHSBABHKIALGU-UKRRQHHQSA-N 0 3 365.275 2.165 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000592124393 672761118 /nfs/dbraw/zinc/76/11/18/672761118.db2.gz BJHSBABHKIALGU-DZGCQCFKSA-N 0 3 365.275 2.165 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CCCC)[C@H]1CCc2ncsc2C1 ZINC000592188382 672769462 /nfs/dbraw/zinc/76/94/62/672769462.db2.gz OIWHOJLXCKWGCZ-ZDUSSCGKSA-N 0 3 350.488 2.114 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(N)nc(Cl)c1 ZINC000195220402 672779494 /nfs/dbraw/zinc/77/94/94/672779494.db2.gz CDCCZYQGLKKTEC-UHFFFAOYSA-N 0 3 357.845 2.393 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCCN1CCC(O)CC1 ZINC000322252059 673041671 /nfs/dbraw/zinc/04/16/71/673041671.db2.gz QJFWVEKADCYRJN-UHFFFAOYSA-N 0 3 367.287 2.007 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594325721 673058558 /nfs/dbraw/zinc/05/85/58/673058558.db2.gz ITEHOFJXXVESPS-GDBMZVCRSA-N 0 3 360.845 2.283 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000594425457 673070760 /nfs/dbraw/zinc/07/07/60/673070760.db2.gz JQLWLSACAQDTES-LBPRGKRZSA-N 0 3 357.241 2.459 20 30 FEEDHN CCOC(=O)c1sc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)nc1C ZINC000594445790 673073078 /nfs/dbraw/zinc/07/30/78/673073078.db2.gz MCWRJZIZEHELNB-RYUDHWBXSA-N 0 3 352.460 2.217 20 30 FEEDHN CCOC(=O)c1sc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)nc1C ZINC000594445788 673073132 /nfs/dbraw/zinc/07/31/32/673073132.db2.gz MCWRJZIZEHELNB-NEPJUHHUSA-N 0 3 352.460 2.217 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCCN(C)[C@@H]2c2cccs2)C1=O ZINC000348579706 673116443 /nfs/dbraw/zinc/11/64/43/673116443.db2.gz YEODMAVQLAZBGQ-YCPHGPKFSA-N 0 3 363.483 2.254 20 30 FEEDHN C[C@@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)C1=CCN(C)CC1 ZINC000595581485 673269551 /nfs/dbraw/zinc/26/95/51/673269551.db2.gz LGXBDFKRLZPLTM-CQSZACIVSA-N 0 3 359.499 2.102 20 30 FEEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000613390103 676127038 /nfs/dbraw/zinc/12/70/38/676127038.db2.gz WPLIHNZGJDUVPU-HNAYVOBHSA-N 0 3 358.463 2.086 20 30 FEEDHN N#CCOc1ccc(CN2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000731211674 673325507 /nfs/dbraw/zinc/32/55/07/673325507.db2.gz UTHJWIJIJSZNKH-UHFFFAOYSA-N 0 3 355.360 2.479 20 30 FEEDHN CCOCCC[N@@H+]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000735229828 673486940 /nfs/dbraw/zinc/48/69/40/673486940.db2.gz SKHISWIQAUAETO-MRXNPFEDSA-N 0 3 367.515 2.230 20 30 FEEDHN CCOCCC[N@H+]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000735229828 673486942 /nfs/dbraw/zinc/48/69/42/673486942.db2.gz SKHISWIQAUAETO-MRXNPFEDSA-N 0 3 367.515 2.230 20 30 FEEDHN CCOCCCN1CCC(=NNS(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000735229828 673486944 /nfs/dbraw/zinc/48/69/44/673486944.db2.gz SKHISWIQAUAETO-MRXNPFEDSA-N 0 3 367.515 2.230 20 30 FEEDHN N#Cc1ccc2c(c1)CCN2C(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000597778003 673506019 /nfs/dbraw/zinc/50/60/19/673506019.db2.gz TXDRSLRPUFONKE-ZIAGYGMSSA-N 0 3 354.328 2.431 20 30 FEEDHN N#Cc1cccc2c1CCN2C(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000597788383 673507231 /nfs/dbraw/zinc/50/72/31/673507231.db2.gz LKSSTHOQMXMEKF-TZMCWYRMSA-N 0 3 354.328 2.431 20 30 FEEDHN CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCN(C)C1 ZINC000597947454 673522570 /nfs/dbraw/zinc/52/25/70/673522570.db2.gz YSAVOALSHUZAHZ-ZDUSSCGKSA-N 0 3 366.259 2.252 20 30 FEEDHN CCN(CC)C(=O)CCC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000542981287 673618938 /nfs/dbraw/zinc/61/89/38/673618938.db2.gz ROAIQCDVHSGHMG-INIZCTEOSA-N 0 3 350.507 2.108 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)N1CCN(CCC#N)CC1)c1ccsc1 ZINC000601548663 673880600 /nfs/dbraw/zinc/88/06/00/673880600.db2.gz CUFGQZBSCJAZEY-QGZVFWFLSA-N 0 3 363.531 2.372 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2([C@H]3CCCCO3)CCC2)nc1 ZINC000601969669 673900467 /nfs/dbraw/zinc/90/04/67/673900467.db2.gz RTLDHNWUNDJZQB-MRXNPFEDSA-N 0 3 363.483 2.056 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@]1(CC)CCCN1C(=O)OC(C)(C)C ZINC000818592845 675226542 /nfs/dbraw/zinc/22/65/42/675226542.db2.gz BHFXYGBBTIASDZ-IBGZPJMESA-N 0 3 351.491 2.237 20 30 FEEDHN C#CCN(C)CCCNC(=O)CSc1nccn1-c1ccccc1C ZINC000818595970 675227166 /nfs/dbraw/zinc/22/71/66/675227166.db2.gz WYVKDSFNISNJTL-UHFFFAOYSA-N 0 3 356.495 2.344 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000616419010 676249649 /nfs/dbraw/zinc/24/96/49/676249649.db2.gz HASOOBYQOBUHTL-XJKSGUPXSA-N 0 3 353.463 2.332 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625368750 676643166 /nfs/dbraw/zinc/64/31/66/676643166.db2.gz NOGODKABRHBVMD-MRXNPFEDSA-N 0 3 361.511 2.396 20 30 FEEDHN C=CC[C@]1(C(=O)NCc2nc3cc(Br)cnc3[n-]2)CCC[NH2+]1 ZINC000662745506 678657621 /nfs/dbraw/zinc/65/76/21/678657621.db2.gz MNGCIFVXSQPUNI-OAHLLOKOSA-N 0 3 364.247 2.035 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000833173088 680189691 /nfs/dbraw/zinc/18/96/91/680189691.db2.gz VDLDWUCGLCAOFQ-HNNXBMFYSA-N 0 3 351.491 2.141 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H](CC)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834761525 680264391 /nfs/dbraw/zinc/26/43/91/680264391.db2.gz RKPVGIJAYQCNEY-GJZGRUSLSA-N 0 3 360.520 2.355 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC(NCc2cnns2)CC1 ZINC001026575178 680347685 /nfs/dbraw/zinc/34/76/85/680347685.db2.gz DTIJVOZEKBYHEP-BGHVQYPCSA-N 0 3 350.488 2.036 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNCc2csnc2OC)CC1 ZINC000998093682 680375121 /nfs/dbraw/zinc/37/51/21/680375121.db2.gz BQMHIJJWTNXHAO-CVEARBPZSA-N 0 3 365.499 2.071 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](CC)OC ZINC001029508651 680390062 /nfs/dbraw/zinc/39/00/62/680390062.db2.gz NKDAMKUGQRMDRY-PJVZLEMVSA-N 0 3 350.503 2.458 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2csnc2OC)C1 ZINC000984919454 680396739 /nfs/dbraw/zinc/39/67/39/680396739.db2.gz HWIDFJMZQSUEES-TUUVXOQKSA-N 0 3 365.499 2.117 20 30 FEEDHN C=C(Br)CN[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000999413581 680402794 /nfs/dbraw/zinc/40/27/94/680402794.db2.gz RXEBWEYMHWIXNR-YNEHKIRRSA-N 0 3 353.264 2.002 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(Br)cc1 ZINC000836309274 680448381 /nfs/dbraw/zinc/44/83/81/680448381.db2.gz KMFZTMZCITVDEW-UHFFFAOYSA-N 0 3 352.276 2.246 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=S)NC[C@@H]1CCCCO1 ZINC000758211739 680562458 /nfs/dbraw/zinc/56/24/58/680562458.db2.gz CVIJNHMYLGTORK-SFHVURJKSA-N 0 3 360.527 2.365 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043359088 680577531 /nfs/dbraw/zinc/57/75/31/680577531.db2.gz REQUQEGFZIJRCT-OASPWFOLSA-N 0 3 367.906 2.267 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001043518063 680585623 /nfs/dbraw/zinc/58/56/23/680585623.db2.gz QEEJRBYGIQNLOZ-XJKCOSOUSA-N 0 3 361.877 2.207 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043518062 680585888 /nfs/dbraw/zinc/58/58/88/680585888.db2.gz QEEJRBYGIQNLOZ-WOSRLPQWSA-N 0 3 361.877 2.207 20 30 FEEDHN COc1ccc(C#N)cc1COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000772257993 681090631 /nfs/dbraw/zinc/09/06/31/681090631.db2.gz ZTKWGAXFQPUFQJ-AAEUAGOBSA-N 0 3 356.300 2.067 20 30 FEEDHN CCn1ccc(CC(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)n1 ZINC000845443917 681128300 /nfs/dbraw/zinc/12/83/00/681128300.db2.gz WQGRTKDHMLKHLV-ZDUSSCGKSA-N 0 3 360.801 2.455 20 30 FEEDHN N#CC[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C(F)(F)F ZINC000932925572 681329256 /nfs/dbraw/zinc/32/92/56/681329256.db2.gz RZCFGUJGNFEVPO-LBPRGKRZSA-N 0 3 364.437 2.492 20 30 FEEDHN N#Cc1ccc([C@H](O)C(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000780887485 681883805 /nfs/dbraw/zinc/88/38/05/681883805.db2.gz GZRISLGAASBBKC-KRWDZBQOSA-N 0 3 359.495 2.069 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCOC1 ZINC000850761522 681957389 /nfs/dbraw/zinc/95/73/89/681957389.db2.gz NTXKPRDABUCREJ-ISOBSLSZSA-N 0 3 354.765 2.178 20 30 FEEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1cn(C)nn1 ZINC000782102797 682006667 /nfs/dbraw/zinc/00/66/67/682006667.db2.gz WEKGXGZNHWBICK-ZDUSSCGKSA-N 0 3 354.439 2.123 20 30 FEEDHN N#Cc1ccc(CN2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)o1 ZINC000862537548 683598785 /nfs/dbraw/zinc/59/87/85/683598785.db2.gz CLHCQJCRVCLVME-HPEDKQMDSA-N 0 3 353.344 2.382 20 30 FEEDHN C#CC[C@H](COC)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000863804860 683775106 /nfs/dbraw/zinc/77/51/06/683775106.db2.gz KJJVTIMSIXJXBU-IAGOWNOFSA-N 0 3 350.409 2.298 20 30 FEEDHN C#CCN(C(=O)NC[C@H]1CSc2ccccc2O1)C1CCN(C)CC1 ZINC000923017421 683820124 /nfs/dbraw/zinc/82/01/24/683820124.db2.gz AQTQNFMPLFRIHL-INIZCTEOSA-N 0 3 359.495 2.279 20 30 FEEDHN C=C(Cl)C[C@@H]1NC(=O)N(CC2CCN(Cc3ccncc3)CC2)C1=O ZINC000865312068 683966859 /nfs/dbraw/zinc/96/68/59/683966859.db2.gz NVLVAWXGXKUSOL-INIZCTEOSA-N 0 3 362.861 2.357 20 30 FEEDHN N#Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000866751046 684145167 /nfs/dbraw/zinc/14/51/67/684145167.db2.gz TUWJRJXSDMDDAU-INIZCTEOSA-N 0 3 351.447 2.336 20 30 FEEDHN N#Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000866751048 684145268 /nfs/dbraw/zinc/14/52/68/684145268.db2.gz TUWJRJXSDMDDAU-MRXNPFEDSA-N 0 3 351.447 2.336 20 30 FEEDHN CN(C)C[C@@H]1NC(=O)N(Cc2cccc(-c3ccc(C#N)s3)c2)C1=O ZINC000924689535 684480514 /nfs/dbraw/zinc/48/05/14/684480514.db2.gz YOCPSUZVNVFGCT-HNNXBMFYSA-N 0 3 354.435 2.269 20 30 FEEDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)Nc2nc(Cl)c(C#N)s2)cn1 ZINC000875681761 686063469 /nfs/dbraw/zinc/06/34/69/686063469.db2.gz KDELKDYWJUYJQI-GHMZBOCLSA-N 0 3 364.862 2.076 20 30 FEEDHN C#CC[C@H](COC)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000875920952 686104170 /nfs/dbraw/zinc/10/41/70/686104170.db2.gz CPTJSZKURGRJSO-OAHLLOKOSA-N 0 3 353.413 2.076 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000876686095 686243691 /nfs/dbraw/zinc/24/36/91/686243691.db2.gz PCETZIQWPCLGMM-OSMZGAPFSA-N 0 3 351.834 2.443 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000876713618 686251252 /nfs/dbraw/zinc/25/12/52/686251252.db2.gz LPEDCHMHLKHZAO-CQSZACIVSA-N 0 3 351.882 2.027 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000876728071 686254432 /nfs/dbraw/zinc/25/44/32/686254432.db2.gz XIZBQSGFOXICQL-ZIAGYGMSSA-N 0 3 350.850 2.037 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000876749341 686260264 /nfs/dbraw/zinc/26/02/64/686260264.db2.gz JJCDUWUHVYLKHE-BBRMVZONSA-N 0 3 364.877 2.200 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882767190 687478963 /nfs/dbraw/zinc/47/89/63/687478963.db2.gz FUJFUAXVDASNRT-UHFFFAOYSA-N 0 3 351.447 2.255 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CCNCCC23CCC3)ccc1C(F)(F)F ZINC000883478912 687643512 /nfs/dbraw/zinc/64/35/12/687643512.db2.gz FKVDUWXPGZHPPV-UHFFFAOYSA-N 0 3 373.400 2.484 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccccc1OC(F)(F)F)C2 ZINC000884062774 687782543 /nfs/dbraw/zinc/78/25/43/687782543.db2.gz ANXCCNJCQSMVQL-MFOWVQHXSA-N 0 3 353.344 2.341 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC000884151062 687802351 /nfs/dbraw/zinc/80/23/51/687802351.db2.gz COCDRCNBSHNZIG-PGDFIKJTSA-N 0 3 368.264 2.282 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](N)c2ccc(Br)cc2)CC1 ZINC000884214311 687820572 /nfs/dbraw/zinc/82/05/72/687820572.db2.gz YVQBSFXFBACBLK-HNNXBMFYSA-N 0 3 352.276 2.216 20 30 FEEDHN C#CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CCN(C)CC1 ZINC000886571279 688277561 /nfs/dbraw/zinc/27/75/61/688277561.db2.gz PUDXCZHLKKBCON-UHFFFAOYSA-N 0 3 368.796 2.139 20 30 FEEDHN C=CCC1(O)CCN([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000886778607 688309507 /nfs/dbraw/zinc/30/95/07/688309507.db2.gz JNWGAJWXALOKPA-YJBOKZPZSA-N 0 3 354.491 2.150 20 30 FEEDHN C#CCSCC(=O)N1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000899024605 690288874 /nfs/dbraw/zinc/28/88/74/690288874.db2.gz BLJQUSCJIHERKU-SFHVURJKSA-N 0 3 361.511 2.268 20 30 FEEDHN N#Cc1ccc(NC(=S)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1Cl ZINC000899663760 690401462 /nfs/dbraw/zinc/40/14/62/690401462.db2.gz GCOSOXJMTVHSSY-CVEARBPZSA-N 0 3 364.902 2.439 20 30 FEEDHN C=CCNc1ncc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000900979934 690595977 /nfs/dbraw/zinc/59/59/77/690595977.db2.gz FWPXJRAIRPEHOM-OKILXGFUSA-N 0 3 352.504 2.360 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@H]3C2)cn1 ZINC001164761051 721091308 /nfs/dbraw/zinc/09/13/08/721091308.db2.gz ALNHMURJKAABKW-QZTJIDSGSA-N 0 3 373.464 2.193 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)NC1CC1 ZINC000008251215 539481843 /nfs/dbraw/zinc/48/18/43/539481843.db2.gz YCWICRFFECHTAN-AWEZNQCLSA-N 0 3 363.531 2.252 20 30 FEEDHN COC(=O)c1ccc(OC[C@H](O)CN(C)Cc2cccc(C#N)c2)cc1 ZINC000026328310 539783508 /nfs/dbraw/zinc/78/35/08/539783508.db2.gz GNKXRKDINKCAFE-GOSISDBHSA-N 0 3 354.406 2.217 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)CN3CCCCC3)cc2C1=O ZINC000027751184 539816466 /nfs/dbraw/zinc/81/64/66/539816466.db2.gz SYSJSLPOYFCLFG-AWEZNQCLSA-N 0 3 355.438 2.073 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(C(=O)N2CCCC2)CC1 ZINC000029159451 539844585 /nfs/dbraw/zinc/84/45/85/539844585.db2.gz FGBRLRIMKWVXFK-UHFFFAOYSA-N 0 3 360.483 2.283 20 30 FEEDHN Cc1sc(NC(=O)CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c(C#N)c1C ZINC000550141623 674083192 /nfs/dbraw/zinc/08/31/92/674083192.db2.gz ZVPGUIHFCVUERJ-WMZOPIPTSA-N 0 3 363.483 2.085 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000041593356 540025871 /nfs/dbraw/zinc/02/58/71/540025871.db2.gz JUDSDCRJVCNTMX-GOSISDBHSA-N 0 3 356.470 2.369 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)N(C)Cc1ccccc1 ZINC000550380107 674092204 /nfs/dbraw/zinc/09/22/04/674092204.db2.gz AJBQKGGBDWQRNL-ZDUSSCGKSA-N 0 3 356.451 2.195 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CCN(C(=O)N(C)C)CC1)C(C)C ZINC000045910372 540233990 /nfs/dbraw/zinc/23/39/90/540233990.db2.gz ZLHDADRUCGVTAH-GOSISDBHSA-N 0 3 364.534 2.195 20 30 FEEDHN CN(Cc1ccc2c(c1)OCCO2)C[C@H](O)COc1ccc(C#N)cc1 ZINC000046343129 540252752 /nfs/dbraw/zinc/25/27/52/540252752.db2.gz IVWSWGMBKKQTQK-KRWDZBQOSA-N 0 3 354.406 2.201 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C#N)cc1 ZINC000047010968 540284640 /nfs/dbraw/zinc/28/46/40/540284640.db2.gz YYDWIMUOECXUIE-UHFFFAOYSA-N 0 3 362.433 2.399 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cccc(COCCOCC)c2)CC1 ZINC000050032513 540397309 /nfs/dbraw/zinc/39/73/09/540397309.db2.gz LUVBZHRVTZHQJA-UHFFFAOYSA-N 0 3 358.482 2.201 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCN(CC3CC3)CC2)c(OC)c1 ZINC000051426648 540433988 /nfs/dbraw/zinc/43/39/88/540433988.db2.gz ZEVDQQKVQBJYPG-IBGZPJMESA-N 0 3 360.498 2.191 20 30 FEEDHN CCN(C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000053403221 540532215 /nfs/dbraw/zinc/53/22/15/540532215.db2.gz LKJZTZQOSHSQIQ-HKUYNNGSSA-N 0 3 368.433 2.460 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000057675378 540807109 /nfs/dbraw/zinc/80/71/09/540807109.db2.gz QPMRDQHFJNTAMW-SFHVURJKSA-N 0 3 364.449 2.094 20 30 FEEDHN COCCN(CCOC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000057798336 540815995 /nfs/dbraw/zinc/81/59/95/540815995.db2.gz LFUYJRNQVFATDF-UHFFFAOYSA-N 0 3 365.499 2.422 20 30 FEEDHN N#CCCN(C(=O)CCC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1 ZINC000066623690 541349001 /nfs/dbraw/zinc/34/90/01/541349001.db2.gz CFHQBIHBEURAOM-LJQANCHMSA-N 0 3 368.481 2.410 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCN(C(C)C)CC1 ZINC000068781611 541627628 /nfs/dbraw/zinc/62/76/28/541627628.db2.gz FFAHZFPSPUBKGZ-UHFFFAOYSA-N 0 3 368.485 2.093 20 30 FEEDHN C=CC[C@@H]1N(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCCC1(C)C ZINC000550838872 674114016 /nfs/dbraw/zinc/11/40/16/674114016.db2.gz MDLZQBZBQQCGST-HNAYVOBHSA-N 0 3 367.559 2.133 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cncnc2)cc1 ZINC000073411566 541950574 /nfs/dbraw/zinc/95/05/74/541950574.db2.gz UNZAIWIXNGAFAR-UONOGXRCSA-N 0 3 353.426 2.195 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(C)C ZINC000073707074 541989251 /nfs/dbraw/zinc/98/92/51/541989251.db2.gz SCPPUQGGQAZAKE-OAHLLOKOSA-N 0 3 372.469 2.263 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000074490366 542090189 /nfs/dbraw/zinc/09/01/89/542090189.db2.gz GMBPLWIOMVGCKD-HNNXBMFYSA-N 0 3 359.449 2.013 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(COCC3CC3)c2)CC1 ZINC000076526397 542289290 /nfs/dbraw/zinc/28/92/90/542289290.db2.gz SFPLNJWAXYRCRM-UHFFFAOYSA-N 0 3 371.481 2.318 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)N(CCC#N)CCC#N ZINC000077371592 542373627 /nfs/dbraw/zinc/37/36/27/542373627.db2.gz VQFCQJZFAIRIIL-LJQANCHMSA-N 0 3 367.497 2.239 20 30 FEEDHN C[C@](C#N)(NC(=O)CNc1ccccc1CN1CCC(CO)CC1)C1CC1 ZINC000078405012 542460231 /nfs/dbraw/zinc/46/02/31/542460231.db2.gz DJMRYVZHTWDBSK-OAQYLSRUSA-N 0 3 370.497 2.111 20 30 FEEDHN COCCCN1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000079447819 542519682 /nfs/dbraw/zinc/51/96/82/542519682.db2.gz NSZPRQCVLUKTAG-UHFFFAOYSA-N 0 3 355.442 2.152 20 30 FEEDHN CC(C)N(CCOCCO)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000801993135 674158182 /nfs/dbraw/zinc/15/81/82/674158182.db2.gz MYCYCLJODQEENY-CQSZACIVSA-N 0 3 361.467 2.192 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000079890656 542547608 /nfs/dbraw/zinc/54/76/08/542547608.db2.gz RPJVQJFVEWZGOT-UHFFFAOYSA-N 0 3 368.437 2.410 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2nc[nH]n2)CC1 ZINC000083445179 542697702 /nfs/dbraw/zinc/69/77/02/542697702.db2.gz IWALXEZUNJPVDR-CQSZACIVSA-N 0 3 370.432 2.459 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089847054 542771746 /nfs/dbraw/zinc/77/17/46/542771746.db2.gz NBGUPXYHVLWQEM-UHFFFAOYSA-N 0 3 359.470 2.137 20 30 FEEDHN Cn1ccnc1[C@@H](O)C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000089926004 542773453 /nfs/dbraw/zinc/77/34/53/542773453.db2.gz SIDQKKNRKVRDTM-IBGZPJMESA-N 0 3 367.453 2.066 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092239764 542851451 /nfs/dbraw/zinc/85/14/51/542851451.db2.gz QSWRJXSXWFGFTH-AOCRQIFASA-N 0 3 371.485 2.284 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000103466838 543108786 /nfs/dbraw/zinc/10/87/86/543108786.db2.gz PVEQTGGSAXFNTL-AWEZNQCLSA-N 0 3 370.482 2.366 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)CC1 ZINC000106290644 543221801 /nfs/dbraw/zinc/22/18/01/543221801.db2.gz XWGSFFUCLVSZHT-OAQYLSRUSA-N 0 3 370.541 2.132 20 30 FEEDHN N#CCCSc1ccccc1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000108605778 543297427 /nfs/dbraw/zinc/29/74/27/543297427.db2.gz VQMYGQJFVVTSLC-UHFFFAOYSA-N 0 3 372.494 2.374 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000108879482 543307293 /nfs/dbraw/zinc/30/72/93/543307293.db2.gz KVNWMXPIMNEGKG-HKUYNNGSSA-N 0 3 356.470 2.159 20 30 FEEDHN CN1CCC2(CC1)C[C@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1O2 ZINC000109139796 543315474 /nfs/dbraw/zinc/31/54/74/543315474.db2.gz ZCJAZJIJYJJEDV-KRWDZBQOSA-N 0 3 369.465 2.411 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)C(C)C ZINC000112919827 543468836 /nfs/dbraw/zinc/46/88/36/543468836.db2.gz FXHZSQMVPNNUFM-IBGZPJMESA-N 0 3 368.481 2.211 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)CC1 ZINC000113189929 543476248 /nfs/dbraw/zinc/47/62/48/543476248.db2.gz UIHQDYKVPZPDQJ-UHFFFAOYSA-N 0 3 368.481 2.060 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000118096637 543644707 /nfs/dbraw/zinc/64/47/07/543644707.db2.gz QQCMHMLALBQTOD-LSDHHAIUSA-N 0 3 374.510 2.477 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)NCc1ccc(CN(C)C)cc1 ZINC000121025803 543688224 /nfs/dbraw/zinc/68/82/24/543688224.db2.gz BMDWYLOEWSIABO-UHFFFAOYSA-N 0 3 353.422 2.324 20 30 FEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000119347522 543666190 /nfs/dbraw/zinc/66/61/90/543666190.db2.gz JUAWFAKLDCNKKK-YJBOKZPZSA-N 0 3 372.469 2.106 20 30 FEEDHN CCOC(=O)CC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000120051339 543674674 /nfs/dbraw/zinc/67/46/74/543674674.db2.gz PAJVEGHITSCBPS-SFHVURJKSA-N 0 3 360.454 2.158 20 30 FEEDHN N#Cc1ccc2ncc(CNCCCCN3C(=O)c4ccccc4C3=O)n2c1 ZINC000123720439 543779291 /nfs/dbraw/zinc/77/92/91/543779291.db2.gz GJRCTFDCWKDYLJ-UHFFFAOYSA-N 0 3 373.416 2.372 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000126974952 543966483 /nfs/dbraw/zinc/96/64/83/543966483.db2.gz CFYYHIYMJGJQMZ-UHFFFAOYSA-N 0 3 360.889 2.311 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127455130 543993989 /nfs/dbraw/zinc/99/39/89/543993989.db2.gz ZKQGUDBRNQDICN-CRAIPNDOSA-N 0 3 356.470 2.341 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1scnc1CC)C(C)C ZINC000128107409 544032728 /nfs/dbraw/zinc/03/27/28/544032728.db2.gz CYUNRUYAPIIRLS-OAHLLOKOSA-N 0 3 364.515 2.459 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCc3c2cccc3Cl)CC1 ZINC000129462814 544113779 /nfs/dbraw/zinc/11/37/79/544113779.db2.gz WMDMRUMUGXDWDQ-UHFFFAOYSA-N 0 3 361.873 2.386 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)c1C ZINC000130699773 544161379 /nfs/dbraw/zinc/16/13/79/544161379.db2.gz UOPHOEYOGVJCGJ-IRXDYDNUSA-N 0 3 356.470 2.184 20 30 FEEDHN C=C(C)COCCNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000134999636 544330584 /nfs/dbraw/zinc/33/05/84/544330584.db2.gz XMKBRHSELJKCOJ-HXUWFJFHSA-N 0 3 374.529 2.257 20 30 FEEDHN COc1ccc(OCCN(C)C[C@@H](O)COc2ccccc2C#N)cc1 ZINC000141583283 544413468 /nfs/dbraw/zinc/41/34/68/544413468.db2.gz KNUIYHNDONXKFT-QGZVFWFLSA-N 0 3 356.422 2.317 20 30 FEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)COc1ccc(C#N)cc1 ZINC000153441007 544775720 /nfs/dbraw/zinc/77/57/20/544775720.db2.gz AJQCAUSCIHLOIX-UHFFFAOYSA-N 0 3 353.422 2.233 20 30 FEEDHN N#Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1Cl ZINC000553082286 674237640 /nfs/dbraw/zinc/23/76/40/674237640.db2.gz YHXSJBYLGPTDTP-IAGOWNOFSA-N 0 3 356.857 2.902 20 30 FEEDHN CN(C)C1(CN(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCC1 ZINC000186939153 327991618 /nfs/dbraw/zinc/99/16/18/327991618.db2.gz UMRNUNGQPSMHRS-UHFFFAOYSA-N 0 3 366.469 2.099 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1 ZINC000188072007 328063922 /nfs/dbraw/zinc/06/39/22/328063922.db2.gz VEASYUXSJKCQJL-IBGZPJMESA-N 0 3 355.463 2.329 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc(F)c1C#N ZINC000188184873 328071823 /nfs/dbraw/zinc/07/18/23/328071823.db2.gz MFYGATURGHHEJY-OAQYLSRUSA-N 0 3 367.424 2.406 20 30 FEEDHN CCN(CCCN1CCCC1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000188260084 328076314 /nfs/dbraw/zinc/07/63/14/328076314.db2.gz TWTVYQZLKDDYLJ-UHFFFAOYSA-N 0 3 357.426 2.333 20 30 FEEDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(C#N)cc1OC ZINC000188258033 328076449 /nfs/dbraw/zinc/07/64/49/328076449.db2.gz ICFGRFLRMHACHB-UHFFFAOYSA-N 0 3 351.472 2.063 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000191248528 328256254 /nfs/dbraw/zinc/25/62/54/328256254.db2.gz IULGTXIBZVZMII-RDTXWAMCSA-N 0 3 350.422 2.304 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1C#N ZINC000120712860 326281117 /nfs/dbraw/zinc/28/11/17/326281117.db2.gz PCPNCMPOSHLQDH-RHSMWYFYSA-N 0 3 372.469 2.225 20 30 FEEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000120893751 326297209 /nfs/dbraw/zinc/29/72/09/326297209.db2.gz OZGBTHPUPOZPDW-FUHWJXTLSA-N 0 3 373.501 2.404 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000121708001 326359970 /nfs/dbraw/zinc/35/99/70/326359970.db2.gz UJIPVKPRZAWFKN-DYVFJYSZSA-N 0 3 363.458 2.335 20 30 FEEDHN Cc1cccc(S(=O)(=O)NCc2ccc(OCCN(C)C)cc2)c1C#N ZINC000156579754 326836450 /nfs/dbraw/zinc/83/64/50/326836450.db2.gz DLRJXNAIIMRGAH-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN C[C@@H]1CN(CC2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000170780153 327098723 /nfs/dbraw/zinc/09/87/23/327098723.db2.gz AVLWJPBVRRTTBF-CALCHBBNSA-N 0 3 370.497 2.318 20 30 FEEDHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cccc(C#N)c2)c1 ZINC000171394342 327136605 /nfs/dbraw/zinc/13/66/05/327136605.db2.gz FUMAHPUONIZDFX-UHFFFAOYSA-N 0 3 364.449 2.396 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000171787388 327161283 /nfs/dbraw/zinc/16/12/83/327161283.db2.gz QUAITRHLEWPEIE-INIZCTEOSA-N 0 3 364.449 2.442 20 30 FEEDHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)c1 ZINC000173477905 327260131 /nfs/dbraw/zinc/26/01/31/327260131.db2.gz LXUINGMJWQHFNV-UHFFFAOYSA-N 0 3 354.385 2.014 20 30 FEEDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000173831720 327287413 /nfs/dbraw/zinc/28/74/13/327287413.db2.gz XQYLXUVOCQYPMR-ZIAGYGMSSA-N 0 3 353.875 2.459 20 30 FEEDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000173831061 327287437 /nfs/dbraw/zinc/28/74/37/327287437.db2.gz ORXJOHKHOOGZCY-UONOGXRCSA-N 0 3 353.875 2.459 20 30 FEEDHN COc1ccc(CNCc2cccc(OCC(=O)N(C)C)c2)cc1C#N ZINC000174279038 327316724 /nfs/dbraw/zinc/31/67/24/327316724.db2.gz DMTVVMBHLRJBQD-UHFFFAOYSA-N 0 3 353.422 2.324 20 30 FEEDHN CN(C)Cc1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000174780390 327350536 /nfs/dbraw/zinc/35/05/36/327350536.db2.gz XWGHXWDUNPAVJY-UHFFFAOYSA-N 0 3 352.438 2.498 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1Cl ZINC000264598254 329039409 /nfs/dbraw/zinc/03/94/09/329039409.db2.gz XHDQDEADLNYQLM-OAHLLOKOSA-N 0 3 360.845 2.237 20 30 FEEDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000264746142 329056053 /nfs/dbraw/zinc/05/60/53/329056053.db2.gz UCLIWLQFJKKDNC-ZBFHGGJFSA-N 0 3 363.458 2.143 20 30 FEEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000270492535 329605101 /nfs/dbraw/zinc/60/51/01/329605101.db2.gz UXYDPNKFRLAQEO-SJLPKXTDSA-N 0 3 364.467 2.043 20 30 FEEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000270492533 329605233 /nfs/dbraw/zinc/60/52/33/329605233.db2.gz UXYDPNKFRLAQEO-FUHWJXTLSA-N 0 3 364.467 2.043 20 30 FEEDHN CN(C)C1(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCC1 ZINC000275642245 330073610 /nfs/dbraw/zinc/07/36/10/330073610.db2.gz OAVZPUHKIHPGQM-UHFFFAOYSA-N 0 3 371.485 2.427 20 30 FEEDHN COCCn1cc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000361466697 330204876 /nfs/dbraw/zinc/20/48/76/330204876.db2.gz ZQVXWYVCMBGRMN-QGZVFWFLSA-N 0 3 357.433 2.299 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367184295 330227380 /nfs/dbraw/zinc/22/73/80/330227380.db2.gz JLYGPHPQDDSXIB-APWZRJJASA-N 0 3 355.486 2.356 20 30 FEEDHN CC[C@](C)(NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(N)=O ZINC000411382656 330256335 /nfs/dbraw/zinc/25/63/35/330256335.db2.gz CSDMJBNVYLOCMO-VOJFVSQTSA-N 0 3 362.499 2.317 20 30 FEEDHN N#Cc1cc(Br)ccc1CN[C@H](CC(N)=O)C1CCOCC1 ZINC000554272880 674310304 /nfs/dbraw/zinc/31/03/04/674310304.db2.gz WLLDMCGFCGBKMI-OAHLLOKOSA-N 0 3 366.259 2.081 20 30 FEEDHN Cc1ccc(S(=O)(=O)N2CCC(NC[C@@H](C#N)CCC#N)CC2)cc1 ZINC000554452461 674317713 /nfs/dbraw/zinc/31/77/13/674317713.db2.gz UIEXQKNMWWZGDJ-MRXNPFEDSA-N 0 3 360.483 2.181 20 30 FEEDHN C#C[C@H](NC(=O)N[C@@H]1CCN(CCOC)C1)c1ccc(Cl)cc1F ZINC000805136223 674321880 /nfs/dbraw/zinc/32/18/80/674321880.db2.gz AWQYRMQCQOCMKJ-CJNGLKHVSA-N 0 3 353.825 2.173 20 30 FEEDHN CS(=O)(=O)NCC[C@H]1CCCCN1CCCOc1cccc(C#N)c1 ZINC000155620311 545549964 /nfs/dbraw/zinc/54/99/64/545549964.db2.gz BQJWXHISAQPIKI-QGZVFWFLSA-N 0 3 365.499 2.121 20 30 FEEDHN Cc1nc(CN2CCCN(CCCOc3cccc(C#N)c3)CC2)no1 ZINC000156191475 545607063 /nfs/dbraw/zinc/60/70/63/545607063.db2.gz LADPJEUUPHUZRD-UHFFFAOYSA-N 0 3 355.442 2.227 20 30 FEEDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157244083 545717895 /nfs/dbraw/zinc/71/78/95/545717895.db2.gz GPMGJZAEKQASLN-LLVKDONJSA-N 0 3 361.389 2.149 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000157605064 545760008 /nfs/dbraw/zinc/76/00/08/545760008.db2.gz JVCHLVRLLLRBDJ-UHFFFAOYSA-N 0 3 370.453 2.452 20 30 FEEDHN CN(C)Cc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000478133440 561160566 /nfs/dbraw/zinc/16/05/66/561160566.db2.gz GCCYVMQLBOZCJM-UHFFFAOYSA-N 0 3 361.442 2.379 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)cc1C#N ZINC000160178583 546014723 /nfs/dbraw/zinc/01/47/23/546014723.db2.gz DXIRAVPWIYBYJO-HNNXBMFYSA-N 0 3 372.469 2.275 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)NC[C@@H](O)CN2CCCCC2)cc1OC ZINC000160647251 546058754 /nfs/dbraw/zinc/05/87/54/546058754.db2.gz NXCZZSQTBSHULO-XSFOEPMVSA-N 0 3 374.481 2.236 20 30 FEEDHN N=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)Nc1ccccn1 ZINC000170910706 546181371 /nfs/dbraw/zinc/18/13/71/546181371.db2.gz UNWFMQNGCALOMU-LBPRGKRZSA-N 0 3 354.332 2.267 20 30 FEEDHN CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000171100341 546189799 /nfs/dbraw/zinc/18/97/99/546189799.db2.gz IORNWYWBMGERHP-KRWDZBQOSA-N 0 3 354.454 2.123 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCN([C@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000171586121 546215245 /nfs/dbraw/zinc/21/52/45/546215245.db2.gz CUJMLBJACFCEJP-GOSISDBHSA-N 0 3 369.509 2.246 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)CC1 ZINC000171715573 546220836 /nfs/dbraw/zinc/22/08/36/546220836.db2.gz WAGRHADPGPYJBF-SFHVURJKSA-N 0 3 368.485 2.304 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000172151076 546237856 /nfs/dbraw/zinc/23/78/56/546237856.db2.gz GZILFAOGYJGWML-IBGZPJMESA-N 0 3 370.497 2.474 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000173275436 546276944 /nfs/dbraw/zinc/27/69/44/546276944.db2.gz QJMNPYMWHBHAIG-UHFFFAOYSA-N 0 3 369.387 2.497 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000174638607 546301106 /nfs/dbraw/zinc/30/11/06/546301106.db2.gz WWCCAJGJXMOFES-AWEZNQCLSA-N 0 3 368.437 2.268 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000174738153 546302203 /nfs/dbraw/zinc/30/22/03/546302203.db2.gz LONLJHRMXRVUPX-ZDUSSCGKSA-N 0 3 356.401 2.398 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175967716 546381638 /nfs/dbraw/zinc/38/16/38/546381638.db2.gz MQKVWJSUXKPLLE-ZDUSSCGKSA-N 0 3 360.433 2.263 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 ZINC000176244567 546423679 /nfs/dbraw/zinc/42/36/79/546423679.db2.gz HXOXYRRSXFBHMO-UHFFFAOYSA-N 0 3 374.876 2.150 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000176314583 546431230 /nfs/dbraw/zinc/43/12/30/546431230.db2.gz IIROPVUVBRQAIY-UHFFFAOYSA-N 0 3 374.485 2.278 20 30 FEEDHN COc1cc2c(cc1OC)CN(CCNCc1cc(C#N)n(C)c1)CC2 ZINC000480342717 561207516 /nfs/dbraw/zinc/20/75/16/561207516.db2.gz IEGXGSOBSFRZLE-UHFFFAOYSA-N 0 3 354.454 2.062 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000480460715 561209769 /nfs/dbraw/zinc/20/97/69/561209769.db2.gz LBOOFKLYRMBQQH-CYBMUJFWSA-N 0 3 357.497 2.245 20 30 FEEDHN N#CC1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000177440596 546619094 /nfs/dbraw/zinc/61/90/94/546619094.db2.gz JULQVYKLSPRULJ-UHFFFAOYSA-N 0 3 354.454 2.373 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c(F)c1 ZINC000481026855 561223291 /nfs/dbraw/zinc/22/32/91/561223291.db2.gz UNLTXPQSZGHGSB-KRWDZBQOSA-N 0 3 365.474 2.477 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000178089979 546737314 /nfs/dbraw/zinc/73/73/14/546737314.db2.gz NIXVWIAYHSHICZ-UHFFFAOYSA-N 0 3 360.477 2.303 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)O/N=C/c1ccc(N2CCOCC2)cc1 ZINC000178123693 546742266 /nfs/dbraw/zinc/74/22/66/546742266.db2.gz MKUSABUQZRGUCX-QFGIDJEJSA-N 0 3 357.454 2.463 20 30 FEEDHN CN(C)C(=O)C1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179886843 547024549 /nfs/dbraw/zinc/02/45/49/547024549.db2.gz VRCITIIBMHYCHX-UHFFFAOYSA-N 0 3 351.454 2.259 20 30 FEEDHN CC(=O)N1CC[C@@H](CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180288297 547079292 /nfs/dbraw/zinc/07/92/92/547079292.db2.gz OLFVWIHWEDTTCR-KRWDZBQOSA-N 0 3 351.454 2.259 20 30 FEEDHN C=CCSCCN[C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000180454157 547110573 /nfs/dbraw/zinc/11/05/73/547110573.db2.gz POOUTTIORHFYEO-OAHLLOKOSA-N 0 3 370.540 2.277 20 30 FEEDHN COc1c2cnn(C)c2ncc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000181462902 547318798 /nfs/dbraw/zinc/31/87/98/547318798.db2.gz CEJNRXNMDHMGGD-LLVKDONJSA-N 0 3 360.377 2.354 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCSC2)cc1 ZINC000483460944 561277535 /nfs/dbraw/zinc/27/75/35/561277535.db2.gz RIGVVUPMLGRJMM-RYUDHWBXSA-N 0 3 353.469 2.247 20 30 FEEDHN NC(=O)C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000181969096 547415698 /nfs/dbraw/zinc/41/56/98/547415698.db2.gz YGFQKRFMUXKVKK-MRXNPFEDSA-N 0 3 370.371 2.197 20 30 FEEDHN C=C(C)COc1cc(CNC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)ccc1OC ZINC000182041220 547427133 /nfs/dbraw/zinc/42/71/33/547427133.db2.gz VKGRVEYKBFLFNH-WMZOPIPTSA-N 0 3 362.470 2.376 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnn([C@H](C)CC)c2C)CC1 ZINC000483872683 561285377 /nfs/dbraw/zinc/28/53/77/561285377.db2.gz PLOBJZDRWIVAMR-CQSZACIVSA-N 0 3 361.490 2.258 20 30 FEEDHN COC(=O)c1cn(C2CCN(CCCOc3cccc(C#N)c3)CC2)nn1 ZINC000183714620 547706493 /nfs/dbraw/zinc/70/64/93/547706493.db2.gz PVOLHBXTMXSVDM-UHFFFAOYSA-N 0 3 369.425 2.042 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000184598849 547852529 /nfs/dbraw/zinc/85/25/29/547852529.db2.gz IBDIXYOWPGJFJI-MRXNPFEDSA-N 0 3 360.458 2.389 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184617748 547855741 /nfs/dbraw/zinc/85/57/41/547855741.db2.gz YSLYOAKYIHAIAY-JKSUJKDBSA-N 0 3 359.474 2.125 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000185406817 547980635 /nfs/dbraw/zinc/98/06/35/547980635.db2.gz FBVRDBCBKTVCTD-AWEZNQCLSA-N 0 3 351.472 2.110 20 30 FEEDHN C=CCC[C@@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000185476489 547989513 /nfs/dbraw/zinc/98/95/13/547989513.db2.gz BNYNHAOWLAPNCM-MRXNPFEDSA-N 0 3 351.516 2.067 20 30 FEEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCC(=O)N(C)CCC#N ZINC000185644342 548013647 /nfs/dbraw/zinc/01/36/47/548013647.db2.gz MAVOMIYOWRPDHD-NSHDSACASA-N 0 3 359.396 2.475 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](O)Cc1ccccc1 ZINC000485791367 561328118 /nfs/dbraw/zinc/32/81/18/561328118.db2.gz SNPWFBNQJOVEHE-NRFANRHFSA-N 0 3 365.477 2.442 20 30 FEEDHN C=CC[N-]C(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(N(C)C)cc1 ZINC000186951964 548227610 /nfs/dbraw/zinc/22/76/10/548227610.db2.gz QWKOXDRDGFIIJI-UHFFFAOYSA-O 0 3 359.475 2.359 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000189930847 548314470 /nfs/dbraw/zinc/31/44/70/548314470.db2.gz DZGPMEIRUJESSU-LJQANCHMSA-N 0 3 367.493 2.179 20 30 FEEDHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(CCC#N)CCC(C)C ZINC000192602328 548367757 /nfs/dbraw/zinc/36/77/57/548367757.db2.gz SHLUHIZGAOOLKR-UHFFFAOYSA-N 0 3 369.535 2.012 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCCCN2)nc1C ZINC000237669130 548843606 /nfs/dbraw/zinc/84/36/06/548843606.db2.gz SKZCMTVICNIYHG-JTQLQIEISA-N 0 3 364.500 2.265 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000246004503 549034834 /nfs/dbraw/zinc/03/48/34/549034834.db2.gz GWKSKWZNAZMXME-MCIONIFRSA-N 0 3 360.433 2.118 20 30 FEEDHN Cc1oc(NC(=O)[C@H](C)N2CCC(N3CCO[C@@H](C)C3)CC2)c(C#N)c1C ZINC000246292652 549098907 /nfs/dbraw/zinc/09/89/07/549098907.db2.gz VGYVLUZKIZCVOE-ZFWWWQNUSA-N 0 3 374.485 2.280 20 30 FEEDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCCCCC1 ZINC000246387249 549121472 /nfs/dbraw/zinc/12/14/72/549121472.db2.gz OOLPLIYTRHWDEP-QUCCMNQESA-N 0 3 354.498 2.487 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@](C(=O)OC)(c3ccccc3)C2)CC1 ZINC000488808335 561397462 /nfs/dbraw/zinc/39/74/62/561397462.db2.gz YXVGCEFTERYFSP-OAQYLSRUSA-N 0 3 371.481 2.163 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000249174471 549564452 /nfs/dbraw/zinc/56/44/52/549564452.db2.gz LVVLVMOIDJRBGH-WMLDXEAASA-N 0 3 372.469 2.083 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)[C@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000490245538 561429590 /nfs/dbraw/zinc/42/95/90/561429590.db2.gz LPJGFJGDGHAMSU-ZWKOTPCHSA-N 0 3 373.497 2.170 20 30 FEEDHN C[C@@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000264019498 549968766 /nfs/dbraw/zinc/96/87/66/549968766.db2.gz KDFIOWOIHNNMBK-QGZVFWFLSA-N 0 3 369.513 2.288 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(-n3nnnc3C)c2)CC1 ZINC000264358731 549994468 /nfs/dbraw/zinc/99/44/68/549994468.db2.gz HGVVTENUJWIQPF-UHFFFAOYSA-N 0 3 355.446 2.133 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000264434022 549995928 /nfs/dbraw/zinc/99/59/28/549995928.db2.gz VHECYZKOZGHSBW-UHFFFAOYSA-N 0 3 356.470 2.028 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000265671716 550013255 /nfs/dbraw/zinc/01/32/55/550013255.db2.gz WPZAUOIDLPEYPD-GOSISDBHSA-N 0 3 355.486 2.193 20 30 FEEDHN C[C@@H](C1CC1)N(C(=O)CON=C(N)c1ccc(CN(C)C)cc1)C1CC1 ZINC000267132658 550027822 /nfs/dbraw/zinc/02/78/22/550027822.db2.gz FBCCLFFFBDWPQQ-AWEZNQCLSA-N 0 3 358.486 2.175 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(CC)c(CC)n[nH]c1=O)C(C)C ZINC000268258213 550041401 /nfs/dbraw/zinc/04/14/01/550041401.db2.gz RZMPIXNLVQENRO-QGZVFWFLSA-N 0 3 360.502 2.323 20 30 FEEDHN C=CCN(CCC(=O)N1CCN(c2ccccn2)CC1)CCc1ccco1 ZINC000491386492 561445146 /nfs/dbraw/zinc/44/51/46/561445146.db2.gz XDJPUKKLHZGQIO-UHFFFAOYSA-N 0 3 368.481 2.444 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@](C)(C(=O)OC)C2)c(OC)c1 ZINC000268333112 550051022 /nfs/dbraw/zinc/05/10/22/550051022.db2.gz JFYBZCPWKVGYAG-UZLBHIALSA-N 0 3 363.454 2.048 20 30 FEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268539982 550084970 /nfs/dbraw/zinc/08/49/70/550084970.db2.gz KKBWZIQBDPJDIC-NRFANRHFSA-N 0 3 362.477 2.381 20 30 FEEDHN C[C@H](Cn1cccn1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000269397765 550190913 /nfs/dbraw/zinc/19/09/13/550190913.db2.gz BZZSLOAUPXNGQD-CQSZACIVSA-N 0 3 364.371 2.048 20 30 FEEDHN C=C(C)[C@@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)OCC ZINC000270037573 550245027 /nfs/dbraw/zinc/24/50/27/550245027.db2.gz JBGZLMRFMAGIFX-QGZVFWFLSA-N 0 3 361.442 2.466 20 30 FEEDHN N#Cc1csc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000270584429 550286221 /nfs/dbraw/zinc/28/62/21/550286221.db2.gz DFJXEJGOYLMXBI-IRXDYDNUSA-N 0 3 355.463 2.233 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)/C=C/c2ccc(C#N)cc2)ccn1 ZINC000270708759 550299316 /nfs/dbraw/zinc/29/93/16/550299316.db2.gz ZHSZZNGROQEJOK-BQYQJAHWSA-N 0 3 350.422 2.223 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)Nc2cccc(OCC#N)c2)ccn1 ZINC000270776233 550305747 /nfs/dbraw/zinc/30/57/47/550305747.db2.gz SNUXSSQPTGRESE-UHFFFAOYSA-N 0 3 369.425 2.246 20 30 FEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)OCCCO2 ZINC000271415226 550373544 /nfs/dbraw/zinc/37/35/44/550373544.db2.gz ARJLMGPONIZKCV-LTFJSZEESA-N 0 3 357.410 2.025 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000275841488 550574885 /nfs/dbraw/zinc/57/48/85/550574885.db2.gz UUYMCDYWJNXNSR-HXUWFJFHSA-N 0 3 364.486 2.481 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)C[C@@H]1N(C)C ZINC000276120093 550577152 /nfs/dbraw/zinc/57/71/52/550577152.db2.gz WPHJZUFECQMICK-DZGCQCFKSA-N 0 3 363.487 2.273 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000278701696 550812907 /nfs/dbraw/zinc/81/29/07/550812907.db2.gz SYYARDYQMXHTHJ-ZFWWWQNUSA-N 0 3 365.455 2.453 20 30 FEEDHN C=C[C@@](C)(O)CC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000278921750 550836245 /nfs/dbraw/zinc/83/62/45/550836245.db2.gz RYVCPDMKQXBZLP-OAQYLSRUSA-N 0 3 359.514 2.028 20 30 FEEDHN C=C[C@](C)(O)CC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000278921747 550836396 /nfs/dbraw/zinc/83/63/96/550836396.db2.gz RYVCPDMKQXBZLP-NRFANRHFSA-N 0 3 359.514 2.028 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000281162828 551069525 /nfs/dbraw/zinc/06/95/25/551069525.db2.gz ZVFNKKJGEJZBOC-HOJAQTOUSA-N 0 3 373.497 2.034 20 30 FEEDHN COCCn1cc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000282690619 551260325 /nfs/dbraw/zinc/26/03/25/551260325.db2.gz KGBCBIKSKAGRSZ-UHFFFAOYSA-N 0 3 353.470 2.155 20 30 FEEDHN C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000283720198 551415424 /nfs/dbraw/zinc/41/54/24/551415424.db2.gz XILVHLDTMPCHKT-MRXNPFEDSA-N 0 3 360.506 2.057 20 30 FEEDHN CC(C)[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000283852317 551438473 /nfs/dbraw/zinc/43/84/73/551438473.db2.gz FUBJNTBGSGSRTE-IBGZPJMESA-N 0 3 370.497 2.047 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](CC)c2ccccc2OCC)CC1 ZINC000283999963 551465248 /nfs/dbraw/zinc/46/52/48/551465248.db2.gz HUTTYWPYBSSWOV-GOSISDBHSA-N 0 3 373.497 2.419 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000284074701 551479200 /nfs/dbraw/zinc/47/92/00/551479200.db2.gz RONMEPRZHNRGFI-QAPCUYQASA-N 0 3 356.470 2.116 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccncc1)C(C)C ZINC000284111736 551485737 /nfs/dbraw/zinc/48/57/37/551485737.db2.gz QGTRWTCTVQATBT-IEBWSBKVSA-N 0 3 372.513 2.416 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(OC)c2)CC1 ZINC000284134655 551489916 /nfs/dbraw/zinc/48/99/16/551489916.db2.gz OAXMTSAAORCZCC-OAHLLOKOSA-N 0 3 359.470 2.029 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000498119890 561516382 /nfs/dbraw/zinc/51/63/82/561516382.db2.gz UNXNJMHUZZJFCB-ICSRJNTNSA-N 0 3 359.514 2.463 20 30 FEEDHN CCOc1cc(CNCCn2cnc(C#N)n2)ccc1OCC(F)(F)F ZINC000285441635 551757304 /nfs/dbraw/zinc/75/73/04/551757304.db2.gz IHYUIXIHWYHCKJ-UHFFFAOYSA-N 0 3 369.347 2.279 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285576423 551777347 /nfs/dbraw/zinc/77/73/47/551777347.db2.gz OCIPZLCIQLUAGH-GOEBONIOSA-N 0 3 358.360 2.077 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000286508147 551894317 /nfs/dbraw/zinc/89/43/17/551894317.db2.gz KTJZQFVEIDIBHX-QFBILLFUSA-N 0 3 373.472 2.345 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286729863 551919565 /nfs/dbraw/zinc/91/95/65/551919565.db2.gz XQZKZEFRSAOXHL-HIFRSBDPSA-N 0 3 355.360 2.380 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)ns1)C(C)C ZINC000287291655 551985736 /nfs/dbraw/zinc/98/57/36/551985736.db2.gz CMISDOLJJTXLSX-AWEZNQCLSA-N 0 3 350.488 2.205 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000287655801 552030854 /nfs/dbraw/zinc/03/08/54/552030854.db2.gz KMLNECXJBSZZEQ-UHFFFAOYSA-N 0 3 364.833 2.443 20 30 FEEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1OC ZINC000499899888 561561022 /nfs/dbraw/zinc/56/10/22/561561022.db2.gz YTFCFNBRUKDZMM-QGZVFWFLSA-N 0 3 362.470 2.443 20 30 FEEDHN CCOC(=O)c1nn(C)cc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289919103 552399296 /nfs/dbraw/zinc/39/92/96/552399296.db2.gz VORWFDMGUGLTMA-UHFFFAOYSA-N 0 3 369.469 2.032 20 30 FEEDHN CCN(CCO)CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289947749 552404085 /nfs/dbraw/zinc/40/40/85/552404085.db2.gz WBTSOPXRAGQDEZ-UHFFFAOYSA-N 0 3 369.425 2.181 20 30 FEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000500777862 561582077 /nfs/dbraw/zinc/58/20/77/561582077.db2.gz YUVWXARMDZWWEX-MRXNPFEDSA-N 0 3 352.438 2.311 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)C(C)C ZINC000290346795 552464260 /nfs/dbraw/zinc/46/42/60/552464260.db2.gz YAGNZYSSXVDFAV-QGZVFWFLSA-N 0 3 373.501 2.051 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)CN(C)C(C)C)cc1C#N ZINC000290381833 552470176 /nfs/dbraw/zinc/47/01/76/552470176.db2.gz QXLAAILYSFQSNB-CQSZACIVSA-N 0 3 360.458 2.129 20 30 FEEDHN N#Cc1ncccc1N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000290469387 552483958 /nfs/dbraw/zinc/48/39/58/552483958.db2.gz AJCYVPRFDDXIFN-SFHVURJKSA-N 0 3 362.481 2.387 20 30 FEEDHN C=C[C@@](C)(O)CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000290632403 552510083 /nfs/dbraw/zinc/51/00/83/552510083.db2.gz YUAJZYRUZGFRPE-LJQANCHMSA-N 0 3 350.434 2.112 20 30 FEEDHN N#CCOc1ccc(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000290739443 552529329 /nfs/dbraw/zinc/52/93/29/552529329.db2.gz PZHRVSWUDVWRBZ-LJQANCHMSA-N 0 3 371.462 2.404 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2noc(COC(C)C)n2)CC1 ZINC000290759164 552533678 /nfs/dbraw/zinc/53/36/78/552533678.db2.gz PUJRFXMSBDQMKT-ZDUSSCGKSA-N 0 3 351.451 2.005 20 30 FEEDHN O=C(NCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1)C1N=CC=CC1=O ZINC000292224014 552706182 /nfs/dbraw/zinc/70/61/82/552706182.db2.gz QRYUZXXWRLNSTP-HTZASDLASA-N 0 3 373.428 2.409 20 30 FEEDHN C=CCOCCN(C[C@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000293114874 552790182 /nfs/dbraw/zinc/79/01/82/552790182.db2.gz OUFSHAYBJZXFBE-SFHVURJKSA-N 0 3 350.459 2.298 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000293179849 552796432 /nfs/dbraw/zinc/79/64/32/552796432.db2.gz JXHOMHPDOJAONR-UHFFFAOYSA-N 0 3 358.486 2.243 20 30 FEEDHN CN1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000293361649 552815403 /nfs/dbraw/zinc/81/54/03/552815403.db2.gz MDHIJEFYEQEWSV-SFHVURJKSA-N 0 3 360.845 2.094 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccnc1-c1ccc(C)s1 ZINC000293425052 552822371 /nfs/dbraw/zinc/82/23/71/552822371.db2.gz QHYAKSAZVGNBOF-UHFFFAOYSA-N 0 3 370.478 2.128 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)N[C@H](CO)CN2CCCCC2)c1 ZINC000293572155 552836689 /nfs/dbraw/zinc/83/66/89/552836689.db2.gz JBWUKCXFTPTTBM-SFHVURJKSA-N 0 3 359.470 2.070 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000293604430 552839582 /nfs/dbraw/zinc/83/95/82/552839582.db2.gz DEIUYZTVKSTKKA-HNNXBMFYSA-N 0 3 357.454 2.278 20 30 FEEDHN CCc1ccc(C#CC(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1 ZINC000293783309 552856319 /nfs/dbraw/zinc/85/63/19/552856319.db2.gz ZNUWMSPGBMWELS-UHFFFAOYSA-N 0 3 353.510 2.087 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000294055234 552878423 /nfs/dbraw/zinc/87/84/23/552878423.db2.gz UPKUSJYDRLOPII-UHFFFAOYSA-N 0 3 350.850 2.118 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCC[C@@H](C)C1 ZINC000294338685 552898132 /nfs/dbraw/zinc/89/81/32/552898132.db2.gz JRMVCEVEORUYQX-KGLIPLIRSA-N 0 3 353.463 2.237 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@]2(C#N)CC23CCCC3)c1 ZINC000294576420 552917181 /nfs/dbraw/zinc/91/71/81/552917181.db2.gz MCJLZIRRRUKPSA-NRFANRHFSA-N 0 3 368.481 2.068 20 30 FEEDHN CC1(C)C(=O)N[C@H]1C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000294833963 552937563 /nfs/dbraw/zinc/93/75/63/552937563.db2.gz REGRNAVBIQPTIR-ROUUACIJSA-N 0 3 364.449 2.004 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295133286 552962158 /nfs/dbraw/zinc/96/21/58/552962158.db2.gz LHKGWPKEMRIQMG-IEBWSBKVSA-N 0 3 372.513 2.205 20 30 FEEDHN C[C@@H](CCNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCCCC1 ZINC000295214715 552970573 /nfs/dbraw/zinc/97/05/73/552970573.db2.gz XBKIITAUBUSCBX-AWEZNQCLSA-N 0 3 353.463 2.381 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000296280263 553134304 /nfs/dbraw/zinc/13/43/04/553134304.db2.gz BRLGDINQRDHRCX-AWEZNQCLSA-N 0 3 371.441 2.061 20 30 FEEDHN CC(C#N)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000503283523 561638789 /nfs/dbraw/zinc/63/87/89/561638789.db2.gz MZNKIVLLPHASFL-DOMZBBRYSA-N 0 3 361.243 2.318 20 30 FEEDHN CCO[C@@H]1C[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1SC ZINC000298130422 553388136 /nfs/dbraw/zinc/38/81/36/553388136.db2.gz PYDMVCNPCBDTKE-FJIDUMEYSA-N 0 3 359.495 2.158 20 30 FEEDHN C[C@H](C#N)CN(C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000298654556 553454709 /nfs/dbraw/zinc/45/47/09/553454709.db2.gz CRWKTQIVEKXFFZ-MJGOQNOKSA-N 0 3 357.502 2.166 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N(C)C ZINC000299165490 553523973 /nfs/dbraw/zinc/52/39/73/553523973.db2.gz FPBHSLZBALJRRE-AWEZNQCLSA-N 0 3 366.421 2.355 20 30 FEEDHN N#Cc1cc(N2CCN(C3CCOCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301459970 553653329 /nfs/dbraw/zinc/65/33/29/553653329.db2.gz DFRARYMUYVRSQT-UHFFFAOYSA-N 0 3 367.409 2.316 20 30 FEEDHN CCN1CCC(NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000328876776 553837409 /nfs/dbraw/zinc/83/74/09/553837409.db2.gz STQQVURNTKWEBG-UHFFFAOYSA-N 0 3 350.507 2.109 20 30 FEEDHN CCN1C[C@H](C)N(C(=O)NC2CCN(Cc3ccncc3)CC2)C[C@H]1C ZINC000328936593 553848354 /nfs/dbraw/zinc/84/83/54/553848354.db2.gz CQRSBSJTRSPHKR-SJORKVTESA-N 0 3 359.518 2.375 20 30 FEEDHN CCN1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000328963250 553854532 /nfs/dbraw/zinc/85/45/32/553854532.db2.gz LJFYSZCZNKUWAS-MRXNPFEDSA-N 0 3 373.453 2.461 20 30 FEEDHN C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)N1CCC[C@@H](C)C1 ZINC000329036993 553869092 /nfs/dbraw/zinc/86/90/92/553869092.db2.gz NDWPWGYFDFAHMT-BFMVXSJESA-N 0 3 367.534 2.273 20 30 FEEDHN CN1CCC2(CCCN2C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000329051025 553872043 /nfs/dbraw/zinc/87/20/43/553872043.db2.gz HCUMNHOVOMGZOP-UHFFFAOYSA-N 0 3 365.499 2.337 20 30 FEEDHN C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)N1CCC(C)CC1 ZINC000506108595 561690556 /nfs/dbraw/zinc/69/05/56/561690556.db2.gz JUYPKIVNIHLHOG-DNVCBOLYSA-N 0 3 351.491 2.485 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3C(C)(C)C)CC2)o1 ZINC000329111927 553882587 /nfs/dbraw/zinc/88/25/87/553882587.db2.gz RDDOPQRTFKDAGB-INIZCTEOSA-N 0 3 359.474 2.014 20 30 FEEDHN CN1CCOC[C@H]1C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000329131676 553886408 /nfs/dbraw/zinc/88/64/08/553886408.db2.gz OXKZILDVQOPEHC-WBVHZDCISA-N 0 3 360.458 2.352 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000329143914 553888375 /nfs/dbraw/zinc/88/83/75/553888375.db2.gz VWKLXFWMSXKCOX-QTVCLEQKSA-N 0 3 367.534 2.273 20 30 FEEDHN CC1CCN(CCNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329155194 553890768 /nfs/dbraw/zinc/89/07/68/553890768.db2.gz VBRQVUVVVYHTNE-MRXNPFEDSA-N 0 3 350.507 2.156 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329166304 553893472 /nfs/dbraw/zinc/89/34/72/553893472.db2.gz HWRHKHKPNINQJQ-INIZCTEOSA-N 0 3 362.518 2.394 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329190909 553898813 /nfs/dbraw/zinc/89/88/13/553898813.db2.gz RZJKXHINWOPMPM-NXHRZFHOSA-N 0 3 362.518 2.393 20 30 FEEDHN CCC1CCC(N(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000329203793 553901656 /nfs/dbraw/zinc/90/16/56/553901656.db2.gz XJSOUWUBFHOXHQ-UHFFFAOYSA-N 0 3 373.501 2.404 20 30 FEEDHN CC1(C)CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@H]1O ZINC000329245763 553909862 /nfs/dbraw/zinc/90/98/62/553909862.db2.gz QTECNVFLRBCULP-OAHLLOKOSA-N 0 3 355.548 2.355 20 30 FEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000329243856 553909871 /nfs/dbraw/zinc/90/98/71/553909871.db2.gz TYRDYQMZQOPTMT-ULQDDVLXSA-N 0 3 361.490 2.207 20 30 FEEDHN CN(C(=O)CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)C1CCCCC1 ZINC000329262551 553913656 /nfs/dbraw/zinc/91/36/56/553913656.db2.gz DFMPZDKAPBVRPZ-NVXWUHKLSA-N 0 3 350.507 2.108 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc(Cn4ccnc4)cc3)[C@@H]2C1 ZINC000329279622 553916512 /nfs/dbraw/zinc/91/65/12/553916512.db2.gz LTKDYSAFKHUAEH-RTBURBONSA-N 0 3 353.470 2.371 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]4CN(C)CC[C@@H]43)C2)nn1 ZINC000329290966 553918986 /nfs/dbraw/zinc/91/89/86/553918986.db2.gz QOKIZAAFJZFHOT-SQNIBIBYSA-N 0 3 372.517 2.084 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]4CN(C)CC[C@H]43)C2)nn1 ZINC000329290964 553919153 /nfs/dbraw/zinc/91/91/53/553919153.db2.gz QOKIZAAFJZFHOT-FGTMMUONSA-N 0 3 372.517 2.084 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)C1 ZINC000329298789 553920316 /nfs/dbraw/zinc/92/03/16/553920316.db2.gz UUYIJBHAPKKTSC-GGXPGOJBSA-N 0 3 353.507 2.289 20 30 FEEDHN CC(C)N1CCCN(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)CC1 ZINC000329336622 553927481 /nfs/dbraw/zinc/92/74/81/553927481.db2.gz LWORZLRRPMXUQQ-QGZVFWFLSA-N 0 3 363.506 2.218 20 30 FEEDHN CN(C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@@H]1CN2CCC1CC2 ZINC000329426966 553944696 /nfs/dbraw/zinc/94/46/96/553944696.db2.gz GPWZDVQQAQDFRB-IEBWSBKVSA-N 0 3 370.497 2.497 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)CCN1C ZINC000329645637 553981265 /nfs/dbraw/zinc/98/12/65/553981265.db2.gz DKDALMUFCPGZAD-NEPJUHHUSA-N 0 3 366.512 2.428 20 30 FEEDHN Cc1csc(NC(=O)CN2CCC(C)(CN3CCN(C)CC3)CC2)n1 ZINC000329681124 553987235 /nfs/dbraw/zinc/98/72/35/553987235.db2.gz RUEOAZFPWGTJQM-UHFFFAOYSA-N 0 3 365.547 2.389 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000329701908 553991881 /nfs/dbraw/zinc/99/18/81/553991881.db2.gz HQWGXEMYXBSOOI-KFWWJZLASA-N 0 3 363.462 2.107 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000329758190 554001198 /nfs/dbraw/zinc/00/11/98/554001198.db2.gz ZVLMWEYXEZFJDL-CALCHBBNSA-N 0 3 372.513 2.404 20 30 FEEDHN CCc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)CC2)cc1 ZINC000329824010 554013144 /nfs/dbraw/zinc/01/31/44/554013144.db2.gz ZTVHAOZYVQKTFE-QFBILLFUSA-N 0 3 372.513 2.404 20 30 FEEDHN O=C(NC1CCCCC1)N1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000329863859 554020957 /nfs/dbraw/zinc/02/09/57/554020957.db2.gz ZKZPELFFKDZGSX-GOSISDBHSA-N 0 3 362.518 2.252 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000329918230 554031453 /nfs/dbraw/zinc/03/14/53/554031453.db2.gz ZRYDIMLODUMUPF-IIDMSEBBSA-N 0 3 361.490 2.079 20 30 FEEDHN O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000329934830 554035089 /nfs/dbraw/zinc/03/50/89/554035089.db2.gz CDYUUEYHPMVKLN-RTBURBONSA-N 0 3 371.481 2.387 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000329946563 554036614 /nfs/dbraw/zinc/03/66/14/554036614.db2.gz GNASSQSRDCMQGZ-APWZRJJASA-N 0 3 353.507 2.435 20 30 FEEDHN CN(Cc1ccccc1NC(=O)[C@H]1CCCN1C)C(=O)[C@@H]1CCCN1C ZINC000329959219 554039363 /nfs/dbraw/zinc/03/93/63/554039363.db2.gz QMKDHWJGLHBBRT-MSOLQXFVSA-N 0 3 358.486 2.421 20 30 FEEDHN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000329992550 554045739 /nfs/dbraw/zinc/04/57/39/554045739.db2.gz XOZYQEQXUHRGAT-AYOQOUSVSA-N 0 3 358.486 2.021 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000330031228 554052178 /nfs/dbraw/zinc/05/21/78/554052178.db2.gz SWHCVKFLVKELDA-XCRHUMRWSA-N 0 3 362.474 2.193 20 30 FEEDHN C[C@H](CNC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1)N1CCC(C)CC1 ZINC000330137537 554071995 /nfs/dbraw/zinc/07/19/95/554071995.db2.gz UYMOGVYUJFHRPP-AOIWGVFYSA-N 0 3 353.507 2.291 20 30 FEEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000330146945 554073728 /nfs/dbraw/zinc/07/37/28/554073728.db2.gz TUPORCMLFGFGOO-CHWSQXEVSA-N 0 3 357.414 2.432 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000330186099 554080685 /nfs/dbraw/zinc/08/06/85/554080685.db2.gz JNWGWLNSENMIAM-HNNXBMFYSA-N 0 3 367.453 2.293 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1F ZINC000330197202 554082880 /nfs/dbraw/zinc/08/28/80/554082880.db2.gz RMHXLHQKCCDXFB-KSSFIOAISA-N 0 3 363.458 2.335 20 30 FEEDHN Cc1nnsc1CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330272412 554097019 /nfs/dbraw/zinc/09/70/19/554097019.db2.gz XPWOGRZFOIBZBO-BETUJISGSA-N 0 3 367.519 2.082 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000330272567 554097081 /nfs/dbraw/zinc/09/70/81/554097081.db2.gz XSLLWWGGBYJVJL-HPBDAGMYSA-N 0 3 351.491 2.043 20 30 FEEDHN C[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1)N1CCC(C)CC1 ZINC000330322017 554105154 /nfs/dbraw/zinc/10/51/54/554105154.db2.gz GMNZTNKSYFYMFL-NUJGCVRESA-N 0 3 363.506 2.264 20 30 FEEDHN COCCN1CC[C@@H](NC(=O)NCc2ccc(Br)s2)C1 ZINC000330844037 554178415 /nfs/dbraw/zinc/17/84/15/554178415.db2.gz OEKSEYPQBGXOBO-SNVBAGLBSA-N 0 3 362.293 2.235 20 30 FEEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000331099124 554212528 /nfs/dbraw/zinc/21/25/28/554212528.db2.gz CAENOMULJWEFIO-BEFAXECRSA-N 0 3 364.511 2.499 20 30 FEEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000331099127 554212748 /nfs/dbraw/zinc/21/27/48/554212748.db2.gz CAENOMULJWEFIO-KXBFYZLASA-N 0 3 364.511 2.499 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(C)C)CC1 ZINC000508826568 561774171 /nfs/dbraw/zinc/77/41/71/561774171.db2.gz ONZUEXHZXCZGIY-UHFFFAOYSA-N 0 3 362.522 2.161 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000508984460 561780268 /nfs/dbraw/zinc/78/02/68/561780268.db2.gz FNEWXHQEXIXCMK-HNNXBMFYSA-N 0 3 359.474 2.044 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)C2)n1 ZINC000331582386 554289054 /nfs/dbraw/zinc/28/90/54/554289054.db2.gz JFMZRHKKIAQTFV-AYOQOUSVSA-N 0 3 369.513 2.323 20 30 FEEDHN CCN1CCN(CCNC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000509498788 561802518 /nfs/dbraw/zinc/80/25/18/561802518.db2.gz PINXTMMGNVJPPC-UHFFFAOYSA-N 0 3 367.497 2.312 20 30 FEEDHN CO[C@@H]1CC[C@@H]2OCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000332185756 554396916 /nfs/dbraw/zinc/39/69/16/554396916.db2.gz WQLUBARVPCGUCT-YRXWBPOGSA-N 0 3 353.422 2.035 20 30 FEEDHN CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000510646666 561841982 /nfs/dbraw/zinc/84/19/82/561841982.db2.gz MPUUDHDUQCYZSH-UHFFFAOYSA-N 0 3 372.469 2.156 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)C2)n1 ZINC000333055685 554565682 /nfs/dbraw/zinc/56/56/82/554565682.db2.gz MDUYQCQIKWDSIK-BPQIPLTHSA-N 0 3 367.497 2.220 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000333644890 554630389 /nfs/dbraw/zinc/63/03/89/554630389.db2.gz XXQPAZSGHSMFBU-ZDUSSCGKSA-N 0 3 356.470 2.199 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000334078375 554675342 /nfs/dbraw/zinc/67/53/42/554675342.db2.gz KOQGAPPHDBQADK-DKKFBQAASA-N 0 3 365.518 2.251 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)C1=O ZINC000348586304 554689613 /nfs/dbraw/zinc/68/96/13/554689613.db2.gz KYVVZHSUYTTYNT-NUJGCVRESA-N 0 3 371.481 2.266 20 30 FEEDHN N#Cc1ccc(-c2cnc(CN3CCN(C[C@@H]4CCOC4)CC3)o2)cc1 ZINC000363131339 555037362 /nfs/dbraw/zinc/03/73/62/555037362.db2.gz KLABKVLTUCOZDA-KRWDZBQOSA-N 0 3 352.438 2.367 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000363149920 555040776 /nfs/dbraw/zinc/04/07/76/555040776.db2.gz IBYRLEOOTMQZAF-OALUTQOASA-N 0 3 356.470 2.199 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000511909694 561884915 /nfs/dbraw/zinc/88/49/15/561884915.db2.gz KDYNTQSLPPGPBT-KRWDZBQOSA-N 0 3 373.476 2.403 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000363418147 555100580 /nfs/dbraw/zinc/10/05/80/555100580.db2.gz MVIXZKQAVXEZDU-KCITZHQASA-N 0 3 371.481 2.331 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000363491623 555119576 /nfs/dbraw/zinc/11/95/76/555119576.db2.gz VUZJMGHGORLMPL-IBGZPJMESA-N 0 3 370.497 2.127 20 30 FEEDHN COCCCN1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000363585516 555142332 /nfs/dbraw/zinc/14/23/32/555142332.db2.gz BVXYHULOFQSKSW-RMKNXTFCSA-N 0 3 357.454 2.173 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000363663063 555158562 /nfs/dbraw/zinc/15/85/62/555158562.db2.gz YQDYKWQYWQRFCK-QGZVFWFLSA-N 0 3 365.543 2.235 20 30 FEEDHN CN1CCN(C[C@@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000363672028 555160706 /nfs/dbraw/zinc/16/07/06/555160706.db2.gz MESQNRFHDDXUJN-SFHVURJKSA-N 0 3 372.538 2.136 20 30 FEEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000363890819 555207971 /nfs/dbraw/zinc/20/79/71/555207971.db2.gz SCBSKIZLUHXTMB-LJQANCHMSA-N 0 3 366.550 2.444 20 30 FEEDHN Cc1c(C(=O)N[C@](C)(C#N)C(C)C)nnn1-c1cccc2c1CCN(C)C2 ZINC000364168746 555262338 /nfs/dbraw/zinc/26/23/38/555262338.db2.gz RMLPCZKOCUOPGR-HXUWFJFHSA-N 0 3 366.469 2.232 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC(N2CCN(CCC)CC2)CC1 ZINC000364452367 555316398 /nfs/dbraw/zinc/31/63/98/555316398.db2.gz DIPHVYPYHJDTLD-HXUWFJFHSA-N 0 3 351.535 2.234 20 30 FEEDHN C=CCN(C(=O)COCc1nc(C)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364579261 555343899 /nfs/dbraw/zinc/34/38/99/555343899.db2.gz VKHCBVDDWWUVSA-GOSISDBHSA-N 0 3 370.453 2.184 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000364772660 555398661 /nfs/dbraw/zinc/39/86/61/555398661.db2.gz ORUJWABEFYXMCD-HNNXBMFYSA-N 0 3 370.453 2.003 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(c3nnc[nH]3)CC2)c(OC)c1 ZINC000365922043 555701709 /nfs/dbraw/zinc/70/17/09/555701709.db2.gz XBZIIGDSVAYKBI-KRWDZBQOSA-N 0 3 372.469 2.161 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](CC)O[C@]3(CCCOC3)C2)CC1 ZINC000366303424 555806410 /nfs/dbraw/zinc/80/64/10/555806410.db2.gz GGRZDYWGLHEVEN-PKOBYXMFSA-N 0 3 351.491 2.006 20 30 FEEDHN N#Cc1ccc(N2CCCN(C[C@H](O)COCC(F)(F)F)CC2)cc1 ZINC000366446160 555846275 /nfs/dbraw/zinc/84/62/75/555846275.db2.gz ZWFWAVIAKCWUAK-INIZCTEOSA-N 0 3 357.376 2.010 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000367251480 556004048 /nfs/dbraw/zinc/00/40/48/556004048.db2.gz GDJVAAVPDLYHTB-FUHWJXTLSA-N 0 3 368.481 2.421 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1cc(S(N)(=O)=O)ccc1C#N ZINC000367326533 556019095 /nfs/dbraw/zinc/01/90/95/556019095.db2.gz KPSBTXHNCWAILF-AUUYWEPGSA-N 0 3 370.478 2.138 20 30 FEEDHN C=CCOc1ccc(CN2CCN([C@H]3CCCN(C)C3)CC2)cc1OC ZINC000367472561 556059647 /nfs/dbraw/zinc/05/96/47/556059647.db2.gz OXUBJFPQCUFPQB-IBGZPJMESA-N 0 3 359.514 2.472 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@@H]2[C@H]1c1ccccc1 ZINC000367708599 556120212 /nfs/dbraw/zinc/12/02/12/556120212.db2.gz VFRYSNKGNLUDBW-FGTMMUONSA-N 0 3 361.511 2.491 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1N=NC(=O)S1 ZINC000515174228 561998987 /nfs/dbraw/zinc/99/89/87/561998987.db2.gz XQFYJDQWRHXNNN-UHFFFAOYSA-N 0 3 366.516 2.342 20 30 FEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000515694925 562019690 /nfs/dbraw/zinc/01/96/90/562019690.db2.gz OSVYAWKEPTWLOD-LJQANCHMSA-N 0 3 370.497 2.143 20 30 FEEDHN Cc1c(C(=O)N(C)C2(C#N)CCC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000369118548 556509504 /nfs/dbraw/zinc/50/95/04/556509504.db2.gz SSEAHTJMYUFBAH-UHFFFAOYSA-N 0 3 364.453 2.082 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000369137122 556513975 /nfs/dbraw/zinc/51/39/75/556513975.db2.gz KNARQSCHJUWSJM-IBGZPJMESA-N 0 3 367.497 2.477 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000516306736 562039170 /nfs/dbraw/zinc/03/91/70/562039170.db2.gz UNLCNXZCOITINF-CABCVRRESA-N 0 3 372.469 2.275 20 30 FEEDHN C=CCN(C(=O)c1ccc(OC)nn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000369570769 556634405 /nfs/dbraw/zinc/63/44/05/556634405.db2.gz TXWDRAUZWHLAOP-KRWDZBQOSA-N 0 3 352.438 2.388 20 30 FEEDHN COCCCN1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000369903826 556725775 /nfs/dbraw/zinc/72/57/75/556725775.db2.gz CIZGFMZEZDHIRN-UHFFFAOYSA-N 0 3 364.877 2.194 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000516865650 562061447 /nfs/dbraw/zinc/06/14/47/562061447.db2.gz SNLCYWNDXWNCAP-ZENOOKHLSA-N 0 3 363.439 2.015 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371241852 557117049 /nfs/dbraw/zinc/11/70/49/557117049.db2.gz DNXSJBBYJLMGBE-GOSISDBHSA-N 0 3 356.470 2.199 20 30 FEEDHN C#CCNC(=O)[C@@H](C)N(C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000371248653 557119075 /nfs/dbraw/zinc/11/90/75/557119075.db2.gz DLUZBEMBVIIVMQ-MRXNPFEDSA-N 0 3 356.470 2.000 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)c1C#N ZINC000517502584 562091463 /nfs/dbraw/zinc/09/14/63/562091463.db2.gz CKMSHDFWWOLGHU-UHFFFAOYSA-N 0 3 368.372 2.480 20 30 FEEDHN CCN1CCc2c(cccc2-n2nnc(C(=O)N(C)[C@H](C)CC#N)c2C)C1 ZINC000371585152 557230228 /nfs/dbraw/zinc/23/02/28/557230228.db2.gz GUIWXWUSVLCOPL-CQSZACIVSA-N 0 3 366.469 2.328 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCCCN2C(=O)C2CCCC2)CC1 ZINC000371824949 557304523 /nfs/dbraw/zinc/30/45/23/557304523.db2.gz OMRBMZKMMQEECW-LJQANCHMSA-N 0 3 359.514 2.162 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000518366212 562109644 /nfs/dbraw/zinc/10/96/44/562109644.db2.gz QMFKEIWHIANWFJ-KRWDZBQOSA-N 0 3 357.454 2.421 20 30 FEEDHN C=CCN(C(=O)c1ccn(CCOC)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372612541 557521079 /nfs/dbraw/zinc/52/10/79/557521079.db2.gz VJGNNNPZXAAJHF-IBGZPJMESA-N 0 3 368.481 2.432 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000372653764 557530416 /nfs/dbraw/zinc/53/04/16/557530416.db2.gz FTTFAKWSMRSVNF-LZQZEXGQSA-N 0 3 356.470 2.247 20 30 FEEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@]2(C1)CCCN(C)C2=O ZINC000372901551 557585014 /nfs/dbraw/zinc/58/50/14/557585014.db2.gz GCVMCSDAZAALRY-YJYMSZOUSA-N 0 3 374.872 2.483 20 30 FEEDHN CN1C(=O)N[C@]2(CCC[C@@H]2CNCc2ccc(F)c(C#N)c2Cl)C1=O ZINC000372993771 557605449 /nfs/dbraw/zinc/60/54/49/557605449.db2.gz WGILZOKUOGEXHF-DIFFPNOSSA-N 0 3 364.808 2.161 20 30 FEEDHN COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1cccc(C)c1C#N ZINC000373181520 557645091 /nfs/dbraw/zinc/64/50/91/557645091.db2.gz UIYGYGBROUXHLD-MRXNPFEDSA-N 0 3 357.435 2.474 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cnn(CC3CCOCC3)c2C)CC1 ZINC000373521920 557710587 /nfs/dbraw/zinc/71/05/87/557710587.db2.gz OOIYKHUYNVDDHA-UHFFFAOYSA-N 0 3 360.502 2.388 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@]3(C2)c2ccccc2NC3=O)CC1 ZINC000373599666 557726774 /nfs/dbraw/zinc/72/67/74/557726774.db2.gz VSNFJYCLRYXKSN-NRFANRHFSA-N 0 3 368.481 2.332 20 30 FEEDHN C=CCN(C[C@H](O)CO[C@H](C)COC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000373910585 557785135 /nfs/dbraw/zinc/78/51/35/557785135.db2.gz ZYUMZEGANJVHJY-GIVPXCGWSA-N 0 3 362.514 2.161 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)N[C@H]2c3ccccc3CC[C@@H]2N(C)C)C1=O ZINC000373950428 557794801 /nfs/dbraw/zinc/79/48/01/557794801.db2.gz MOZHWFBUOSSNJE-FHWLQOOXSA-N 0 3 370.497 2.032 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)N3CCC(C)CC3)cc2C1=O ZINC000520868809 562165337 /nfs/dbraw/zinc/16/53/37/562165337.db2.gz XUBWRQBZTQDBGM-HNNXBMFYSA-N 0 3 369.465 2.319 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1[C@H]1CCCN1C(C)=O ZINC000374175769 557837733 /nfs/dbraw/zinc/83/77/33/557837733.db2.gz PHZQHISQGMRVHW-QZTJIDSGSA-N 0 3 357.454 2.421 20 30 FEEDHN CN(C)Cc1cccc(C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374379519 557875296 /nfs/dbraw/zinc/87/52/96/557875296.db2.gz HEVQRPNLNQMFCI-HTAPYJJXSA-N 0 3 374.444 2.234 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CCCC2(C#N)CCOCC2)O1 ZINC000374558632 557899597 /nfs/dbraw/zinc/89/95/97/557899597.db2.gz ALJCHRJERMCZSR-VQHPVUNQSA-N 0 3 350.459 2.270 20 30 FEEDHN CC(C)N1CCN(CCCN2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000375600201 558054887 /nfs/dbraw/zinc/05/48/87/558054887.db2.gz SMLKFCKMOPHWIW-OAQYLSRUSA-N 0 3 356.514 2.348 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cccn(Cc3ccccc3)c2=O)CC1 ZINC000521576525 562179044 /nfs/dbraw/zinc/17/90/44/562179044.db2.gz OQXZJGDUSKCZGH-UHFFFAOYSA-N 0 3 351.450 2.277 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000376045848 558119024 /nfs/dbraw/zinc/11/90/24/558119024.db2.gz OWSHZNDOMPYKET-UHFFFAOYSA-N 0 3 369.469 3.036 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000376223999 558144071 /nfs/dbraw/zinc/14/40/71/558144071.db2.gz DKMHCZSEIRRKJD-LJQANCHMSA-N 0 3 371.529 2.243 20 30 FEEDHN CCN1CCN(CCCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000376546807 558188461 /nfs/dbraw/zinc/18/84/61/558188461.db2.gz FJOBPBZCDQLNPC-JOCHJYFZSA-N 0 3 368.525 2.219 20 30 FEEDHN CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN3CCC2CC3)ccc1OC ZINC000376684378 558208109 /nfs/dbraw/zinc/20/81/09/558208109.db2.gz AXXIAMGFHGZSOQ-KRWDZBQOSA-N 0 3 372.469 2.366 20 30 FEEDHN CN1CC[C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000376730320 558214107 /nfs/dbraw/zinc/21/41/07/558214107.db2.gz WXKDPNNLUTXEFQ-ACRUOGEOSA-N 0 3 373.460 2.445 20 30 FEEDHN C=CC[C@@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000376906459 558237309 /nfs/dbraw/zinc/23/73/09/558237309.db2.gz FMSKFNZJIINZIY-RTBURBONSA-N 0 3 355.482 2.287 20 30 FEEDHN C=CCN(C(=O)NCC[C@H]1CCC(=O)N1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000377265183 558301782 /nfs/dbraw/zinc/30/17/82/558301782.db2.gz LVCOKKRBOJPTTM-MOPGFXCFSA-N 0 3 370.497 2.127 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(CCN(C)C)C3CC3)C2)n1 ZINC000377305223 558310651 /nfs/dbraw/zinc/31/06/51/558310651.db2.gz COAXFRLLYXNDSM-KRWDZBQOSA-N 0 3 355.486 2.031 20 30 FEEDHN COC(=O)c1cc(CN[C@H]2CCCN(c3ccccc3C#N)C2)cn1C ZINC000377645307 558385772 /nfs/dbraw/zinc/38/57/72/558385772.db2.gz HZLSNJSRIMRXCV-KRWDZBQOSA-N 0 3 352.438 2.442 20 30 FEEDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc(C#N)cc4OC)C[C@H]3C2)no1 ZINC000378363944 558539931 /nfs/dbraw/zinc/53/99/31/558539931.db2.gz ZIAHOSHTVNLLEP-CALCHBBNSA-N 0 3 367.453 2.076 20 30 FEEDHN CCc1nc(C#N)cc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)n1 ZINC000404181506 558631465 /nfs/dbraw/zinc/63/14/65/558631465.db2.gz JKULFTSNIDOYRU-OALUTQOASA-N 0 3 363.465 2.390 20 30 FEEDHN CN(C)CCOc1cc(CNc2ccc(C(F)(F)F)c(C#N)n2)ccn1 ZINC000409729109 558717069 /nfs/dbraw/zinc/71/70/69/558717069.db2.gz RHQADOHRPHEYCY-UHFFFAOYSA-N 0 3 365.359 2.920 20 30 FEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000410137719 558741279 /nfs/dbraw/zinc/74/12/79/558741279.db2.gz NYWWQJJXGIXGIJ-JKSUJKDBSA-N 0 3 366.531 2.432 20 30 FEEDHN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000411480060 558902026 /nfs/dbraw/zinc/90/20/26/558902026.db2.gz VFZOMQFIIMCJDV-KRWDZBQOSA-N 0 3 359.470 2.441 20 30 FEEDHN CNC(=O)C[C@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411678567 558942202 /nfs/dbraw/zinc/94/22/02/558942202.db2.gz LYSOPGHTKLULHQ-SFHVURJKSA-N 0 3 350.422 2.354 20 30 FEEDHN CO[C@](C)([C@@H](C)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000411968929 558997134 /nfs/dbraw/zinc/99/71/34/558997134.db2.gz KQHFUQTWJLRROZ-JLTOFOAXSA-N 0 3 367.453 2.476 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000413836904 559133870 /nfs/dbraw/zinc/13/38/70/559133870.db2.gz PYPRYAGMRMZXSS-UYAOXDASSA-N 0 3 358.530 2.499 20 30 FEEDHN C=CC[C@H](C)NC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413841852 559134113 /nfs/dbraw/zinc/13/41/13/559134113.db2.gz YLCGXBRPVCNEHU-HNNXBMFYSA-N 0 3 358.486 2.148 20 30 FEEDHN N#CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1 ZINC000414988865 559199342 /nfs/dbraw/zinc/19/93/42/559199342.db2.gz MLFDXQDWCRDNCN-LJQANCHMSA-N 0 3 362.433 2.432 20 30 FEEDHN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCCNCC3)cc2)cc1 ZINC000415317376 559223674 /nfs/dbraw/zinc/22/36/74/559223674.db2.gz KXSQBSUOBUDCIC-UHFFFAOYSA-N 0 3 364.405 2.111 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418812333 559417081 /nfs/dbraw/zinc/41/70/81/559417081.db2.gz BFUVPQXAKKFJJQ-OTWHNJEPSA-N 0 3 373.497 2.023 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000419241346 559433769 /nfs/dbraw/zinc/43/37/69/559433769.db2.gz BXIOLFAAILMMFB-TZMCWYRMSA-N 0 3 360.408 2.423 20 30 FEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Br)[C@H](C)CN1CCO ZINC000419346355 559438893 /nfs/dbraw/zinc/43/88/93/559438893.db2.gz VBPUCYGUXWZXPK-CHWSQXEVSA-N 0 3 352.276 2.208 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)c1ccc(F)c(F)c1 ZINC000419684467 559454052 /nfs/dbraw/zinc/45/40/52/559454052.db2.gz WJZHTDRFJRATCI-JLZZUVOBSA-N 0 3 365.424 2.284 20 30 FEEDHN N#Cc1cncc(NCCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000420579439 559492684 /nfs/dbraw/zinc/49/26/84/559492684.db2.gz AXBUKDFXISWYFN-UHFFFAOYSA-N 0 3 350.470 2.358 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000421543601 559544868 /nfs/dbraw/zinc/54/48/68/559544868.db2.gz FECLANZLIBRKJM-HKUYNNGSSA-N 0 3 357.498 2.281 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000424137792 559655945 /nfs/dbraw/zinc/65/59/45/559655945.db2.gz MEPFJFOYKQVCPK-OALUTQOASA-N 0 3 364.449 2.374 20 30 FEEDHN C=CCCn1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCN2CC)nn1 ZINC000424665172 559673037 /nfs/dbraw/zinc/67/30/37/559673037.db2.gz NFYBHAQLFHDQSG-SFHVURJKSA-N 0 3 368.485 2.376 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000424929600 559680298 /nfs/dbraw/zinc/68/02/98/559680298.db2.gz BWHODALWXZJTTI-ICSRJNTNSA-N 0 3 357.498 2.296 20 30 FEEDHN CC(C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)S(=O)(=O)C1CCOCC1 ZINC000425135795 559688288 /nfs/dbraw/zinc/68/82/88/559688288.db2.gz VYFHQZNYSDXLGT-UONOGXRCSA-N 0 3 364.467 2.060 20 30 FEEDHN C=CCn1cc(CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)nn1 ZINC000425444960 559702628 /nfs/dbraw/zinc/70/26/28/559702628.db2.gz CJNLXEQULAIQDY-INIZCTEOSA-N 0 3 368.485 2.489 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425504377 559706444 /nfs/dbraw/zinc/70/64/44/559706444.db2.gz WAUSCIAATJUHHX-YZGWKJHDSA-N 0 3 354.498 2.201 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000425696121 559715063 /nfs/dbraw/zinc/71/50/63/559715063.db2.gz ZUYCVOQGNSZZML-PXNSSMCTSA-N 0 3 373.497 2.034 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000425886983 559724104 /nfs/dbraw/zinc/72/41/04/559724104.db2.gz QXKKRNVASYVPGB-QAPCUYQASA-N 0 3 368.481 2.211 20 30 FEEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1O ZINC000426209187 559731502 /nfs/dbraw/zinc/73/15/02/559731502.db2.gz HPUORSPZRVQXGB-IAGOWNOFSA-N 0 3 368.399 2.408 20 30 FEEDHN C=CCC[C@@H](CC)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428382106 559774392 /nfs/dbraw/zinc/77/43/92/559774392.db2.gz OKJZZFKSXGJCQS-CQSZACIVSA-N 0 3 366.483 2.165 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000428908830 559785685 /nfs/dbraw/zinc/78/56/85/559785685.db2.gz VKSUWEWBOAYVDO-SJORKVTESA-N 0 3 364.534 2.384 20 30 FEEDHN C(#CCN1CCOC[C@@H](C2CCC2)C1)CN1CCOC[C@@H](C2CCC2)C1 ZINC000429028240 559789213 /nfs/dbraw/zinc/78/92/13/559789213.db2.gz MAUFHYXMWGEYMN-VXKWHMMOSA-N 0 3 360.542 2.487 20 30 FEEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429303592 559795233 /nfs/dbraw/zinc/79/52/33/559795233.db2.gz DKYCTQZEHIOLED-MRXNPFEDSA-N 0 3 373.416 2.145 20 30 FEEDHN C=CCN(C)CCN(CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000429699834 559804289 /nfs/dbraw/zinc/80/42/89/559804289.db2.gz GZDOXIRQXNPMIJ-UHFFFAOYSA-N 0 3 360.458 2.292 20 30 FEEDHN C=CCN(C)CCN(CC)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000429727202 559804570 /nfs/dbraw/zinc/80/45/70/559804570.db2.gz UTRDAZRQDIXNRL-UHFFFAOYSA-N 0 3 368.485 2.004 20 30 FEEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000429808368 559805963 /nfs/dbraw/zinc/80/59/63/559805963.db2.gz KOUDKPDXXOTUJA-UHFFFAOYSA-N 0 3 350.850 2.196 20 30 FEEDHN COC(=O)C1CCN(C(=O)CN[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433023892 559870108 /nfs/dbraw/zinc/87/01/08/559870108.db2.gz UHXYRFBINOIMKX-SFHVURJKSA-N 0 3 357.454 2.423 20 30 FEEDHN COc1ccc(C(=O)NCCNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433298540 559876205 /nfs/dbraw/zinc/87/62/05/559876205.db2.gz AAGWKCMCRFBYNK-SFHVURJKSA-N 0 3 365.433 2.314 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)O[C@H](COC)C1)C(C)C ZINC000439699984 559999108 /nfs/dbraw/zinc/99/91/08/559999108.db2.gz QVIVCHADKQWOFM-OKZBNKHCSA-N 0 3 353.507 2.130 20 30 FEEDHN C=CCN(C(=O)NC[C@H]1CCCN1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441326325 560028703 /nfs/dbraw/zinc/02/87/03/560028703.db2.gz FADDOBQEZXORQS-MAUKXSAKSA-N 0 3 369.473 2.015 20 30 FEEDHN C[C@@H](c1ccc(-c2ccc(C#N)cc2CO)cc1)N1CCN(CCO)CC1 ZINC000527587320 562296575 /nfs/dbraw/zinc/29/65/75/562296575.db2.gz JOCVDVKHEFSHJK-KRWDZBQOSA-N 0 3 365.477 2.388 20 30 FEEDHN C[C@H]1[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCCN1C ZINC000446629703 560148809 /nfs/dbraw/zinc/14/88/09/560148809.db2.gz VXXUCUGMCMINHH-IWCVFHTOSA-N 0 3 371.485 2.425 20 30 FEEDHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000447425330 560162209 /nfs/dbraw/zinc/16/22/09/560162209.db2.gz CIXYZHBMTLSQDO-UHFFFAOYSA-N 0 3 362.861 2.388 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448326048 560184802 /nfs/dbraw/zinc/18/48/02/560184802.db2.gz VWAXGDULSMWTCK-KRWDZBQOSA-N 0 3 372.469 2.132 20 30 FEEDHN COc1cc(CNc2ccc(C(=O)NCCN(C)C)cc2)ccc1C#N ZINC000527767050 562303177 /nfs/dbraw/zinc/30/31/77/562303177.db2.gz KGKDFQNCZQTVRQ-UHFFFAOYSA-N 0 3 352.438 2.470 20 30 FEEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000449803960 560240607 /nfs/dbraw/zinc/24/06/07/560240607.db2.gz LHAWNEDZTMAVMD-NSHDSACASA-N 0 3 364.243 2.052 20 30 FEEDHN Cn1c(C#N)ccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000450129545 560251453 /nfs/dbraw/zinc/25/14/53/560251453.db2.gz AJGSUNXNPHZISI-UHFFFAOYSA-N 0 3 352.438 2.353 20 30 FEEDHN CCc1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 ZINC000450220058 560254244 /nfs/dbraw/zinc/25/42/44/560254244.db2.gz ZUIXNYAIILCIFU-UHFFFAOYSA-N 0 3 356.451 2.027 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1N(C)C ZINC000450265960 560256460 /nfs/dbraw/zinc/25/64/60/560256460.db2.gz MMMHQYKBIALQJD-QWHCGFSZSA-N 0 3 368.300 2.438 20 30 FEEDHN CC1CCN(C[C@H](O)CNc2ncc(Br)cc2C#N)CC1 ZINC000450331809 560258921 /nfs/dbraw/zinc/25/89/21/560258921.db2.gz WEOUQHMEFNATTI-CQSZACIVSA-N 0 3 353.264 2.220 20 30 FEEDHN CC(=O)Nc1ccc(CN2CCC(Nc3nccc(C#N)n3)CC2)cc1 ZINC000450785011 560273278 /nfs/dbraw/zinc/27/32/78/560273278.db2.gz MHOHSWVFEXRTIJ-UHFFFAOYSA-N 0 3 350.426 2.383 20 30 FEEDHN CCCCO[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C ZINC000450964492 560280258 /nfs/dbraw/zinc/28/02/58/560280258.db2.gz CSTHIIKRYGAEMA-JKSUJKDBSA-N 0 3 365.499 2.300 20 30 FEEDHN N#CCc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000451044472 560284419 /nfs/dbraw/zinc/28/44/19/560284419.db2.gz PZNNEIUFMJTHQP-ZDUSSCGKSA-N 0 3 353.875 2.169 20 30 FEEDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451164693 560290741 /nfs/dbraw/zinc/29/07/41/560290741.db2.gz IBJWWYMEADEOIX-UHFFFAOYSA-N 0 3 355.891 2.368 20 30 FEEDHN N#CCC1(CS(=O)(=O)NC[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000451168357 560290942 /nfs/dbraw/zinc/29/09/42/560290942.db2.gz VRHNCSGAKRHGPV-GOSISDBHSA-N 0 3 361.511 2.164 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000451266467 560297210 /nfs/dbraw/zinc/29/72/10/560297210.db2.gz PAXDACUMRMDFCE-SFHVURJKSA-N 0 3 365.474 2.381 20 30 FEEDHN CO[C@H]1C[C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000451512399 560311204 /nfs/dbraw/zinc/31/12/04/560311204.db2.gz XLJQSONYMDTKTB-CVEARBPZSA-N 0 3 353.426 2.086 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000451675256 560321384 /nfs/dbraw/zinc/32/13/84/560321384.db2.gz BWVWVBLOSYHZQK-MSOLQXFVSA-N 0 3 363.889 2.312 20 30 FEEDHN COCCOC1(CNC(=O)C(C#N)CCc2ccccc2)CCOCC1 ZINC000452814326 560375159 /nfs/dbraw/zinc/37/51/59/560375159.db2.gz LCUNEIKJNGHSMP-GOSISDBHSA-N 0 3 360.454 2.087 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453448476 560386961 /nfs/dbraw/zinc/38/69/61/560386961.db2.gz CLUYYQUWHSYBFC-IRXDYDNUSA-N 0 3 365.522 2.497 20 30 FEEDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453640078 560392716 /nfs/dbraw/zinc/39/27/16/560392716.db2.gz GKLLJZQISXWWSF-GFCCVEGCSA-N 0 3 350.850 2.191 20 30 FEEDHN C=C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000453681380 560396323 /nfs/dbraw/zinc/39/63/23/560396323.db2.gz UTTTYUXRANGILA-GFCCVEGCSA-N 0 3 365.861 2.442 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1 ZINC000453767088 560402746 /nfs/dbraw/zinc/40/27/46/560402746.db2.gz SBWVONVZCVGKRV-OAHLLOKOSA-N 0 3 354.454 2.138 20 30 FEEDHN C=CCC[C@H](NC(=O)c1ccc(N2CCN(CC)CC2)cc1)C(=O)OCC ZINC000456620076 560526018 /nfs/dbraw/zinc/52/60/18/560526018.db2.gz CIQVYPGLXPBXHQ-IBGZPJMESA-N 0 3 373.497 2.456 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@H]1C ZINC000464420365 560841242 /nfs/dbraw/zinc/84/12/42/560841242.db2.gz PTEPWNAPEQHZRI-HIFRSBDPSA-N 0 3 351.472 2.060 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](C(=O)OC)C1)C(C)C ZINC000465551402 560867950 /nfs/dbraw/zinc/86/79/50/560867950.db2.gz WLXDGNDTESACNJ-DLBZAZTESA-N 0 3 351.491 2.280 20 30 FEEDHN CC(C#N)C(=O)N(CCCNC(=O)[C@H](C)C#N)CCCc1ccccc1 ZINC000468783252 560938532 /nfs/dbraw/zinc/93/85/32/560938532.db2.gz BEMDOULVNAYXMF-SJORKVTESA-N 0 3 354.454 2.273 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N(CCO)Cc2cccc(F)c2)cc1 ZINC000473234746 561045134 /nfs/dbraw/zinc/04/51/34/561045134.db2.gz FXNCEHKLJNFLKI-GOSISDBHSA-N 0 3 351.381 2.401 20 30 FEEDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000473267809 561046023 /nfs/dbraw/zinc/04/60/23/561046023.db2.gz FWEDEPBYTXZWAC-FQEVSTJZSA-N 0 3 371.437 2.163 20 30 FEEDHN CN(C)CC[C@](C)(O)CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000473276188 561046207 /nfs/dbraw/zinc/04/62/07/561046207.db2.gz SWPQATOXNSVOBJ-FQEVSTJZSA-N 0 3 371.437 2.163 20 30 FEEDHN CN(C)CCn1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1=O ZINC000476503391 561121047 /nfs/dbraw/zinc/12/10/47/561121047.db2.gz JLMFOQCMWKXMPV-KRWDZBQOSA-N 0 3 352.438 2.436 20 30 FEEDHN CN1CCN(C[C@H](O)COc2ccccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000528495055 562332390 /nfs/dbraw/zinc/33/23/90/562332390.db2.gz CGDBNWSTSCDEHQ-SFTDATJTSA-N 0 3 365.477 2.157 20 30 FEEDHN N#Cc1cnn(-c2ccc(C(=O)NC[C@@H]3CCN3C3CCCC3)cc2)c1N ZINC000530023525 562394663 /nfs/dbraw/zinc/39/46/63/562394663.db2.gz FWYAIPLQODDZPR-SFHVURJKSA-N 0 3 364.453 2.073 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000530231634 562403155 /nfs/dbraw/zinc/40/31/55/562403155.db2.gz SBXMUVGVXQMUTN-SJORKVTESA-N 0 3 373.403 2.445 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000530231632 562403157 /nfs/dbraw/zinc/40/31/57/562403157.db2.gz SBXMUVGVXQMUTN-IAGOWNOFSA-N 0 3 373.403 2.445 20 30 FEEDHN CC(C#N)C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000531252005 562439693 /nfs/dbraw/zinc/43/96/93/562439693.db2.gz NYKVXUQZVHVORB-CYBMUJFWSA-N 0 3 359.455 2.035 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000531283688 562440532 /nfs/dbraw/zinc/44/05/32/562440532.db2.gz KDVXVODOYICVAK-HUUCEWRRSA-N 0 3 374.510 2.335 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)C3CCN(C)CC3)cc2C1=O ZINC000540891154 562595801 /nfs/dbraw/zinc/59/58/01/562595801.db2.gz RUUCNURJIUQRFS-CQSZACIVSA-N 0 3 369.465 2.271 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636699239 567837625 /nfs/dbraw/zinc/83/76/25/567837625.db2.gz RNRLOMDLQHENPJ-SFHVURJKSA-N 0 3 371.481 2.001 20 30 FEEDHN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H](N)CCCC#N ZINC000602580640 567993627 /nfs/dbraw/zinc/99/36/27/567993627.db2.gz XZUICPGZSNAMBJ-DZGCQCFKSA-N 0 3 374.268 2.213 20 30 FEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000569592079 568408791 /nfs/dbraw/zinc/40/87/91/568408791.db2.gz RYCPOHRDUYCLRC-ZDUSSCGKSA-N 0 3 362.861 2.387 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570201422 568460965 /nfs/dbraw/zinc/46/09/65/568460965.db2.gz LIDMPTNZNIAVTP-UHFFFAOYSA-N 0 3 350.422 2.493 20 30 FEEDHN N#CC(C(=O)C[C@H]1CCCC(=O)N1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000808980123 674476898 /nfs/dbraw/zinc/47/68/98/674476898.db2.gz UJRGWSXVZCBNNF-MWLCHTKSSA-N 0 3 351.765 2.185 20 30 FEEDHN N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000822825949 606889965 /nfs/dbraw/zinc/88/99/65/606889965.db2.gz RDZHFESVDUSOHG-IBGZPJMESA-N 0 3 360.421 2.436 20 30 FEEDHN N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000822825949 606889966 /nfs/dbraw/zinc/88/99/66/606889966.db2.gz RDZHFESVDUSOHG-IBGZPJMESA-N 0 3 360.421 2.436 20 30 FEEDHN N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822825949 606889967 /nfs/dbraw/zinc/88/99/67/606889967.db2.gz RDZHFESVDUSOHG-IBGZPJMESA-N 0 3 360.421 2.436 20 30 FEEDHN N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822825949 606889968 /nfs/dbraw/zinc/88/99/68/606889968.db2.gz RDZHFESVDUSOHG-IBGZPJMESA-N 0 3 360.421 2.436 20 30 FEEDHN COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826176928 608492947 /nfs/dbraw/zinc/49/29/47/608492947.db2.gz KGUOTOIYGCUWEN-CYBMUJFWSA-N 0 3 364.409 2.477 20 30 FEEDHN COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826176928 608492948 /nfs/dbraw/zinc/49/29/48/608492948.db2.gz KGUOTOIYGCUWEN-CYBMUJFWSA-N 0 3 364.409 2.477 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(F)c1 ZINC000815904932 674983491 /nfs/dbraw/zinc/98/34/91/674983491.db2.gz UBMMBJZTUJDMMR-LBPRGKRZSA-N 0 3 356.781 2.110 20 30 FEEDHN C=C(Br)CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073096633 670499935 /nfs/dbraw/zinc/49/99/35/670499935.db2.gz ARRXSVOKGLUUEV-UHFFFAOYSA-N 0 3 352.276 2.224 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2cc(Cl)ccc2s1)S(C)(=O)=O ZINC000076607040 670552150 /nfs/dbraw/zinc/55/21/50/670552150.db2.gz IGTVANLGWSWHSX-SECBINFHSA-N 0 3 357.844 2.017 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000817533703 675143085 /nfs/dbraw/zinc/14/30/85/675143085.db2.gz SFPFICSNXYAIRK-INIZCTEOSA-N 0 3 351.491 2.446 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCc2c1cccc2Br ZINC000817785037 675177554 /nfs/dbraw/zinc/17/75/54/675177554.db2.gz ARSVTCBVNZLWOB-UHFFFAOYSA-N 0 3 350.260 2.476 20 30 FEEDHN N#CC(C(=O)CCCc1nc(-c2cccs2)no1)C(=O)N1CCCC1 ZINC000124860193 672002936 /nfs/dbraw/zinc/00/29/36/672002936.db2.gz BKMLNZDWCASION-GFCCVEGCSA-N 0 3 358.423 2.452 20 30 FEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)Sc2nncn2C)cc1 ZINC000128530935 672050160 /nfs/dbraw/zinc/05/01/60/672050160.db2.gz WBKGCRZVHMKHFV-BXUZGUMPSA-N 0 3 357.439 2.206 20 30 FEEDHN N#Cc1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c(OC(F)F)c1 ZINC000610613780 675984420 /nfs/dbraw/zinc/98/44/20/675984420.db2.gz MAEQDXZZSGGVKR-CVEARBPZSA-N 0 3 351.397 2.191 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Br)s1 ZINC000173957091 672356101 /nfs/dbraw/zinc/35/61/01/672356101.db2.gz QTXDWIHFDITVBY-DTWKUNHWSA-N 0 3 359.245 2.086 20 30 FEEDHN C[S@@](=O)c1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000591750278 672708150 /nfs/dbraw/zinc/70/81/50/672708150.db2.gz YKKYNOREBJCVLS-CRICUBBOSA-N 0 3 358.463 2.020 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)c1ccsc1 ZINC000591911879 672720550 /nfs/dbraw/zinc/72/05/50/672720550.db2.gz JJBRXGLCNFWWTF-DOTOQJQBSA-N 0 3 350.488 2.191 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000193379919 672722025 /nfs/dbraw/zinc/72/20/25/672722025.db2.gz BIBQUJSGSHYQLR-CYBMUJFWSA-N 0 3 364.471 2.295 20 30 FEEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193402024 672723024 /nfs/dbraw/zinc/72/30/24/672723024.db2.gz USLVUNFYMNOGIS-BXKDBHETSA-N 0 3 363.830 2.297 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000193420263 672723911 /nfs/dbraw/zinc/72/39/11/672723911.db2.gz CHKPUDOXGWHWTM-ONGXEEELSA-N 0 3 359.209 2.232 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000193420239 672724052 /nfs/dbraw/zinc/72/40/52/672724052.db2.gz CHKPUDOXGWHWTM-GXSJLCMTSA-N 0 3 359.209 2.232 20 30 FEEDHN CN1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccccc2C#N)C1 ZINC000592088085 672752361 /nfs/dbraw/zinc/75/23/61/672752361.db2.gz FNVQOFKZIWJFGC-MSOLQXFVSA-N 0 3 355.463 2.182 20 30 FEEDHN C[NH+](C)CCOc1ccccc1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593538421 672937131 /nfs/dbraw/zinc/93/71/31/672937131.db2.gz NSZZPMKHVUTRLX-UHFFFAOYSA-N 0 3 365.480 2.039 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594069545 673028317 /nfs/dbraw/zinc/02/83/17/673028317.db2.gz DLEJIOMAFHGRTG-QLFBSQMISA-N 0 3 360.483 2.221 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC000594327976 673058987 /nfs/dbraw/zinc/05/89/87/673058987.db2.gz YHNDYGZQASKGTG-JKSUJKDBSA-N 0 3 360.845 2.283 20 30 FEEDHN C[C@@H](Cn1cccn1)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000328639064 673064365 /nfs/dbraw/zinc/06/43/65/673064365.db2.gz BWYDLQAILBJVET-HNNXBMFYSA-N 0 3 351.520 2.137 20 30 FEEDHN CN(C(=O)[C@@H](N)CCCCC#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000594433920 673071258 /nfs/dbraw/zinc/07/12/58/673071258.db2.gz IWXSQVQTKSEZLQ-HOCLYGCPSA-N 0 3 362.861 2.315 20 30 FEEDHN C[C@@H]1CN(Cc2csc(NC(=O)[C@H](N)CCCCC#N)n2)C[C@H](C)O1 ZINC000594441363 673071902 /nfs/dbraw/zinc/07/19/02/673071902.db2.gz QYEZCTWDMKCXSL-VNHYZAJKSA-N 0 3 365.503 2.102 20 30 FEEDHN CCN(CC)C(=O)CCC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594447583 673073307 /nfs/dbraw/zinc/07/33/07/673073307.db2.gz ZKGABSWLBADBHM-QGZVFWFLSA-N 0 3 350.507 2.285 20 30 FEEDHN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CCN(C2CC2)C1 ZINC000329303843 673074813 /nfs/dbraw/zinc/07/48/13/673074813.db2.gz ODDRNIDGUROEFX-CYBMUJFWSA-N 0 3 365.861 2.394 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cccc(F)c1I ZINC000721657060 673083283 /nfs/dbraw/zinc/08/32/83/673083283.db2.gz CGEMKVFFXXYHKG-UHFFFAOYSA-N 0 3 374.197 2.115 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@H](c2ccsc2)N(CC)CC)C1=O ZINC000348494426 673115917 /nfs/dbraw/zinc/11/59/17/673115917.db2.gz DKWACMQLPQYRLE-HUUCEWRRSA-N 0 3 351.472 2.254 20 30 FEEDHN CCS(=O)(=O)N1CCC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000729068774 673221121 /nfs/dbraw/zinc/22/11/21/673221121.db2.gz FLEXLOQZIWNXCA-STQMWFEESA-N 0 3 361.423 2.066 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cc(F)ccc1OC(F)F ZINC000595397686 673242383 /nfs/dbraw/zinc/24/23/83/673242383.db2.gz XATZCHNATDHIIY-UHFFFAOYSA-N 0 3 353.348 2.669 20 30 FEEDHN CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@@H]1CC1(C)C ZINC000595910947 673337515 /nfs/dbraw/zinc/33/75/15/673337515.db2.gz UTJURRNTZBSBJD-JKSUJKDBSA-N 0 3 360.527 2.435 20 30 FEEDHN CCN(CC(=O)C(C#N)C(=O)NC1CCCCC1)C(=O)OC(C)(C)C ZINC000734705943 673470208 /nfs/dbraw/zinc/47/02/08/673470208.db2.gz WPOWFFPAYROEOU-AWEZNQCLSA-N 0 3 351.447 2.401 20 30 FEEDHN N#Cc1ccc2c(c1)N(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)CC2 ZINC000597445815 673478883 /nfs/dbraw/zinc/47/88/83/673478883.db2.gz YNOYRJAWUOBUNN-KGLIPLIRSA-N 0 3 354.328 2.431 20 30 FEEDHN CC1(C)CCC[C@](CO)(NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000599593945 673695078 /nfs/dbraw/zinc/69/50/78/673695078.db2.gz HTFPANCQIAGFGD-SFHVURJKSA-N 0 3 350.484 2.253 20 30 FEEDHN N#CC(C(=O)c1ccc(Br)cc1-n1cncn1)c1ccncn1 ZINC000544814989 673733978 /nfs/dbraw/zinc/73/39/78/673733978.db2.gz RDVRJMAVHPSZTF-GFCCVEGCSA-N 0 3 369.182 2.310 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)ccc1Cl ZINC000600064342 673737982 /nfs/dbraw/zinc/73/79/82/673737982.db2.gz RQDSNDRLUDHNLN-OAHLLOKOSA-N 0 3 360.845 2.283 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000600065278 673738264 /nfs/dbraw/zinc/73/82/64/673738264.db2.gz YZLPOGGCUAIISZ-CQSZACIVSA-N 0 3 360.845 2.283 20 30 FEEDHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000743980359 673777574 /nfs/dbraw/zinc/77/75/74/673777574.db2.gz LMLBMGDPFYZITK-CQSZACIVSA-N 0 3 360.483 2.231 20 30 FEEDHN CN1CCO[C@H]([C@@H](NC[C@@H](O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000600731619 673795188 /nfs/dbraw/zinc/79/51/88/673795188.db2.gz NJKHNSGXNPPGMB-BZSNNMDCSA-N 0 3 363.889 2.356 20 30 FEEDHN COc1cc(CN[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)ccc1C#N ZINC000601158553 673829638 /nfs/dbraw/zinc/82/96/38/673829638.db2.gz VMOIZMZIZABWKS-IAGOWNOFSA-N 0 3 363.483 2.049 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000601372446 673850500 /nfs/dbraw/zinc/85/05/00/673850500.db2.gz YFZNQERSFLMEOS-CZUORRHYSA-N 0 3 351.447 2.111 20 30 FEEDHN CSC1(CNS(=O)(=O)c2c(C)cc(F)cc2C#N)CCN(C)CC1 ZINC000601415444 673858804 /nfs/dbraw/zinc/85/88/04/673858804.db2.gz GOTKQWBRCLKEFJ-UHFFFAOYSA-N 0 3 371.503 2.112 20 30 FEEDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000601421060 673859799 /nfs/dbraw/zinc/85/97/99/673859799.db2.gz HYWRIRFPISHWSI-IINYFYTJSA-N 0 3 372.288 2.034 20 30 FEEDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000601422769 673860054 /nfs/dbraw/zinc/86/00/54/673860054.db2.gz YNHWRLQVGRTGJK-GXFFZTMASA-N 0 3 372.288 2.034 20 30 FEEDHN C=CCN1CC[C@H](N(C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000839591515 680764366 /nfs/dbraw/zinc/76/43/66/680764366.db2.gz JPMVTPKCPIFABZ-CVEARBPZSA-N 0 3 351.491 2.352 20 30 FEEDHN Cc1nn(CC(F)(F)F)cc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000763479673 680784077 /nfs/dbraw/zinc/78/40/77/680784077.db2.gz RPQHNSCEFRULGH-SNVBAGLBSA-N 0 3 351.288 2.110 20 30 FEEDHN CC(=O)N1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H](C)C1 ZINC000763634904 680788285 /nfs/dbraw/zinc/78/82/85/680788285.db2.gz JCKPNDOKDLPZJJ-GXTWGEPZSA-N 0 3 356.451 2.025 20 30 FEEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@@](=O)C1 ZINC000763878246 680794222 /nfs/dbraw/zinc/79/42/22/680794222.db2.gz NGLXWDSKCFBHMI-IPKGXFCISA-N 0 3 361.492 2.173 20 30 FEEDHN C#CCNC(=O)C1CCN(Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000747968383 679917129 /nfs/dbraw/zinc/91/71/29/679917129.db2.gz BDSYJBGMVGADKB-UHFFFAOYSA-N 0 3 352.381 2.258 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000748001953 679919813 /nfs/dbraw/zinc/91/98/13/679919813.db2.gz UKXILNVYKYNMKL-SJCJKPOMSA-N 0 3 352.837 2.362 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cnc(C)s3)C[C@H]21 ZINC000978171403 680170719 /nfs/dbraw/zinc/17/07/19/680170719.db2.gz ZELWEJNZTRNGHT-DZVNLGKHSA-N 0 3 361.511 2.227 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(CCC[C@@H]2CCOC2)CC1 ZINC000982173681 680272574 /nfs/dbraw/zinc/27/25/74/680272574.db2.gz PBIVWCBIVAPPOT-QYZOEREBSA-N 0 3 350.503 2.319 20 30 FEEDHN Cc1cc(F)c(CC(=O)C(C#N)C(=O)NCCCOC(C)C)cc1F ZINC000835057117 680291699 /nfs/dbraw/zinc/29/16/99/680291699.db2.gz LYBFHXCBLFQJSN-CQSZACIVSA-N 0 3 352.381 2.456 20 30 FEEDHN CO[C@@H]1COCC[C@H]1CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000835060896 680292164 /nfs/dbraw/zinc/29/21/64/680292164.db2.gz OTDZTRNIKANYBS-SGIREYDYSA-N 0 3 350.802 2.429 20 30 FEEDHN CO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000835060888 680292262 /nfs/dbraw/zinc/29/22/62/680292262.db2.gz OTDZTRNIKANYBS-DIOULYMOSA-N 0 3 350.802 2.429 20 30 FEEDHN N#Cc1cc(Cl)c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c(Cl)c1 ZINC000754412288 680354631 /nfs/dbraw/zinc/35/46/31/680354631.db2.gz MGEXWLZYRKJXIP-RYUDHWBXSA-N 0 3 354.237 2.458 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cnc(Cl)s1 ZINC001035053613 680442620 /nfs/dbraw/zinc/44/26/20/680442620.db2.gz DIAVTLDFDYUGIN-BNOWGMLFSA-N 0 3 355.891 2.468 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC000836319928 680450582 /nfs/dbraw/zinc/45/05/82/680450582.db2.gz WJABTDQSGRVINR-CQSZACIVSA-N 0 3 354.495 2.239 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000836394725 680463151 /nfs/dbraw/zinc/46/31/51/680463151.db2.gz RLSQSXACIHXNRE-UHFFFAOYSA-N 0 3 352.822 2.045 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCc2cccc(Br)c2C1 ZINC000836488877 680476114 /nfs/dbraw/zinc/47/61/14/680476114.db2.gz QMAUTZNAFJCJRV-UHFFFAOYSA-N 0 3 364.287 2.472 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](COC)c1ccc(Cl)cc1 ZINC000836491396 680476990 /nfs/dbraw/zinc/47/69/90/680476990.db2.gz QREZUCKIGOIFAM-INIZCTEOSA-N 0 3 351.878 2.324 20 30 FEEDHN COc1cc(C#N)ccc1COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000766881694 680891376 /nfs/dbraw/zinc/89/13/76/680891376.db2.gz ASAVIRZUQNFOFJ-YPMHNXCESA-N 0 3 356.300 2.067 20 30 FEEDHN C[C@@H](C(=O)N(C)CC(=O)C(C#N)c1nc(C2CC2)cs1)n1cccn1 ZINC000842942759 680976428 /nfs/dbraw/zinc/97/64/28/680976428.db2.gz MECZPGFPYOFPKD-AAEUAGOBSA-N 0 3 357.439 2.113 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1c(F)ccc(Br)c1OC ZINC000843896765 681024447 /nfs/dbraw/zinc/02/44/47/681024447.db2.gz KPFAEEXUUKBAOL-UHFFFAOYSA-N 0 3 357.223 2.282 20 30 FEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1 ZINC000946684261 681252673 /nfs/dbraw/zinc/25/26/73/681252673.db2.gz BRYVQASVSXGZPJ-QSAAJNHFSA-N 0 3 350.890 2.333 20 30 FEEDHN C#CCNC(=O)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000775663130 681322498 /nfs/dbraw/zinc/32/24/98/681322498.db2.gz KLHRWCAVLVVBNZ-UHFFFAOYSA-N 0 3 365.271 2.425 20 30 FEEDHN C#CCNC(=O)C1CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000775663130 681322502 /nfs/dbraw/zinc/32/25/02/681322502.db2.gz KLHRWCAVLVVBNZ-UHFFFAOYSA-N 0 3 365.271 2.425 20 30 FEEDHN C#CCN1CCN(C(=O)CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)CC1 ZINC000776026563 681357077 /nfs/dbraw/zinc/35/70/77/681357077.db2.gz OQJWFPRRUWGZOA-QKYXUNIQSA-N 0 3 359.901 2.404 20 30 FEEDHN N#Cc1ccc(CCN2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 ZINC000933087354 681361222 /nfs/dbraw/zinc/36/12/22/681361222.db2.gz AOBJYQNAZFNWAZ-UHFFFAOYSA-N 0 3 361.511 2.381 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC000847491022 681385647 /nfs/dbraw/zinc/38/56/47/681385647.db2.gz FXNJKEWZELIUOP-GJZGRUSLSA-N 0 3 352.479 2.174 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933449869 681415205 /nfs/dbraw/zinc/41/52/05/681415205.db2.gz RIKFJXBFQHHAOY-MSOLQXFVSA-N 0 3 351.878 2.278 20 30 FEEDHN C[C@H](N[C@@H]1CCOC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000934402815 681565639 /nfs/dbraw/zinc/56/56/39/681565639.db2.gz CRCZUHQBWQPQMY-BLLLJJGKSA-N 0 3 363.845 2.466 20 30 FEEDHN C#CCOCCN(CCC(=O)OC)Cc1cccc(Br)c1 ZINC000851979074 682196395 /nfs/dbraw/zinc/19/63/95/682196395.db2.gz UDYZLAHHPHUVLO-UHFFFAOYSA-N 0 3 354.244 2.464 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000916947025 685528643 /nfs/dbraw/zinc/52/86/43/685528643.db2.gz RQIYREOTCVKEDQ-QMTHXVAHSA-N 0 3 365.842 2.376 20 30 FEEDHN COc1ccc(CSCC(=O)C(C#N)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000916952774 685528672 /nfs/dbraw/zinc/52/86/72/685528672.db2.gz ZBAPYZODVCQLTM-GFCCVEGCSA-N 0 3 365.411 2.070 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)CC1 ZINC000917097654 685529613 /nfs/dbraw/zinc/52/96/13/685529613.db2.gz DXJXJDYVUBFNHP-MRXNPFEDSA-N 0 3 350.507 2.116 20 30 FEEDHN COC(=O)[C@H]1C[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000852696975 682322125 /nfs/dbraw/zinc/32/21/25/682322125.db2.gz VRKDDLVUCRJXDI-FRRDWIJNSA-N 0 3 357.435 2.356 20 30 FEEDHN CN(CCCC(=O)N1CCC(NCCC#N)CC1)C(=O)OC(C)(C)C ZINC000853125768 682379452 /nfs/dbraw/zinc/37/94/52/682379452.db2.gz CNDVLBBBZVCBHY-UHFFFAOYSA-N 0 3 352.479 2.128 20 30 FEEDHN N#CC(C(=O)CSc1ccncc1)C(=O)NCc1ccc(F)cc1F ZINC000786559245 682385525 /nfs/dbraw/zinc/38/55/25/682385525.db2.gz GRQHJLJYZBRLDV-AWEZNQCLSA-N 0 3 361.373 2.477 20 30 FEEDHN N#CC(C(=O)CSc1ccncc1)C(=O)NCc1ccc(F)cc1F ZINC000786559249 682385539 /nfs/dbraw/zinc/38/55/39/682385539.db2.gz GRQHJLJYZBRLDV-CQSZACIVSA-N 0 3 361.373 2.477 20 30 FEEDHN N#CC(C(=O)CSc1ccncc1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786570164 682385838 /nfs/dbraw/zinc/38/58/38/682385838.db2.gz IERILGZLXSSFCW-CYBMUJFWSA-N 0 3 361.373 2.477 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796514428 683167344 /nfs/dbraw/zinc/16/73/44/683167344.db2.gz LDUQAKMMPWMBLW-CZUORRHYSA-N 0 3 357.376 2.330 20 30 FEEDHN C=CCN1CC[C@H](N(C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956993 683407901 /nfs/dbraw/zinc/40/79/01/683407901.db2.gz TXCXHWYLFOSWIP-HNAYVOBHSA-N 0 3 351.491 2.352 20 30 FEEDHN C#CCN(C(=O)NCCc1ccc(F)c(F)c1F)C1CCN(C)CC1 ZINC000921915177 683612173 /nfs/dbraw/zinc/61/21/73/683612173.db2.gz KCQKKXWHSCNPTB-UHFFFAOYSA-N 0 3 353.388 2.385 20 30 FEEDHN C=C(C)[C@H](CO)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC000931002355 683816568 /nfs/dbraw/zinc/81/65/68/683816568.db2.gz DHESWLKOROVUAD-HNNXBMFYSA-N 0 3 357.376 2.378 20 30 FEEDHN CC1(C)CCNCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000866803701 684156396 /nfs/dbraw/zinc/15/63/96/684156396.db2.gz YSEPSLHUGNDGFY-UHFFFAOYSA-N 0 3 372.288 2.083 20 30 FEEDHN N#CC(C(=O)Cn1nc(C(F)F)cc1C1CC1)C(=O)NC1CCCC1 ZINC000873497942 685143637 /nfs/dbraw/zinc/14/36/37/685143637.db2.gz MXLRRFREEOFWRL-GFCCVEGCSA-N 0 3 350.369 2.466 20 30 FEEDHN COCCN(C)CCNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000875216059 685756811 /nfs/dbraw/zinc/75/68/11/685756811.db2.gz OTQFQHSGTKAWAR-AWEZNQCLSA-N 0 3 358.364 2.039 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000876549847 686217674 /nfs/dbraw/zinc/21/76/74/686217674.db2.gz WTNYZPMLFSMOON-CQSZACIVSA-N 0 3 373.906 2.434 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000876581364 686223919 /nfs/dbraw/zinc/22/39/19/686223919.db2.gz HMJRBURKKWXDTI-OAHLLOKOSA-N 0 3 353.825 2.016 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000876592520 686225744 /nfs/dbraw/zinc/22/57/44/686225744.db2.gz SVPGIUIVBBNSOJ-CABCVRRESA-N 0 3 367.877 2.191 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1nnc(SC)n1CC(C)C ZINC000876602988 686226558 /nfs/dbraw/zinc/22/65/58/686226558.db2.gz IQMYKIJFXYBYMO-GFCCVEGCSA-N 0 3 359.927 2.175 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000876633024 686233251 /nfs/dbraw/zinc/23/32/51/686233251.db2.gz QERBQDCOQFGJET-HNNXBMFYSA-N 0 3 367.902 2.213 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC ZINC000876697118 686245835 /nfs/dbraw/zinc/24/58/35/686245835.db2.gz QHHMEXKXOKQGSQ-LLVKDONJSA-N 0 3 360.241 2.263 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCc1ccc(Br)s1)C2 ZINC000884064464 687782391 /nfs/dbraw/zinc/78/23/91/687782391.db2.gz IYCBFPAIJIAFHX-VTWZXRTESA-N 0 3 368.300 2.309 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCO[C@@H](c3ccccc3Cl)C1)C2 ZINC000884124940 687795333 /nfs/dbraw/zinc/79/53/33/687795333.db2.gz LQXAFODLCFSXNE-BOLVRDICSA-N 0 3 359.857 2.379 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)C2 ZINC000884144989 687799498 /nfs/dbraw/zinc/79/94/98/687799498.db2.gz ZLNRWUNMDKORPZ-XLFQCTOWSA-N 0 3 368.264 2.282 20 30 FEEDHN Cc1cc(Br)cc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1N ZINC000884250799 687829506 /nfs/dbraw/zinc/82/95/06/687829506.db2.gz OMSJRLMJXIYGDM-CSJGVYOVSA-N 0 3 363.259 2.418 20 30 FEEDHN C#CCN(C(=O)COc1ccc(Br)cc1)C1CCN(C)CC1 ZINC000886589239 688280378 /nfs/dbraw/zinc/28/03/78/688280378.db2.gz OEMHIQOOULQSFP-UHFFFAOYSA-N 0 3 365.271 2.384 20 30 FEEDHN C#CCC1(NCC(=O)Nc2sc(C)c(C)c2C(=O)OC)CCOCC1 ZINC000887123271 688369685 /nfs/dbraw/zinc/36/96/85/688369685.db2.gz HSKKBMWTYSLWOB-UHFFFAOYSA-N 0 3 364.467 2.252 20 30 FEEDHN C#CCC1(NCC(=O)Nc2cc(OC)c(Cl)cc2OC)CCOCC1 ZINC000887123440 688369731 /nfs/dbraw/zinc/36/97/31/688369731.db2.gz PEELWLYDBUORSM-UHFFFAOYSA-N 0 3 366.845 2.458 20 30 FEEDHN C#CCC1(NCC(=O)Nc2ccnn2Cc2cccs2)CCOCC1 ZINC000887125598 688370242 /nfs/dbraw/zinc/37/02/42/688370242.db2.gz CEUAOMKLXOOYCI-UHFFFAOYSA-N 0 3 358.467 2.094 20 30 FEEDHN C=CCOc1ccc(CN2CCC3(CC2)C[C@H](O)CNC3=O)cc1Cl ZINC000897040416 689966634 /nfs/dbraw/zinc/96/66/34/689966634.db2.gz HZKRTGUEVGKZCG-HNNXBMFYSA-N 0 3 364.873 2.368 20 30 FEEDHN C[C@]1(C#N)CN(C(=S)NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000899636083 690394602 /nfs/dbraw/zinc/39/46/02/690394602.db2.gz WZRHRSYKMAQLHW-IBGZPJMESA-N 0 3 358.511 2.140 20 30 FEEDHN C=C(CNC[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1 ZINC000905262136 691091135 /nfs/dbraw/zinc/09/11/35/691091135.db2.gz OGYYINYJDDZYOJ-QGZVFWFLSA-N 0 3 366.527 2.291 20 30 FEEDHN CN(CCC#N)C[C@H](O)CNCc1cc2cc(Br)ccc2o1 ZINC000905419564 691116463 /nfs/dbraw/zinc/11/64/63/691116463.db2.gz OEBZBFSIIKWTQT-CQSZACIVSA-N 0 3 366.259 2.491 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)C[C@]2(C)C1 ZINC000907557981 691518948 /nfs/dbraw/zinc/51/89/48/691518948.db2.gz QZBJYLIFVXBTOP-PXAZEXFGSA-N 0 3 361.492 2.345 20 30 FEEDHN Cc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1C#N ZINC001164912381 721548647 /nfs/dbraw/zinc/54/86/47/721548647.db2.gz ZJXHWTNLUGLBPD-RDJZCZTQSA-N 0 3 353.401 2.138 20 30 FEEDHN CC(C)N1CC[C@@H](NCC(=O)NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549344663 674035180 /nfs/dbraw/zinc/03/51/80/674035180.db2.gz VADSHRILCDFUQZ-NVXWUHKLSA-N 0 3 352.841 2.232 20 30 FEEDHN CC(C)N1CC[C@@H](NCC(=O)NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549344665 674035298 /nfs/dbraw/zinc/03/52/98/674035298.db2.gz VADSHRILCDFUQZ-WBVHZDCISA-N 0 3 352.841 2.232 20 30 FEEDHN CNC(=O)c1ccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000029931537 539869073 /nfs/dbraw/zinc/86/90/73/539869073.db2.gz XVMXNXPINQJIRX-UHFFFAOYSA-N 0 3 350.422 2.378 20 30 FEEDHN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000047460186 540312524 /nfs/dbraw/zinc/31/25/24/540312524.db2.gz BTPUMXDPTCOWEO-UHFFFAOYSA-N 0 3 373.478 2.465 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(C(=O)N2CCCC2)CC1 ZINC000054429576 540590517 /nfs/dbraw/zinc/59/05/17/540590517.db2.gz KFGBOODLFFZATI-UHFFFAOYSA-N 0 3 354.454 2.221 20 30 FEEDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076300397 542257707 /nfs/dbraw/zinc/25/77/07/542257707.db2.gz QFVFMXBZCAFHQT-NSHDSACASA-N 0 3 370.375 2.362 20 30 FEEDHN Cc1[nH]nc2ncc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc12 ZINC000056016067 540694323 /nfs/dbraw/zinc/69/43/23/540694323.db2.gz DZJLMYGIXCZPIK-UHFFFAOYSA-N 0 3 362.437 2.342 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCNC(=O)C(C)(C)C ZINC000065930753 541272226 /nfs/dbraw/zinc/27/22/26/541272226.db2.gz IEQIEVQOOYNZNK-UHFFFAOYSA-N 0 3 372.513 2.391 20 30 FEEDHN N#CCCN(C(=O)CCC(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000066638899 541352178 /nfs/dbraw/zinc/35/21/78/541352178.db2.gz JYCARHVTPMYXHF-GOSISDBHSA-N 0 3 368.481 2.314 20 30 FEEDHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000067202761 541432501 /nfs/dbraw/zinc/43/25/01/541432501.db2.gz MJJXOLQTZYOVEB-HNNXBMFYSA-N 0 3 374.485 2.362 20 30 FEEDHN C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)CC1 ZINC000067710000 541503564 /nfs/dbraw/zinc/50/35/64/541503564.db2.gz YVCXKVHNMDCDDT-UHFFFAOYSA-N 0 3 364.449 2.283 20 30 FEEDHN N#CCSCCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000072514820 541824609 /nfs/dbraw/zinc/82/46/09/541824609.db2.gz JTVAIGJOXAVRLP-UHFFFAOYSA-N 0 3 371.503 2.215 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)CCCC(=O)Nc1c(C)cccc1C ZINC000078256383 542450945 /nfs/dbraw/zinc/45/09/45/542450945.db2.gz VIJDMJBINHSOJH-HNNXBMFYSA-N 0 3 366.483 2.128 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000091771163 542825102 /nfs/dbraw/zinc/82/51/02/542825102.db2.gz NVNNTUVKNKMKTK-MJGOQNOKSA-N 0 3 373.884 2.073 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092217300 542849072 /nfs/dbraw/zinc/84/90/72/542849072.db2.gz NOBXMGIEENOMRX-CGZBRXJRSA-N 0 3 357.458 2.037 20 30 FEEDHN COCCN(CCN(C)C)C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000104555722 543133994 /nfs/dbraw/zinc/13/39/94/543133994.db2.gz QITQXIXFXBHSGW-UHFFFAOYSA-N 0 3 364.515 2.007 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(N2CCCC2=O)CC1 ZINC000104968003 543152929 /nfs/dbraw/zinc/15/29/29/543152929.db2.gz RHDKOMITUMKUCJ-LJQANCHMSA-N 0 3 358.482 2.242 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCn2cnc3sccc3c2=O)CC1 ZINC000106037349 543186075 /nfs/dbraw/zinc/18/60/75/543186075.db2.gz AILZMWBVFFOPSH-UHFFFAOYSA-N 0 3 360.483 2.005 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110866699 543371337 /nfs/dbraw/zinc/37/13/37/543371337.db2.gz QEQUGNHSUNWSME-FQEVSTJZSA-N 0 3 372.513 2.058 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000111489024 543403583 /nfs/dbraw/zinc/40/35/83/543403583.db2.gz XOARIXORTNNJCV-SFHVURJKSA-N 0 3 370.501 2.096 20 30 FEEDHN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(CCN(C)C)c2)cc1 ZINC000117460635 543632773 /nfs/dbraw/zinc/63/27/73/543632773.db2.gz RHSLMRNIOWCXMA-UHFFFAOYSA-N 0 3 371.445 2.396 20 30 FEEDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000122985532 543735942 /nfs/dbraw/zinc/73/59/42/543735942.db2.gz PBRHPLSUSVVISJ-HUUCEWRRSA-N 0 3 353.875 2.459 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ncc(C)s1)C(C)C ZINC000123360215 543756806 /nfs/dbraw/zinc/75/68/06/543756806.db2.gz YLAVSXIQMWPGSU-CQSZACIVSA-N 0 3 350.488 2.205 20 30 FEEDHN N#Cc1ccc2ncc(CNCc3cccc(CN4CCOCC4)c3)n2c1 ZINC000123355533 543757118 /nfs/dbraw/zinc/75/71/18/543757118.db2.gz QYOHHBRHGWGWQH-UHFFFAOYSA-N 0 3 361.449 2.328 20 30 FEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000133920005 544287788 /nfs/dbraw/zinc/28/77/88/544287788.db2.gz PUPZNEPVBKLYOC-OAHLLOKOSA-N 0 3 356.470 2.226 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(C)C ZINC000133047324 544254080 /nfs/dbraw/zinc/25/40/80/544254080.db2.gz FOTFZSLAOLALMU-GOSISDBHSA-N 0 3 356.470 2.295 20 30 FEEDHN CC[C@H](C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)N(C)C ZINC000151094087 544503721 /nfs/dbraw/zinc/50/37/21/544503721.db2.gz SZSIFBDQVHZPLF-GOSISDBHSA-N 0 3 368.485 2.024 20 30 FEEDHN C[C@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)CN1Cc1ccccc1 ZINC000152001497 544605299 /nfs/dbraw/zinc/60/52/99/544605299.db2.gz PJPRNBVXXODUSS-DOTOQJQBSA-N 0 3 370.478 2.142 20 30 FEEDHN C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153267783 544753677 /nfs/dbraw/zinc/75/36/77/544753677.db2.gz WNQRDVAWHWAXRU-KBPBESRZSA-N 0 3 366.469 2.094 20 30 FEEDHN Cc1ccn(C)c(=O)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000155138977 544994962 /nfs/dbraw/zinc/99/49/62/544994962.db2.gz VBPZCZIDRAMGPS-UHFFFAOYSA-N 0 3 367.453 2.161 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000187678904 328039385 /nfs/dbraw/zinc/03/93/85/328039385.db2.gz NXOYRQOVKIHPEC-KRWDZBQOSA-N 0 3 354.498 2.495 20 30 FEEDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1CC(C)(C)O ZINC000189907124 328175166 /nfs/dbraw/zinc/17/51/66/328175166.db2.gz FQORUBUQLSXFCH-INIZCTEOSA-N 0 3 367.497 2.236 20 30 FEEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000190787067 328232616 /nfs/dbraw/zinc/23/26/16/328232616.db2.gz BJOOHPRWCMEGDX-AWEZNQCLSA-N 0 3 352.438 2.405 20 30 FEEDHN N#Cc1cccc(CS(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192980767 328350442 /nfs/dbraw/zinc/35/04/42/328350442.db2.gz IVJUZYSHMZPGRS-HXUWFJFHSA-N 0 3 369.490 2.500 20 30 FEEDHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077539857 324995045 /nfs/dbraw/zinc/99/50/45/324995045.db2.gz QKEZVMSYPYXZMI-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN COC(=O)[C@H](C)[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000079923239 325110672 /nfs/dbraw/zinc/11/06/72/325110672.db2.gz XQAQYLZROCISLW-BPAFIMBUSA-N 0 3 368.433 2.438 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1C#N ZINC000119441450 326162735 /nfs/dbraw/zinc/16/27/35/326162735.db2.gz LFGVRBJVFQDEAE-PBHICJAKSA-N 0 3 372.469 2.083 20 30 FEEDHN CCCCN1CCC(NS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000120810040 326289986 /nfs/dbraw/zinc/28/99/86/326289986.db2.gz CBGDQOZULKPCMJ-UHFFFAOYSA-N 0 3 353.463 2.381 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000121377094 326333595 /nfs/dbraw/zinc/33/35/95/326333595.db2.gz ILGJIYLCFIXKDX-MRXNPFEDSA-N 0 3 372.860 2.187 20 30 FEEDHN COCCCN(C)CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000173586878 327269141 /nfs/dbraw/zinc/26/91/41/327269141.db2.gz CCVKKICJOUMSKB-UHFFFAOYSA-N 0 3 374.485 2.079 20 30 FEEDHN COc1ccccc1CC(=O)N1CCC(NCc2ccc(C#N)o2)CC1 ZINC000174326242 327319812 /nfs/dbraw/zinc/31/98/12/327319812.db2.gz HJYKXVNYBNWRLV-UHFFFAOYSA-N 0 3 353.422 2.483 20 30 FEEDHN N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000264354061 329013629 /nfs/dbraw/zinc/01/36/29/329013629.db2.gz ZZCPOIVRHUAFOR-UHFFFAOYSA-N 0 3 367.409 2.430 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264599684 329039487 /nfs/dbraw/zinc/03/94/87/329039487.db2.gz XMIUNJYQWDYODU-INIZCTEOSA-N 0 3 356.470 2.295 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1N(C)C ZINC000270659673 329619582 /nfs/dbraw/zinc/61/95/82/329619582.db2.gz OJQXQXVMESMHTE-NILFDRSVSA-N 0 3 350.488 2.073 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CCN(C)[C@@H](C)C3)CC2)o1 ZINC000276415348 330149741 /nfs/dbraw/zinc/14/97/41/330149741.db2.gz JBHRHMMEJDIWDQ-XJKSGUPXSA-N 0 3 359.474 2.012 20 30 FEEDHN COc1cc(CNCC[C@@](O)(c2nccn2C)C(F)(F)F)ccc1C#N ZINC000281828558 330177759 /nfs/dbraw/zinc/17/77/59/330177759.db2.gz XPAIMSJRQHPIFB-MRXNPFEDSA-N 0 3 368.359 2.230 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367184296 330227341 /nfs/dbraw/zinc/22/73/41/330227341.db2.gz JLYGPHPQDDSXIB-LPHOPBHVSA-N 0 3 355.486 2.356 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000367186829 330227454 /nfs/dbraw/zinc/22/74/54/330227454.db2.gz PXLWMFNXMTUHGP-KDOFPFPSSA-N 0 3 359.449 2.187 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371456146 330243908 /nfs/dbraw/zinc/24/39/08/330243908.db2.gz FSMFZMWSQUKCNF-ZWKOTPCHSA-N 0 3 370.453 2.267 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000156711814 545650546 /nfs/dbraw/zinc/65/05/46/545650546.db2.gz PJCFKJAZSHFHMA-ZDUSSCGKSA-N 0 3 353.463 2.486 20 30 FEEDHN CC1CCN(CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000478179160 561161489 /nfs/dbraw/zinc/16/14/89/561161489.db2.gz QAJLSLCIDAWGFY-UHFFFAOYSA-N 0 3 353.463 2.239 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000478478216 561167985 /nfs/dbraw/zinc/16/79/85/561167985.db2.gz DNEJIHOWDKPBHE-OAHLLOKOSA-N 0 3 366.421 2.078 20 30 FEEDHN CC(C)(CNS(=O)(=O)Cc1cc(C#N)ccc1F)N1CCCCC1 ZINC000160535391 546049844 /nfs/dbraw/zinc/04/98/44/546049844.db2.gz WJRTXERJRUHBSQ-UHFFFAOYSA-N 0 3 353.463 2.381 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)CC1(C#N)CC1 ZINC000166038944 546154382 /nfs/dbraw/zinc/15/43/82/546154382.db2.gz IYKHRSCMNBZQKQ-BYICEURKSA-N 0 3 361.511 2.366 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CNC1(c2ccc(F)cc2)CCOCC1 ZINC000170971350 546184113 /nfs/dbraw/zinc/18/41/13/546184113.db2.gz SWDACGGRPYCOOP-UHFFFAOYSA-N 0 3 358.417 2.077 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)CC1 ZINC000171725908 546222267 /nfs/dbraw/zinc/22/22/67/546222267.db2.gz ILRDXEANOLYTIM-SFHVURJKSA-N 0 3 361.461 2.347 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)NCCCCC#N)cc2)CC1 ZINC000171739820 546223205 /nfs/dbraw/zinc/22/32/05/546223205.db2.gz ZTHVUNUWTQQWBT-UHFFFAOYSA-N 0 3 357.502 2.317 20 30 FEEDHN C#CCN1CCC(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000175027884 546305702 /nfs/dbraw/zinc/30/57/02/546305702.db2.gz UBBWGZXWTZAORT-UHFFFAOYSA-N 0 3 353.510 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(C)cc2OCCOC)CC1 ZINC000176453476 546449260 /nfs/dbraw/zinc/44/92/60/546449260.db2.gz GTLGVNOAIWSLPO-UHFFFAOYSA-N 0 3 361.486 2.470 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1C(F)(F)F ZINC000177628866 546656204 /nfs/dbraw/zinc/65/62/04/546656204.db2.gz XVLAFCLERAADMZ-NSHDSACASA-N 0 3 373.400 2.340 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@H](O)C2)cc1 ZINC000481020984 561223213 /nfs/dbraw/zinc/22/32/13/561223213.db2.gz VLEWLFZIRABZIU-NFAWXSAZSA-N 0 3 365.455 2.045 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1 ZINC000481039603 561223606 /nfs/dbraw/zinc/22/36/06/561223606.db2.gz SVWRQYDMJRTTPF-APHBMKBZSA-N 0 3 365.455 2.140 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)O/N=C/c1ccc(N2CCOCC2)cc1 ZINC000178123707 546742961 /nfs/dbraw/zinc/74/29/61/546742961.db2.gz MKUSABUQZRGUCX-GFXBCDTMSA-N 0 3 357.454 2.463 20 30 FEEDHN C=CC[C@@H](CO)CN[C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481678195 561238504 /nfs/dbraw/zinc/23/85/04/561238504.db2.gz PHERRGJVFIZVTQ-DOMZBBRYSA-N 0 3 360.907 2.473 20 30 FEEDHN CCN1CCN(CCCCNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180394047 547099406 /nfs/dbraw/zinc/09/94/06/547099406.db2.gz FPKZKTAAEMUXBX-UHFFFAOYSA-N 0 3 354.498 2.389 20 30 FEEDHN CN1CCN([C@H]2CCCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000180478105 547114969 /nfs/dbraw/zinc/11/49/69/547114969.db2.gz VBHBXPMSENJDQI-FQEVSTJZSA-N 0 3 366.509 2.484 20 30 FEEDHN CN1CCN([C@@H]2CCCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000180478088 547115378 /nfs/dbraw/zinc/11/53/78/547115378.db2.gz VBHBXPMSENJDQI-HXUWFJFHSA-N 0 3 366.509 2.484 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000180674630 547156598 /nfs/dbraw/zinc/15/65/98/547156598.db2.gz FLNXHDWQGITLFF-UHFFFAOYSA-N 0 3 370.497 2.192 20 30 FEEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182043237 547427535 /nfs/dbraw/zinc/42/75/35/547427535.db2.gz GCYGEUOGVWZWFZ-HNAYVOBHSA-N 0 3 363.421 2.229 20 30 FEEDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484650563 561302398 /nfs/dbraw/zinc/30/23/98/561302398.db2.gz MSIZHZYWDLQJOA-FHLIZLRMSA-N 0 3 363.433 2.244 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 ZINC000184286120 547800273 /nfs/dbraw/zinc/80/02/73/547800273.db2.gz HLXJHSBTYIWJNI-UHFFFAOYSA-N 0 3 354.498 2.112 20 30 FEEDHN C=CCN(CC(=O)NCC(C)(C)N1CCOCC1)CC1CCCCC1 ZINC000485010609 561310363 /nfs/dbraw/zinc/31/03/63/561310363.db2.gz UBPPGHABNVEYII-UHFFFAOYSA-N 0 3 351.535 2.282 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CCCC[C@H]2C(N)=O)c1 ZINC000184800820 547880853 /nfs/dbraw/zinc/88/08/53/547880853.db2.gz CTCFGWHAEUYRES-MSOLQXFVSA-N 0 3 356.470 2.184 20 30 FEEDHN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1COc2ccccc21 ZINC000185582798 548005525 /nfs/dbraw/zinc/00/55/25/548005525.db2.gz ISDQJRPMEKMTST-KSSFIOAISA-N 0 3 356.447 2.486 20 30 FEEDHN C=CCN(C(=O)CC1CCN(C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000486211646 561341266 /nfs/dbraw/zinc/34/12/66/561341266.db2.gz FRGIBSPFBGCKLW-MRXNPFEDSA-N 0 3 368.485 2.470 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)CC1 ZINC000190051928 548316687 /nfs/dbraw/zinc/31/66/87/548316687.db2.gz YLIYQAIFWIYPKO-UHFFFAOYSA-N 0 3 363.465 2.099 20 30 FEEDHN C[C@@H](C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000486560357 561350836 /nfs/dbraw/zinc/35/08/36/561350836.db2.gz NWCDWHKCJFVKEL-VGOFRKELSA-N 0 3 363.461 2.415 20 30 FEEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000246271663 549093289 /nfs/dbraw/zinc/09/32/89/549093289.db2.gz ANQSZKKXQITITQ-WMLDXEAASA-N 0 3 356.470 2.271 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000246778668 549210052 /nfs/dbraw/zinc/21/00/52/549210052.db2.gz PWVZQKLQHQLJRN-QUCCMNQESA-N 0 3 369.513 2.138 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)CC1 ZINC000246778053 549210380 /nfs/dbraw/zinc/21/03/80/549210380.db2.gz ZDVGKTDBIKUXOB-KCYKTTMJSA-N 0 3 355.548 2.406 20 30 FEEDHN CN(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000489118193 561403736 /nfs/dbraw/zinc/40/37/36/561403736.db2.gz SHVMPDNUXIVCGE-KRWDZBQOSA-N 0 3 353.463 2.486 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCCC[C@H]3C)CC2)o1 ZINC000248892972 549523145 /nfs/dbraw/zinc/52/31/45/549523145.db2.gz FGGVTZAXEBVCQR-PBHICJAKSA-N 0 3 359.474 2.014 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000249172071 549564097 /nfs/dbraw/zinc/56/40/97/549564097.db2.gz LKIDJHDABLENML-CRAIPNDOSA-N 0 3 359.470 2.379 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489770960 561418878 /nfs/dbraw/zinc/41/88/78/561418878.db2.gz HIRWNLXQRWTYAK-ZDUSSCGKSA-N 0 3 371.407 2.380 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000249953599 549636047 /nfs/dbraw/zinc/63/60/47/549636047.db2.gz VLLCJDHLBZZNDL-PZJWPPBQSA-N 0 3 360.498 2.488 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)CC1 ZINC000251433501 549645440 /nfs/dbraw/zinc/64/54/40/549645440.db2.gz BOQAZFAQSKFDCC-VAMGGRTRSA-N 0 3 356.466 2.073 20 30 FEEDHN COc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccc1OCC(N)=O ZINC000264232483 549992865 /nfs/dbraw/zinc/99/28/65/549992865.db2.gz BWLICFYAJPGQFV-AWEZNQCLSA-N 0 3 369.421 2.312 20 30 FEEDHN C#CCOc1cc(F)ccc1NC(=O)NC1CCN(CCCOC)CC1 ZINC000266441908 550020557 /nfs/dbraw/zinc/02/05/57/550020557.db2.gz XUGZAEDGGBTUEK-UHFFFAOYSA-N 0 3 363.433 2.460 20 30 FEEDHN CN(C)CCn1nnnc1SCc1cc(C#N)ccc1Br ZINC000491582370 561446769 /nfs/dbraw/zinc/44/67/69/561446769.db2.gz XFMARLHHEOGSLV-UHFFFAOYSA-N 0 3 367.276 2.161 20 30 FEEDHN CN(CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000492268622 561450580 /nfs/dbraw/zinc/45/05/80/561450580.db2.gz KEZKERYKVRLERZ-OAHLLOKOSA-N 0 3 359.449 2.060 20 30 FEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269066367 550150549 /nfs/dbraw/zinc/15/05/49/550150549.db2.gz CWMXBVMOOSMXJL-STQMWFEESA-N 0 3 362.861 2.387 20 30 FEEDHN CC(C)N1CCN(C2CCN(C(=O)NCC#Cc3ccccc3)CC2)CC1 ZINC000270670993 550295297 /nfs/dbraw/zinc/29/52/97/550295297.db2.gz XIGIAEWVJWGIEJ-UHFFFAOYSA-N 0 3 368.525 2.238 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1N(C)C ZINC000270686919 550296934 /nfs/dbraw/zinc/29/69/34/550296934.db2.gz WLZZDTRVJFLZMN-KBPBESRZSA-N 0 3 352.529 2.153 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1=CCN(C)CC1 ZINC000271945338 550412639 /nfs/dbraw/zinc/41/26/39/550412639.db2.gz XHMNYVJMVQYJGZ-AWEZNQCLSA-N 0 3 372.494 2.255 20 30 FEEDHN CCN1CCN([C@H](C)CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494328756 561467370 /nfs/dbraw/zinc/46/73/70/561467370.db2.gz VYFFDCVTNVXDTM-YLJYHZDGSA-N 0 3 372.513 2.104 20 30 FEEDHN CC(=O)NC1CCC(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272248590 550431379 /nfs/dbraw/zinc/43/13/79/550431379.db2.gz UUGZICPEUGQFFS-TVPLGVNVSA-N 0 3 354.454 2.091 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@H]2C1 ZINC000272620333 550461194 /nfs/dbraw/zinc/46/11/94/550461194.db2.gz LSHUPPZSWHFXLN-QAPCUYQASA-N 0 3 354.454 2.220 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CN2CCCC2)c2ccc(OC)cc2)CC1 ZINC000272693632 550465456 /nfs/dbraw/zinc/46/54/56/550465456.db2.gz UVQVEGFVQQSLPW-NRFANRHFSA-N 0 3 369.509 2.294 20 30 FEEDHN CC1(C#N)CCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000272750190 550468556 /nfs/dbraw/zinc/46/85/56/550468556.db2.gz IRTRJDKTMFSFOK-GOSISDBHSA-N 0 3 356.470 2.088 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cnc(OCc3ccccc3)cn2)CC1 ZINC000277472651 550674811 /nfs/dbraw/zinc/67/48/11/550674811.db2.gz IXZRQBSJSNGWCL-UHFFFAOYSA-N 0 3 352.438 2.436 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc1Cl ZINC000277644839 550696223 /nfs/dbraw/zinc/69/62/23/550696223.db2.gz DENFFYLHLMJMIV-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCN(CC)CCC(F)(F)F)CC1 ZINC000494963406 561480034 /nfs/dbraw/zinc/48/00/34/561480034.db2.gz IHCBGUUMTHWLRD-UHFFFAOYSA-N 0 3 350.429 2.210 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000278186649 550758907 /nfs/dbraw/zinc/75/89/07/550758907.db2.gz CZEVCIQOLPHDDJ-RHSMWYFYSA-N 0 3 359.426 2.076 20 30 FEEDHN NC(=NOCc1nnc2n1CCCC2)c1ccccc1CN1CCCCC1 ZINC000278270920 550767562 /nfs/dbraw/zinc/76/75/62/550767562.db2.gz OZIPOHOOSMPGNQ-UHFFFAOYSA-N 0 3 368.485 2.437 20 30 FEEDHN COc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nc1 ZINC000278359318 550777076 /nfs/dbraw/zinc/77/70/76/550777076.db2.gz JKMXAGNZZSAZAK-UHFFFAOYSA-N 0 3 367.453 2.235 20 30 FEEDHN CC(C)(C)N1C[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)CC1=O ZINC000278697388 550812294 /nfs/dbraw/zinc/81/22/94/550812294.db2.gz QOQHYWQBDAFQSM-QGZVFWFLSA-N 0 3 366.469 2.348 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2nccs2)cc1 ZINC000278727293 550815363 /nfs/dbraw/zinc/81/53/63/550815363.db2.gz VMSTXOWJYCINRS-NSHDSACASA-N 0 3 364.452 2.193 20 30 FEEDHN C#CCC(CC#C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000278770309 550820175 /nfs/dbraw/zinc/82/01/75/550820175.db2.gz WYRQUJWKRWFTBH-NRFANRHFSA-N 0 3 351.494 2.144 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000279723027 550921332 /nfs/dbraw/zinc/92/13/32/550921332.db2.gz MROMKANMOWJGDG-HXUWFJFHSA-N 0 3 372.428 2.225 20 30 FEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000279894096 550940627 /nfs/dbraw/zinc/94/06/27/550940627.db2.gz DCTDOMUQCLCQEP-CJNGLKHVSA-N 0 3 364.371 2.336 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@]12CCCO2 ZINC000280101973 550961026 /nfs/dbraw/zinc/96/10/26/550961026.db2.gz SRUNTIFTIYVWRJ-AJYBTWMASA-N 0 3 353.422 2.083 20 30 FEEDHN Cc1ccc(N2CC[C@@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000280432668 550993232 /nfs/dbraw/zinc/99/32/32/550993232.db2.gz MNTKWKUSFYZMNJ-AZUAARDMSA-N 0 3 372.428 2.471 20 30 FEEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCNC1=O ZINC000282399226 551223127 /nfs/dbraw/zinc/22/31/27/551223127.db2.gz PMWSVSNNJRCHQK-HNNXBMFYSA-N 0 3 374.510 2.428 20 30 FEEDHN C=CCOc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000497462084 561501459 /nfs/dbraw/zinc/50/14/59/561501459.db2.gz OOWYTDLCQRDDNZ-XLIONFOSSA-N 0 3 357.498 2.349 20 30 FEEDHN C[C@H](O)c1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000283073594 551307699 /nfs/dbraw/zinc/30/76/99/551307699.db2.gz PXQWKKOUFQGFGY-ZDUSSCGKSA-N 0 3 358.467 2.272 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000283852319 551438483 /nfs/dbraw/zinc/43/84/83/551438483.db2.gz FUBJNTBGSGSRTE-LJQANCHMSA-N 0 3 370.497 2.047 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOC[C@H]1CCCO1 ZINC000498387784 561523827 /nfs/dbraw/zinc/52/38/27/561523827.db2.gz YXKYQRYOFQNFKM-LJQANCHMSA-N 0 3 359.470 2.034 20 30 FEEDHN CCOC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000286329436 551875150 /nfs/dbraw/zinc/87/51/50/551875150.db2.gz WYUZPZFUUMNFPB-KRWDZBQOSA-N 0 3 355.442 2.333 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H](C)c2ccc(C)cc2)CC1 ZINC000286460990 551888137 /nfs/dbraw/zinc/88/81/37/551888137.db2.gz IBPSALRRIHPXFJ-KRWDZBQOSA-N 0 3 357.498 2.371 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCS[C@H](C)C2)cc1 ZINC000287119441 551966095 /nfs/dbraw/zinc/96/60/95/551966095.db2.gz KLYUMMAWBIXPNT-NEPJUHHUSA-N 0 3 353.469 2.342 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)ns1)C(C)C ZINC000287291658 551985846 /nfs/dbraw/zinc/98/58/46/551985846.db2.gz CMISDOLJJTXLSX-CQSZACIVSA-N 0 3 350.488 2.205 20 30 FEEDHN C#CCC(CC#C)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000288204141 552109838 /nfs/dbraw/zinc/10/98/38/552109838.db2.gz YMSFSXYXTFRWPC-UHFFFAOYSA-N 0 3 356.441 2.448 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000288228127 552114749 /nfs/dbraw/zinc/11/47/49/552114749.db2.gz UXNXJIHCDYZTPT-XHSDSOJGSA-N 0 3 370.453 2.001 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000288228121 552114998 /nfs/dbraw/zinc/11/49/98/552114998.db2.gz UXNXJIHCDYZTPT-OAGGEKHMSA-N 0 3 370.453 2.001 20 30 FEEDHN N#CC1(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CCOCC1 ZINC000288258756 552121077 /nfs/dbraw/zinc/12/10/77/552121077.db2.gz GKWVBXRHSZLBEA-FQEVSTJZSA-N 0 3 353.466 2.431 20 30 FEEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288476211 552159862 /nfs/dbraw/zinc/15/98/62/552159862.db2.gz PAVWNNCTXUAVMP-HYVNUMGLSA-N 0 3 356.445 2.219 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000288518202 552167529 /nfs/dbraw/zinc/16/75/29/552167529.db2.gz PCDCIDRSDAJLEA-ICSRJNTNSA-N 0 3 357.498 2.421 20 30 FEEDHN Cn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000289303671 552298174 /nfs/dbraw/zinc/29/81/74/552298174.db2.gz IXMWMGRMBXOPMB-UHFFFAOYSA-N 0 3 350.470 2.352 20 30 FEEDHN Cn1cc(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1C#N ZINC000289681579 552361027 /nfs/dbraw/zinc/36/10/27/552361027.db2.gz NYSFPISFDORRET-OAQYLSRUSA-N 0 3 363.509 2.289 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(N(C)C)ncn1 ZINC000290739329 552529049 /nfs/dbraw/zinc/52/90/49/552529049.db2.gz PYMORQOCEFKIKG-UHFFFAOYSA-N 0 3 367.457 2.010 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](n3cccn3)C2)cc1 ZINC000291207544 552600514 /nfs/dbraw/zinc/60/05/14/552600514.db2.gz AZMCBCBRSLYOFB-DZGCQCFKSA-N 0 3 373.438 2.048 20 30 FEEDHN CO[C@@](C)(CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000292169779 552700745 /nfs/dbraw/zinc/70/07/45/552700745.db2.gz FUYDFUSAZFJXSD-FQEVSTJZSA-N 0 3 358.486 2.447 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292246944 552708352 /nfs/dbraw/zinc/70/83/52/552708352.db2.gz JYAGRJKSSBKRPD-GOSISDBHSA-N 0 3 369.469 2.156 20 30 FEEDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000292847109 552764507 /nfs/dbraw/zinc/76/45/07/552764507.db2.gz SVNUJVSOFLCNDX-MJGOQNOKSA-N 0 3 358.438 2.357 20 30 FEEDHN CC(C)(CO)[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000293037567 552783011 /nfs/dbraw/zinc/78/30/11/552783011.db2.gz LTDWMAGCXFJGHE-GOSISDBHSA-N 0 3 367.453 2.069 20 30 FEEDHN CN1CCC[C@]2(CCN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)C2)C1 ZINC000293377064 552817196 /nfs/dbraw/zinc/81/71/96/552817196.db2.gz NFSSIVPKZCYFHO-SFHVURJKSA-N 0 3 360.845 2.094 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2ccc(OC)c(OC)c2Cl)CC1 ZINC000294028930 552876495 /nfs/dbraw/zinc/87/64/95/552876495.db2.gz NUEKORKILNULJP-UHFFFAOYSA-N 0 3 364.873 2.361 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCCCNC(=O)OCc1ccccc1 ZINC000294117999 552883357 /nfs/dbraw/zinc/88/33/57/552883357.db2.gz ZLTKBWIBACLLJH-UHFFFAOYSA-N 0 3 359.470 2.154 20 30 FEEDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294243641 552890778 /nfs/dbraw/zinc/89/07/78/552890778.db2.gz PLRYHWPSJUYSFI-IRXDYDNUSA-N 0 3 351.447 2.086 20 30 FEEDHN CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000294833965 552937603 /nfs/dbraw/zinc/93/76/03/552937603.db2.gz REGRNAVBIQPTIR-ZWKOTPCHSA-N 0 3 364.449 2.004 20 30 FEEDHN C#CCO[C@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000295766714 553056355 /nfs/dbraw/zinc/05/63/55/553056355.db2.gz IDNFPPJANWTYBK-OAHLLOKOSA-N 0 3 364.873 2.338 20 30 FEEDHN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000296066968 553099151 /nfs/dbraw/zinc/09/91/51/553099151.db2.gz WIPABBOHNZMFRX-INIZCTEOSA-N 0 3 357.506 2.246 20 30 FEEDHN CC1(C)[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]2CCO[C@H]21 ZINC000296089830 553103167 /nfs/dbraw/zinc/10/31/67/553103167.db2.gz HJJHQLAAEJETPM-KBAYOESNSA-N 0 3 365.437 2.086 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296561013 553179817 /nfs/dbraw/zinc/17/98/17/553179817.db2.gz NSYHRJVRMHHSFL-ZDUSSCGKSA-N 0 3 362.499 2.456 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296791005 553212210 /nfs/dbraw/zinc/21/22/10/553212210.db2.gz HNLKCRXTCWXWCK-UHFFFAOYSA-N 0 3 374.441 2.103 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000502850950 561627613 /nfs/dbraw/zinc/62/76/13/561627613.db2.gz BVDVNESQKZGLJX-SJORKVTESA-N 0 3 356.470 2.054 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000296884819 553224874 /nfs/dbraw/zinc/22/48/74/553224874.db2.gz LZRASSRRQADPIC-KRWDZBQOSA-N 0 3 353.470 2.165 20 30 FEEDHN CN(C)C1(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CCC1 ZINC000297335353 553279764 /nfs/dbraw/zinc/27/97/64/553279764.db2.gz JOPRIEWWGBXGDF-UHFFFAOYSA-N 0 3 362.499 2.456 20 30 FEEDHN Cc1nsc(NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1C#N ZINC000297552069 553308177 /nfs/dbraw/zinc/30/81/77/553308177.db2.gz ZPQONXSILRZYBE-OAHLLOKOSA-N 0 3 371.466 2.212 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000297556963 553308471 /nfs/dbraw/zinc/30/84/71/553308471.db2.gz RPWAGVLJZFOXNS-UHFFFAOYSA-N 0 3 361.461 2.172 20 30 FEEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN[C@@H]3C(=O)NCC[C@H]3C)sc2C1 ZINC000298374119 553418161 /nfs/dbraw/zinc/41/81/61/553418161.db2.gz DBFMSWHKILMMAI-QFSBIZTOSA-N 0 3 374.510 2.187 20 30 FEEDHN N#Cc1ccc(N2CC[C@@H](N[C@@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000298856655 553481746 /nfs/dbraw/zinc/48/17/46/553481746.db2.gz IWNDSRRGSXQPDD-MSOLQXFVSA-N 0 3 354.454 2.077 20 30 FEEDHN Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)c(C#N)c1C ZINC000301175755 553628481 /nfs/dbraw/zinc/62/84/81/553628481.db2.gz GDEISYSTJJWBBL-UHFFFAOYSA-N 0 3 364.497 2.219 20 30 FEEDHN CN(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccc(F)cc1 ZINC000301372953 553646374 /nfs/dbraw/zinc/64/63/74/553646374.db2.gz QHDIZRRWRMVLBZ-QGZVFWFLSA-N 0 3 362.430 2.060 20 30 FEEDHN C=CCN1CCC(Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000301383806 553647570 /nfs/dbraw/zinc/64/75/70/553647570.db2.gz BJFIMZIPAGWVCT-UHFFFAOYSA-N 0 3 350.375 2.366 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000328693589 553808179 /nfs/dbraw/zinc/80/81/79/553808179.db2.gz SGULGYWVDISQRW-CABCVRRESA-N 0 3 350.507 2.011 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CCN1C ZINC000328728527 553813237 /nfs/dbraw/zinc/81/32/37/553813237.db2.gz GXQOZRCWGORLCY-OIISXLGYSA-N 0 3 359.474 2.293 20 30 FEEDHN CN1CCCN(C(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC000328783436 553821829 /nfs/dbraw/zinc/82/18/29/553821829.db2.gz NNIUMTCBMHRHKY-KRWDZBQOSA-N 0 3 361.490 2.022 20 30 FEEDHN CN1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328783436 553821830 /nfs/dbraw/zinc/82/18/30/553821830.db2.gz NNIUMTCBMHRHKY-KRWDZBQOSA-N 0 3 361.490 2.022 20 30 FEEDHN CC(=O)N1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC12CCCCC2 ZINC000328963281 553854541 /nfs/dbraw/zinc/85/45/41/553854541.db2.gz LKJVPOBVEGEIOQ-NVXWUHKLSA-N 0 3 350.507 2.250 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000329100596 553880521 /nfs/dbraw/zinc/88/05/21/553880521.db2.gz ZNPRJXUSVFFDFC-MRXNPFEDSA-N 0 3 374.460 2.405 20 30 FEEDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000329135162 553886906 /nfs/dbraw/zinc/88/69/06/553886906.db2.gz BZLDOQLHCWDRHW-ZDUSSCGKSA-N 0 3 365.437 2.497 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000329151076 553890238 /nfs/dbraw/zinc/89/02/38/553890238.db2.gz ZWXFWRIMIYHVRW-XDNAFOTISA-N 0 3 353.507 2.291 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)[C@H]2C1 ZINC000329172276 553894935 /nfs/dbraw/zinc/89/49/35/553894935.db2.gz AFSJWWAVOFEITA-GJYPPUQNSA-N 0 3 356.445 2.076 20 30 FEEDHN CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@H](N4CCCC4)[C@H]3C)c2C1 ZINC000329235938 553908249 /nfs/dbraw/zinc/90/82/49/553908249.db2.gz NYCHKEDTZXVQDR-KYJSFNMBSA-N 0 3 373.501 2.121 20 30 FEEDHN C[C@@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000329264442 553913766 /nfs/dbraw/zinc/91/37/66/553913766.db2.gz GRYRRMXJCNBPNI-LJISPDSOSA-N 0 3 357.520 2.161 20 30 FEEDHN CN(C)C(=O)C1(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000329268885 553913971 /nfs/dbraw/zinc/91/39/71/553913971.db2.gz DXMULZJLVBHZNZ-KRWDZBQOSA-N 0 3 359.470 2.102 20 30 FEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)C1(N2CCOCC2)CCC1 ZINC000329318786 553924791 /nfs/dbraw/zinc/92/47/91/553924791.db2.gz FUYOKTIASBZTCH-UHFFFAOYSA-N 0 3 373.497 2.486 20 30 FEEDHN C[C@@H]1C(=O)CC[C@@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)C1(C)C ZINC000329582942 553971922 /nfs/dbraw/zinc/97/19/22/553971922.db2.gz LOUSNMZQJKJMFN-ZBFHGGJFSA-N 0 3 365.518 2.385 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)CCN1C ZINC000329778509 554003923 /nfs/dbraw/zinc/00/39/23/554003923.db2.gz QDLGWSXFUOCOML-QAPCUYQASA-N 0 3 358.486 2.278 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)CCN1C ZINC000329792485 554007039 /nfs/dbraw/zinc/00/70/39/554007039.db2.gz AFBWWXLVIOARFX-SJLPKXTDSA-N 0 3 364.534 2.498 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3cscn3)CC2)CCN1C ZINC000329799745 554007868 /nfs/dbraw/zinc/00/78/68/554007868.db2.gz HSRRNLKMXYGQII-HUUCEWRRSA-N 0 3 351.520 2.048 20 30 FEEDHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@H](C)[C@H]3CO)c2)CC1 ZINC000329915168 554030935 /nfs/dbraw/zinc/03/09/35/554030935.db2.gz CWVJEWGVZPNJOT-QFBILLFUSA-N 0 3 360.502 2.467 20 30 FEEDHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H](C)[C@@H]3CO)c2)CC1 ZINC000329915166 554031241 /nfs/dbraw/zinc/03/12/41/554031241.db2.gz CWVJEWGVZPNJOT-APWZRJJASA-N 0 3 360.502 2.467 20 30 FEEDHN C[C@H](CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)N1CCC(C)CC1 ZINC000329938725 554035375 /nfs/dbraw/zinc/03/53/75/554035375.db2.gz ANGGCNGEPFZBRY-VQIMIIECSA-N 0 3 353.507 2.291 20 30 FEEDHN COc1cnccc1[C@H](C)NC(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000329964981 554040103 /nfs/dbraw/zinc/04/01/03/554040103.db2.gz QVNPPENUBGVSBO-NWDGAFQWSA-N 0 3 356.444 2.090 20 30 FEEDHN CC(C(=O)N[C@@H](C)c1ccc2c(c1)OCO2)S(=O)(=O)C1CCOCC1 ZINC000330037237 554053142 /nfs/dbraw/zinc/05/31/42/554053142.db2.gz DDKQNZWZFUBONU-NWDGAFQWSA-N 0 3 369.439 2.415 20 30 FEEDHN C[C@H](CNC(=O)N1CCC(O[C@@H]2CCOC2)CC1)N1CCC[C@@H](C)C1 ZINC000330043309 554054052 /nfs/dbraw/zinc/05/40/52/554054052.db2.gz AEENAESOAFCXIG-JFIYKMOQSA-N 0 3 353.507 2.291 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCn3cnnc3[C@H]2C)C1 ZINC000330066560 554058030 /nfs/dbraw/zinc/05/80/30/554058030.db2.gz SZCCUDGXFPECJM-INMHGKMJSA-N 0 3 354.458 2.404 20 30 FEEDHN CC(C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)S(=O)(=O)C1CCOCC1 ZINC000330082746 554061567 /nfs/dbraw/zinc/06/15/67/554061567.db2.gz AXMDXGMQOZORLT-WDEREUQCSA-N 0 3 373.475 2.367 20 30 FEEDHN CC(C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)S(=O)(=O)C1CCOCC1 ZINC000330082745 554061669 /nfs/dbraw/zinc/06/16/69/554061669.db2.gz AXMDXGMQOZORLT-QWRGUYRKSA-N 0 3 373.475 2.367 20 30 FEEDHN CC(=O)N1CCc2cc(NC(=O)NC[C@@]3(N(C)C)CCSC3)ccc21 ZINC000330088498 554062492 /nfs/dbraw/zinc/06/24/92/554062492.db2.gz UTNKYQWOGNAGFT-SFHVURJKSA-N 0 3 362.499 2.359 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2c(C)nn(C)c2C)C[C@@H]1N1CCCC1 ZINC000330098589 554063934 /nfs/dbraw/zinc/06/39/34/554063934.db2.gz CBYOBWYBVXXQMF-GJZGRUSLSA-N 0 3 351.520 2.137 20 30 FEEDHN CC[C@H](NC(=O)Nc1ccn(C2CCN(C)CC2)n1)c1c(C)nn(C)c1C ZINC000330208966 554085541 /nfs/dbraw/zinc/08/55/41/554085541.db2.gz HDRSITLQTKYZDA-INIZCTEOSA-N 0 3 373.505 2.977 20 30 FEEDHN O=C(NCC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1)c1ccccn1 ZINC000330241251 554091500 /nfs/dbraw/zinc/09/15/00/554091500.db2.gz WDFJSEZOLCLPTO-SFHVURJKSA-N 0 3 356.470 2.252 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NCC1CC1 ZINC000507816785 561742042 /nfs/dbraw/zinc/74/20/42/561742042.db2.gz XZENPAJNLSKNNV-UHFFFAOYSA-N 0 3 363.531 2.111 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCOC1CCCCC1 ZINC000330270659 554097218 /nfs/dbraw/zinc/09/72/18/554097218.db2.gz UPATVZRVNPOGQO-MRXNPFEDSA-N 0 3 353.507 2.435 20 30 FEEDHN CCN1CCC(NC(=O)[C@@H]2CCC(=O)N(CC)[C@@H]2c2cnn(C)c2)CC1 ZINC000330290642 554100187 /nfs/dbraw/zinc/10/01/87/554100187.db2.gz FZFZPNKZQSMKTN-SJLPKXTDSA-N 0 3 361.490 2.161 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCOC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000330321224 554105043 /nfs/dbraw/zinc/10/50/43/554105043.db2.gz FTJMZKANFRISTG-BVIKNXMNSA-N 0 3 353.507 2.147 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000330337546 554107404 /nfs/dbraw/zinc/10/74/04/554107404.db2.gz UDABUAJPJQIQER-BPQIPLTHSA-N 0 3 363.506 2.327 20 30 FEEDHN CC(C(=O)NCc1ccc2c(c1)COC2)S(=O)(=O)C1CCOCC1 ZINC000330346999 554109615 /nfs/dbraw/zinc/10/96/15/554109615.db2.gz HGNOMZVALGCPQC-LBPRGKRZSA-N 0 3 353.440 2.156 20 30 FEEDHN CN(C)C1(CNC(=O)N2CC[C@H](O)C23CCCC3)Cc2ccccc2C1 ZINC000330353267 554110683 /nfs/dbraw/zinc/11/06/83/554110683.db2.gz OGNYFGAVOXFUSE-SFHVURJKSA-N 0 3 357.498 2.379 20 30 FEEDHN CC(C)CC(=O)N1CCC(NC(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000330452463 554123094 /nfs/dbraw/zinc/12/30/94/554123094.db2.gz AVXIFENKNKJVDR-MRXNPFEDSA-N 0 3 352.523 2.402 20 30 FEEDHN CC(C)Cn1ncc(NC(=O)NCC2(O)CCN(C)CC2)c1C(F)F ZINC000330503342 554130427 /nfs/dbraw/zinc/13/04/27/554130427.db2.gz ZADZHKPETLPTII-UHFFFAOYSA-N 0 3 359.421 2.259 20 30 FEEDHN COc1c(NC(=O)NC2CCN(C)CC2)cc(Cl)cc1C(=O)N(C)C ZINC000330556133 554138070 /nfs/dbraw/zinc/13/80/70/554138070.db2.gz FMSXREMUALMNGW-UHFFFAOYSA-N 0 3 368.865 2.471 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)C[C@H]1N(C)C ZINC000330725894 554163711 /nfs/dbraw/zinc/16/37/11/554163711.db2.gz ZTQLTGGMCTXSQH-CABCVRRESA-N 0 3 354.451 2.307 20 30 FEEDHN Cc1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc1S(C)(=O)=O ZINC000330785716 554170921 /nfs/dbraw/zinc/17/09/21/554170921.db2.gz LZMGMTMZTXCFTQ-CYBMUJFWSA-N 0 3 351.472 2.375 20 30 FEEDHN Cc1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1S(C)(=O)=O ZINC000330785717 554171085 /nfs/dbraw/zinc/17/10/85/554171085.db2.gz LZMGMTMZTXCFTQ-ZDUSSCGKSA-N 0 3 351.472 2.375 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000330967483 554195013 /nfs/dbraw/zinc/19/50/13/554195013.db2.gz BMCGFNHDKHFTKL-ZBFHGGJFSA-N 0 3 351.328 2.156 20 30 FEEDHN CC(C)N1C(=O)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(C)C ZINC000330979555 554196884 /nfs/dbraw/zinc/19/68/84/554196884.db2.gz IWGAAXQHRYNGOF-QGZVFWFLSA-N 0 3 352.438 2.098 20 30 FEEDHN Cc1ncc(S(=O)(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc1C#N ZINC000331173268 554225348 /nfs/dbraw/zinc/22/53/48/554225348.db2.gz UWAVPXDAXPCZAI-CYBMUJFWSA-N 0 3 350.488 2.051 20 30 FEEDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cccnc2C#N)C1 ZINC000331194666 554228980 /nfs/dbraw/zinc/22/89/80/554228980.db2.gz WOEUADDLHVAALE-AWEZNQCLSA-N 0 3 350.488 2.132 20 30 FEEDHN CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331304774 554244543 /nfs/dbraw/zinc/24/45/43/554244543.db2.gz UPJWTZWZWJVHNT-VHSXEESVSA-N 0 3 361.368 2.047 20 30 FEEDHN Cc1ccc(S(N)(=O)=O)c(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000331308013 554245220 /nfs/dbraw/zinc/24/52/20/554245220.db2.gz WWZQMGJCSGVLOO-UHFFFAOYSA-N 0 3 353.488 2.069 20 30 FEEDHN C[C@H]1CN(CC2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000331925788 554347292 /nfs/dbraw/zinc/34/72/92/554347292.db2.gz DCMKFOHLZIDKFG-IRXDYDNUSA-N 0 3 370.497 2.318 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000334051987 554673087 /nfs/dbraw/zinc/67/30/87/554673087.db2.gz SMBHNFAVBHEYGP-NRFANRHFSA-N 0 3 369.465 2.456 20 30 FEEDHN CCN(CCC#N)C(=O)CN1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000361038200 554901991 /nfs/dbraw/zinc/90/19/91/554901991.db2.gz YZMYTWSBCWDNTB-UXHICEINSA-N 0 3 354.498 2.487 20 30 FEEDHN CCN1C(=O)N=NC1C1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000362728765 554984710 /nfs/dbraw/zinc/98/47/10/554984710.db2.gz VZIZWBQTMAFWIF-UHFFFAOYSA-N 0 3 371.441 2.142 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2Cn2nc(C)nc2C)CC1 ZINC000362742011 554985929 /nfs/dbraw/zinc/98/59/29/554985929.db2.gz QIHRUXBAAORYEB-GOSISDBHSA-N 0 3 360.506 2.109 20 30 FEEDHN C#CCNC(=O)[C@@H](C)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000363246143 555062447 /nfs/dbraw/zinc/06/24/47/555062447.db2.gz PSHRBWBNABZBHR-OAHLLOKOSA-N 0 3 356.445 2.229 20 30 FEEDHN C#CCN1CCC(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000363416372 555100589 /nfs/dbraw/zinc/10/05/89/555100589.db2.gz OKFQIPPZPIWVAK-UHFFFAOYSA-N 0 3 367.493 2.000 20 30 FEEDHN C#CC[C@@H](C)NC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000363605189 555145881 /nfs/dbraw/zinc/14/58/81/555145881.db2.gz DBZOCSDSOOPKFL-XLIONFOSSA-N 0 3 357.498 2.485 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)CC1 ZINC000363815284 555191928 /nfs/dbraw/zinc/19/19/28/555191928.db2.gz HKOBZZNGEBKZJM-UHFFFAOYSA-N 0 3 366.469 2.162 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCN([C@H](C)CO)CC1 ZINC000364215958 555272095 /nfs/dbraw/zinc/27/20/95/555272095.db2.gz QRJZNNSVINARKM-SJORKVTESA-N 0 3 365.543 2.040 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000512689157 561912321 /nfs/dbraw/zinc/91/23/21/561912321.db2.gz APLORKFRPINDDT-UHFFFAOYSA-N 0 3 354.498 2.356 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCCC2)cc1 ZINC000364823524 555407754 /nfs/dbraw/zinc/40/77/54/555407754.db2.gz VBWHYSUSRWQTHF-GOSISDBHSA-N 0 3 354.454 2.364 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](N)[C@H](c2ccc(F)cc2)C1 ZINC000364913816 555436267 /nfs/dbraw/zinc/43/62/67/555436267.db2.gz MMPGKQBSFOTPRC-IRXDYDNUSA-N 0 3 359.426 2.121 20 30 FEEDHN C=CCc1cc(CNC[C@H]2CCCCN2S(C)(=O)=O)cc(OC)c1O ZINC000513006608 561922419 /nfs/dbraw/zinc/92/24/19/561922419.db2.gz AAENHOVMTQAEFH-MRXNPFEDSA-N 0 3 368.499 2.033 20 30 FEEDHN C=CCN(C(=O)[C@H]1CCCN1C(C)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000365258463 555524911 /nfs/dbraw/zinc/52/49/11/555524911.db2.gz OSSHSCVPLAQSBK-WOJBJXKFSA-N 0 3 355.482 2.286 20 30 FEEDHN CN1CC[C@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@@H]1c1cccs1 ZINC000365645500 555630706 /nfs/dbraw/zinc/63/07/06/555630706.db2.gz CIVLKJOABPGLJI-CZUORRHYSA-N 0 3 358.471 2.673 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000365852517 555683517 /nfs/dbraw/zinc/68/35/17/555683517.db2.gz KJHJSIDJBWGFCI-UHFFFAOYSA-N 0 3 367.453 2.235 20 30 FEEDHN C[C@H](N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013879 555727502 /nfs/dbraw/zinc/72/75/02/555727502.db2.gz YNCDNSXYRWUETR-DOTOQJQBSA-N 0 3 362.905 2.269 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](CC)O[C@@]3(CCCOC3)C2)CC1 ZINC000366303421 555806419 /nfs/dbraw/zinc/80/64/19/555806419.db2.gz GGRZDYWGLHEVEN-HKUYNNGSSA-N 0 3 351.491 2.006 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)O[C@@]3(CCCOC3)C2)CC1 ZINC000366581600 555882565 /nfs/dbraw/zinc/88/25/65/555882565.db2.gz ZTPFVTWYHIJKHF-IBGZPJMESA-N 0 3 351.491 2.006 20 30 FEEDHN C=C(C)[C@@H](CC(=O)N1CCC(N2CCN(CCC)CC2)CC1)OCC ZINC000366824773 555944197 /nfs/dbraw/zinc/94/41/97/555944197.db2.gz GPHXNLDXUNHNNN-LJQANCHMSA-N 0 3 351.535 2.376 20 30 FEEDHN C[C@]1(CNC(=O)N=c2ccn(CCC#N)[nH]2)CCN(Cc2ccccc2)C1 ZINC000366878950 555958814 /nfs/dbraw/zinc/95/88/14/555958814.db2.gz GCGVMPOGTFIRID-HXUWFJFHSA-N 0 3 366.469 2.830 20 30 FEEDHN N#CC1(CCCN2CCC[C@H]2C(=O)NCC2CCOCC2)CCOCC1 ZINC000367085627 556001180 /nfs/dbraw/zinc/00/11/80/556001180.db2.gz QUJUCJWEIQHXLX-SFHVURJKSA-N 0 3 363.502 2.094 20 30 FEEDHN C(#CCN1CCC([C@H]2CCOC2)CC1)CN1CCC([C@H]2CCOC2)CC1 ZINC000367464827 556056980 /nfs/dbraw/zinc/05/69/80/556056980.db2.gz VUVYMBITEYHDHD-VXKWHMMOSA-N 0 3 360.542 2.487 20 30 FEEDHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N1CCCC1 ZINC000514991894 561990619 /nfs/dbraw/zinc/99/06/19/561990619.db2.gz LWAVPXMLLLVTFW-UKRRQHHQSA-N 0 3 374.872 2.165 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000368849698 556428913 /nfs/dbraw/zinc/42/89/13/556428913.db2.gz DSVPWBSJRCNEQF-KRWDZBQOSA-N 0 3 370.478 2.144 20 30 FEEDHN COc1ccc([C@@H]2[C@H](CNC(=O)N3CCO[C@@H](C#N)C3)CCCN2C)cc1 ZINC000369399113 556590748 /nfs/dbraw/zinc/59/07/48/556590748.db2.gz ADZMNSFIFGGZBI-YTQUADARSA-N 0 3 372.469 2.012 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000369406168 556593312 /nfs/dbraw/zinc/59/33/12/556593312.db2.gz IKFBZXTWVIMVHQ-RBUKOAKNSA-N 0 3 359.433 2.421 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCN(c3ccc(C)c(C)c3)C2=O)CC1 ZINC000369589803 556640486 /nfs/dbraw/zinc/64/04/86/556640486.db2.gz ABGYOPQYHLYWBY-FQEVSTJZSA-N 0 3 367.493 2.260 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2COc3ccc(OCC)cc3C2)CC1 ZINC000369591246 556641217 /nfs/dbraw/zinc/64/12/17/556641217.db2.gz KBTZKIUUHAQIQC-QGZVFWFLSA-N 0 3 356.466 2.240 20 30 FEEDHN C#CC[C@@H](NC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)c1ccccc1 ZINC000369698152 556672085 /nfs/dbraw/zinc/67/20/85/556672085.db2.gz UNCGKQKUELUJIS-GOSISDBHSA-N 0 3 351.454 3.036 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(CN3CCCC3=O)CC2)cc1 ZINC000369816300 556703185 /nfs/dbraw/zinc/70/31/85/556703185.db2.gz QZJMNSKRCZHXSW-UHFFFAOYSA-N 0 3 354.454 2.221 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCCC[C@@H]3[C@H]3CNC(=O)C3)C2=O)cc1 ZINC000370500030 556891442 /nfs/dbraw/zinc/89/14/42/556891442.db2.gz OSLGEHCLLHFWTF-QRQLOZEOSA-N 0 3 366.465 2.044 20 30 FEEDHN C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000371353506 557157701 /nfs/dbraw/zinc/15/77/01/557157701.db2.gz IZCDGGGBDVNLFJ-UEALOQRBSA-N 0 3 352.482 2.056 20 30 FEEDHN C#CCOc1ccccc1CN1CCC(C(=O)Nc2cnccn2)CC1 ZINC000371404364 557174976 /nfs/dbraw/zinc/17/49/76/557174976.db2.gz MDGHXPHDQGVBOX-UHFFFAOYSA-N 0 3 350.422 2.339 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3cc(C)ncc3C#N)C2)CC1 ZINC000518364481 562109760 /nfs/dbraw/zinc/10/97/60/562109760.db2.gz ZIHMNVQCMOLHJY-GOSISDBHSA-N 0 3 355.486 2.032 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](OCC)[C@]23CCCO3)CC1 ZINC000371937460 557333631 /nfs/dbraw/zinc/33/36/31/557333631.db2.gz LLUYELRHUQGFSM-LMMKCTJWSA-N 0 3 351.491 2.053 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000372370977 557452544 /nfs/dbraw/zinc/45/25/44/557452544.db2.gz VDFQLVOUFOCJIX-MRXNPFEDSA-N 0 3 352.442 2.658 20 30 FEEDHN CC(C)CN1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000372639465 557527374 /nfs/dbraw/zinc/52/73/74/557527374.db2.gz NAFOJCZEXKKPBI-UHFFFAOYSA-N 0 3 362.861 2.340 20 30 FEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000372728952 557548420 /nfs/dbraw/zinc/54/84/20/557548420.db2.gz JZAGAZPNEVRTEM-ICSRJNTNSA-N 0 3 352.482 2.123 20 30 FEEDHN CN(C)C[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)c2ccccc2O1 ZINC000372788076 557562481 /nfs/dbraw/zinc/56/24/81/557562481.db2.gz ZVSUELXWFAXIOU-SFHVURJKSA-N 0 3 365.433 2.487 20 30 FEEDHN CN1CCC(n2ccc(=NC(=O)C(C)(C)Oc3ccc(C#N)cc3)[nH]2)CC1 ZINC000373276129 557663540 /nfs/dbraw/zinc/66/35/40/557663540.db2.gz AYYMZHMCLLYEQJ-UHFFFAOYSA-N 0 3 367.453 2.818 20 30 FEEDHN Cn1cc(CN2CCC(n3cnc(C#N)n3)CC2)c(-c2cccs2)n1 ZINC000373488116 557702972 /nfs/dbraw/zinc/70/29/72/557702972.db2.gz FOYNSTQAKVCGIX-UHFFFAOYSA-N 0 3 353.455 2.449 20 30 FEEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC(=O)N(CCC#N)CCC#N)C1 ZINC000373909826 557784704 /nfs/dbraw/zinc/78/47/04/557784704.db2.gz DSLIRZGBMNPXDI-YRXWBPOGSA-N 0 3 360.502 2.294 20 30 FEEDHN C=CCN(C[C@H](O)CO[C@@H](C)COC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000373910586 557785121 /nfs/dbraw/zinc/78/51/21/557785121.db2.gz ZYUMZEGANJVHJY-JBACZVJFSA-N 0 3 362.514 2.161 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CCCC2(C#N)CCOCC2)O1 ZINC000374558631 557899640 /nfs/dbraw/zinc/89/96/40/557899640.db2.gz ALJCHRJERMCZSR-NCOADZHNSA-N 0 3 350.459 2.270 20 30 FEEDHN C[C@H](CO)N1CCCN(Cc2cccn2Cc2ccccc2C#N)CC1 ZINC000375487937 558036248 /nfs/dbraw/zinc/03/62/48/558036248.db2.gz YGJHDJPFNJDQBF-GOSISDBHSA-N 0 3 352.482 2.297 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000375665723 558064320 /nfs/dbraw/zinc/06/43/20/558064320.db2.gz RCHVTFQCJUYGLM-RHSMWYFYSA-N 0 3 362.437 2.436 20 30 FEEDHN COC(=O)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000375905158 558097001 /nfs/dbraw/zinc/09/70/01/558097001.db2.gz NCVIBCQWGMYBAQ-IRXDYDNUSA-N 0 3 351.406 2.042 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2SCCc3ccccc32)nc1 ZINC000521612193 562180086 /nfs/dbraw/zinc/18/00/86/562180086.db2.gz KQWYMMXVDXTLME-KRWDZBQOSA-N 0 3 373.503 2.347 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@]23CCOC3)cc1 ZINC000376629265 558200086 /nfs/dbraw/zinc/20/00/86/558200086.db2.gz NGELGCILFKKCSF-SUMWQHHRSA-N 0 3 363.439 2.159 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000377239774 558296249 /nfs/dbraw/zinc/29/62/49/558296249.db2.gz RJXOZAWZLVHPFM-SFTDATJTSA-N 0 3 368.525 2.042 20 30 FEEDHN C=CCN(C(=O)NCC[C@H]1CCC(=O)N1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000377265186 558301573 /nfs/dbraw/zinc/30/15/73/558301573.db2.gz LVCOKKRBOJPTTM-RTBURBONSA-N 0 3 370.497 2.127 20 30 FEEDHN CN(C)C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)c2ccccc2O1 ZINC000378157280 558492878 /nfs/dbraw/zinc/49/28/78/558492878.db2.gz FRCMESRLGQWIIP-INIZCTEOSA-N 0 3 356.470 2.158 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000378308721 558525842 /nfs/dbraw/zinc/52/58/42/558525842.db2.gz NRHKXJYWYDPFEN-LPHOPBHVSA-N 0 3 355.486 2.242 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000524599482 562230962 /nfs/dbraw/zinc/23/09/62/562230962.db2.gz KJJPNUWDVYHCGE-SJLPKXTDSA-N 0 3 358.486 2.156 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000410137645 558741285 /nfs/dbraw/zinc/74/12/85/558741285.db2.gz NOZOMFMWPWSCCM-HNNXBMFYSA-N 0 3 352.504 2.186 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 ZINC000524939862 562237859 /nfs/dbraw/zinc/23/78/59/562237859.db2.gz AHOUCLJCAQEDDP-KRWDZBQOSA-N 0 3 364.534 2.221 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000411266033 558863699 /nfs/dbraw/zinc/86/36/99/558863699.db2.gz ZDQCQMMCSYJAIP-UHFFFAOYSA-N 0 3 351.422 2.129 20 30 FEEDHN COC[C@](C)(CC(=O)OC)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411392554 558886430 /nfs/dbraw/zinc/88/64/30/558886430.db2.gz QEYBQXNKOQQZMG-KRWDZBQOSA-N 0 3 367.833 2.098 20 30 FEEDHN CC(C)OC[C@@H](CO)N(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411640354 558934033 /nfs/dbraw/zinc/93/40/33/558934033.db2.gz VQXZPZSLAQQBED-OAHLLOKOSA-N 0 3 353.850 2.258 20 30 FEEDHN CC[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccccc1 ZINC000411887054 558983129 /nfs/dbraw/zinc/98/31/29/558983129.db2.gz FRSLGJACBNOSJZ-QGZVFWFLSA-N 0 3 367.453 2.244 20 30 FEEDHN C=CCOC[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)OC ZINC000412303497 559026320 /nfs/dbraw/zinc/02/63/20/559026320.db2.gz FZQREQLMRJHZEO-SFHVURJKSA-N 0 3 360.454 2.147 20 30 FEEDHN CN(C)CCOc1cnccc1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412343457 559029301 /nfs/dbraw/zinc/02/93/01/559029301.db2.gz CRKGKFAGKCXNLB-RBUKOAKNSA-N 0 3 364.449 2.314 20 30 FEEDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc(C#N)c(C)n1 ZINC000412562886 559043513 /nfs/dbraw/zinc/04/35/13/559043513.db2.gz JKZCMWJRLXEVML-UHFFFAOYSA-N 0 3 354.410 2.463 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1OCC ZINC000412679503 559050305 /nfs/dbraw/zinc/05/03/05/559050305.db2.gz WZOXLLPMMKVFKX-YSTOQKLRSA-N 0 3 358.482 2.231 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000412838201 559058089 /nfs/dbraw/zinc/05/80/89/559058089.db2.gz JMJUIRPNICRBQV-WBVHZDCISA-N 0 3 365.495 2.272 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000413106259 559078488 /nfs/dbraw/zinc/07/84/88/559078488.db2.gz ZVXOHBOBOLAXTK-FQEVSTJZSA-N 0 3 358.530 2.499 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC000413922148 559140610 /nfs/dbraw/zinc/14/06/10/559140610.db2.gz KFXDWHPSQCESHO-ROUUACIJSA-N 0 3 360.479 2.185 20 30 FEEDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000414467279 559166422 /nfs/dbraw/zinc/16/64/22/559166422.db2.gz YALSYIBVMKVHOW-KBPBESRZSA-N 0 3 372.288 2.082 20 30 FEEDHN N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CNCCO3)cc2)cc1 ZINC000415048881 559202300 /nfs/dbraw/zinc/20/23/00/559202300.db2.gz XOSTWHNHEAWFRJ-SFHVURJKSA-N 0 3 352.394 2.460 20 30 FEEDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415494374 559243173 /nfs/dbraw/zinc/24/31/73/559243173.db2.gz IDSBOOZYOQUNFE-LBPRGKRZSA-N 0 3 350.488 2.489 20 30 FEEDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000415506658 559244783 /nfs/dbraw/zinc/24/47/83/559244783.db2.gz SXQNPTZTYHCOAY-IBGZPJMESA-N 0 3 364.449 2.054 20 30 FEEDHN C[C@H](CN)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000415592785 559253589 /nfs/dbraw/zinc/25/35/89/559253589.db2.gz CPTAVDLCTKZDNR-SECBINFHSA-N 0 3 374.388 2.113 20 30 FEEDHN COc1ccc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)cc1OCCCC#N ZINC000418123747 559391097 /nfs/dbraw/zinc/39/10/97/559391097.db2.gz YPNUTKONAKRMAN-SJORKVTESA-N 0 3 361.486 2.265 20 30 FEEDHN N#Cc1cccc([C@H]2CN(C(=O)NC[C@@H](N)c3ccccc3)CCO2)c1 ZINC000418426505 559401110 /nfs/dbraw/zinc/40/11/10/559401110.db2.gz JZOPYGUJFAEDIU-RTBURBONSA-N 0 3 350.422 2.341 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)NCC2(C#N)CCC2)CC1 ZINC000419419878 559441297 /nfs/dbraw/zinc/44/12/97/559441297.db2.gz ZQKVOMUMCBJGTM-UHFFFAOYSA-N 0 3 369.513 2.317 20 30 FEEDHN N#CCC[C@@H](NC(=O)C(=O)N[C@H](CN)C1CCCCC1)c1ccccc1 ZINC000419477977 559444424 /nfs/dbraw/zinc/44/44/24/559444424.db2.gz RZZXVULWFZKWQL-QZTJIDSGSA-N 0 3 356.470 2.171 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419632122 559450540 /nfs/dbraw/zinc/45/05/40/559450540.db2.gz FQBMRMFKPQTHOL-QUCCMNQESA-N 0 3 370.497 2.328 20 30 FEEDHN C=CC1CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420067866 559470988 /nfs/dbraw/zinc/47/09/88/559470988.db2.gz YNJSMJIPSPDJTC-IBGZPJMESA-N 0 3 351.450 2.380 20 30 FEEDHN N#Cc1ccc(CNCCCCN2C(=O)NC3(CCCC3)C2=O)cc1F ZINC000421341037 559539591 /nfs/dbraw/zinc/53/95/91/559539591.db2.gz JRYPAIRYFMQSOJ-UHFFFAOYSA-N 0 3 358.417 2.432 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000422301039 559576967 /nfs/dbraw/zinc/57/69/67/559576967.db2.gz WBAYHCKEJDQNPH-RBUKOAKNSA-N 0 3 369.509 2.423 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000424098483 559654695 /nfs/dbraw/zinc/65/46/95/559654695.db2.gz CVFPZWSFGLDCNC-HUUCEWRRSA-N 0 3 366.259 2.370 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000424131780 559655707 /nfs/dbraw/zinc/65/57/07/559655707.db2.gz VMOMTXCLEPOYDH-CYBMUJFWSA-N 0 3 359.821 2.153 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000424137801 559655965 /nfs/dbraw/zinc/65/59/65/559655965.db2.gz MEPFJFOYKQVCPK-RBUKOAKNSA-N 0 3 364.449 2.374 20 30 FEEDHN COC(=O)c1cc(NC(=O)[C@H](N)CCCC#N)cc(Br)c1F ZINC000424185674 559657089 /nfs/dbraw/zinc/65/70/89/559657089.db2.gz HAXZQNHQADSKRM-LLVKDONJSA-N 0 3 372.194 2.334 20 30 FEEDHN C=CCCn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)nn1 ZINC000424710870 559674319 /nfs/dbraw/zinc/67/43/19/559674319.db2.gz VCEXROYOFJCZJY-SJLPKXTDSA-N 0 3 353.470 2.495 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000425389022 559699515 /nfs/dbraw/zinc/69/95/15/559699515.db2.gz TUJVVXUJLVGEBF-IIBYNOLFSA-N 0 3 368.481 2.022 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)nn1 ZINC000425430209 559702058 /nfs/dbraw/zinc/70/20/58/559702058.db2.gz DPVIDRLMPKLPJL-IBGZPJMESA-N 0 3 368.485 2.318 20 30 FEEDHN N#C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC000425718621 559715981 /nfs/dbraw/zinc/71/59/81/559715981.db2.gz ABKPPXDIISPLRI-IPELMVKDSA-N 0 3 356.470 2.135 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N1CCC(C)CC1 ZINC000425874354 559723669 /nfs/dbraw/zinc/72/36/69/559723669.db2.gz CHXGHZBOEJRGBZ-IRXDYDNUSA-N 0 3 370.497 2.314 20 30 FEEDHN C=CC[C@@H](C)[C@@H](C)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428411766 559775062 /nfs/dbraw/zinc/77/50/62/559775062.db2.gz FWZMKKCBJJTZDD-ZIAGYGMSSA-N 0 3 366.483 2.021 20 30 FEEDHN N#Cc1cnc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c(Cl)c1 ZINC000428551370 559777980 /nfs/dbraw/zinc/77/79/80/559777980.db2.gz SJFIVMQGFQYWLF-OAHLLOKOSA-N 0 3 356.813 2.426 20 30 FEEDHN C=C(C)[C@H](CC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)OCC ZINC000428974349 559787061 /nfs/dbraw/zinc/78/70/61/559787061.db2.gz FGAAKKFVOVWHTM-PZJWPPBQSA-N 0 3 360.498 2.453 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000429777430 559805625 /nfs/dbraw/zinc/80/56/25/559805625.db2.gz XVLVYISXCVPCNU-QZTJIDSGSA-N 0 3 356.470 2.054 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2cscn2)cc1 ZINC000429928010 559808941 /nfs/dbraw/zinc/80/89/41/559808941.db2.gz QXXRMPUNEMCDES-NSHDSACASA-N 0 3 364.452 2.193 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(CO)c2)cc1 ZINC000429947780 559809545 /nfs/dbraw/zinc/80/95/45/559809545.db2.gz PJSHYZUUWPLPFB-CYBMUJFWSA-N 0 3 373.434 2.186 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433062014 559870924 /nfs/dbraw/zinc/87/09/24/559870924.db2.gz RKTLCUFOJXFRIS-AWEZNQCLSA-N 0 3 359.451 2.277 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC000433372925 559878938 /nfs/dbraw/zinc/87/89/38/559878938.db2.gz QLJQKQWWERTOEP-FUHWJXTLSA-N 0 3 356.397 2.454 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000433606003 559884963 /nfs/dbraw/zinc/88/49/63/559884963.db2.gz FHEWKXKHSWMRRB-DZGCQCFKSA-N 0 3 363.424 2.372 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434748315 559908329 /nfs/dbraw/zinc/90/83/29/559908329.db2.gz RKZHOHSMQKIMLE-SAJDGTNDSA-N 0 3 371.529 2.449 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000435687454 559928118 /nfs/dbraw/zinc/92/81/18/559928118.db2.gz GBKWZRYYFZWVOE-HNNXBMFYSA-N 0 3 366.421 2.409 20 30 FEEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000438711719 559982576 /nfs/dbraw/zinc/98/25/76/559982576.db2.gz OCBJHTRMBSPILV-UHFFFAOYSA-N 0 3 368.485 3.006 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440043666 560003722 /nfs/dbraw/zinc/00/37/22/560003722.db2.gz NKDUNXAQDRHNJV-RBSFLKMASA-N 0 3 367.490 2.483 20 30 FEEDHN COc1ccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)c1 ZINC000442643658 560054197 /nfs/dbraw/zinc/05/41/97/560054197.db2.gz GVZUIUSXWFWPIR-MRXNPFEDSA-N 0 3 374.404 2.426 20 30 FEEDHN CN1CCN(CC2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)CC1 ZINC000443532374 560086515 /nfs/dbraw/zinc/08/65/15/560086515.db2.gz RUWASYKCFNSIKF-UHFFFAOYSA-N 0 3 367.419 2.436 20 30 FEEDHN CC1(C)CCCN(CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000445126019 560129385 /nfs/dbraw/zinc/12/93/85/560129385.db2.gz ZTVXHXSHHJEYCT-UHFFFAOYSA-N 0 3 367.457 2.382 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449172746 560219022 /nfs/dbraw/zinc/21/90/22/560219022.db2.gz DDGGNIWFFSWJDT-CYBMUJFWSA-N 0 3 366.259 2.300 20 30 FEEDHN CN(C)C[C@H]1CCCN1C(=O)COc1cccc(Br)c1C#N ZINC000449828913 560241629 /nfs/dbraw/zinc/24/16/29/560241629.db2.gz QREKKAOFGTWHJN-GFCCVEGCSA-N 0 3 366.259 2.252 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)n3C)CC2)C[C@@H](C)O1 ZINC000450067900 560249749 /nfs/dbraw/zinc/24/97/49/560249749.db2.gz QQGPGAFDTNXSIN-HZPDHXFCSA-N 0 3 358.486 2.248 20 30 FEEDHN CC1CCN(C[C@@H](O)CNc2ncc(Br)cc2C#N)CC1 ZINC000450331808 560258945 /nfs/dbraw/zinc/25/89/45/560258945.db2.gz WEOUQHMEFNATTI-AWEZNQCLSA-N 0 3 353.264 2.220 20 30 FEEDHN C[C@H]1[C@H](NC(=O)COc2cccc(Br)c2C#N)CCCN1C ZINC000450547016 560265729 /nfs/dbraw/zinc/26/57/29/560265729.db2.gz LUOTZBZXGVSWRV-SMDDNHRTSA-N 0 3 366.259 2.298 20 30 FEEDHN N#Cc1c(C#N)c(NC[C@H]2CCCN2CCCO)nc2c1CCCCCC2 ZINC000450591520 560267417 /nfs/dbraw/zinc/26/74/17/560267417.db2.gz GHIPFVPMLINZGM-MRXNPFEDSA-N 0 3 367.497 2.743 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3ccc(C)c(C#N)n3)C2)CC1 ZINC000450775246 560272992 /nfs/dbraw/zinc/27/29/92/560272992.db2.gz POCAHUCZHMJOOQ-SFHVURJKSA-N 0 3 355.486 2.032 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000451605837 560316967 /nfs/dbraw/zinc/31/69/67/560316967.db2.gz KOJAKXOPMOOQAF-ZACQAIPSSA-N 0 3 360.454 2.300 20 30 FEEDHN C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000452009140 560345097 /nfs/dbraw/zinc/34/50/97/560345097.db2.gz CBSNUMOTIIUIAW-OAHLLOKOSA-N 0 3 358.552 2.155 20 30 FEEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)C1CCCCC1 ZINC000453598866 560390376 /nfs/dbraw/zinc/39/03/76/560390376.db2.gz MNVLUALAZOFHFH-GOSISDBHSA-N 0 3 356.470 2.318 20 30 FEEDHN CN(C)CCOc1ccc(NC(=O)C(=O)Nc2cccc(CC#N)c2)cc1 ZINC000453707888 560398400 /nfs/dbraw/zinc/39/84/00/560398400.db2.gz JXIWPAXTRSYRPW-UHFFFAOYSA-N 0 3 366.421 2.270 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000453730183 560400074 /nfs/dbraw/zinc/40/00/74/560400074.db2.gz BBZDMPMCUYKMSS-KXBFYZLASA-N 0 3 364.449 2.499 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453920823 560413294 /nfs/dbraw/zinc/41/32/94/560413294.db2.gz RNTQFRZDTXEPGT-OFQRWUPVSA-N 0 3 372.494 2.182 20 30 FEEDHN C=CC[C@H](CC)NC(=O)N1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000454912645 560463248 /nfs/dbraw/zinc/46/32/48/560463248.db2.gz NCFJYKVQMDKIEA-OALUTQOASA-N 0 3 364.534 2.317 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[C@H]2O)cc1 ZINC000455250465 560475566 /nfs/dbraw/zinc/47/55/66/560475566.db2.gz IXJYWJSMBLSFCI-HEHGZKQESA-N 0 3 365.455 2.045 20 30 FEEDHN N#CCc1ccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)c(Cl)c1 ZINC000455735273 560493313 /nfs/dbraw/zinc/49/33/13/560493313.db2.gz QGNVHDRCOZMCDD-CQSZACIVSA-N 0 3 350.850 2.374 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000457481998 560569885 /nfs/dbraw/zinc/56/98/85/560569885.db2.gz KTYUAUNOASSDJC-QRVBRYPASA-N 0 3 359.470 2.475 20 30 FEEDHN CN(CC(C)(C)C#N)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000457653702 560580128 /nfs/dbraw/zinc/58/01/28/560580128.db2.gz OHENVYDXFVHXIA-UHFFFAOYSA-N 0 3 357.502 2.125 20 30 FEEDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc(C)c(C#N)cn2)c1 ZINC000457759344 560586294 /nfs/dbraw/zinc/58/62/94/560586294.db2.gz HNRDPSNBJKADFF-UHFFFAOYSA-N 0 3 352.438 2.474 20 30 FEEDHN CC(C)(CC#N)CNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000458317443 560614726 /nfs/dbraw/zinc/61/47/26/560614726.db2.gz QMZDANMJJYFEDA-UHFFFAOYSA-N 0 3 358.486 2.382 20 30 FEEDHN N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000459006956 560661465 /nfs/dbraw/zinc/66/14/65/560661465.db2.gz JFCGQOYWKONRRN-RNQOJCNYSA-N 0 3 370.497 2.251 20 30 FEEDHN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000459007511 560661585 /nfs/dbraw/zinc/66/15/85/560661585.db2.gz JVVBYSUBYHMIBC-XKGZKEIXSA-N 0 3 356.470 2.005 20 30 FEEDHN C[C@H]1CN(CC2CCN(C(=O)NCC(C)(C)CC#N)CC2)C[C@H](C)O1 ZINC000459251960 560676003 /nfs/dbraw/zinc/67/60/03/560676003.db2.gz BGCDEAPQLZJWQG-HOTGVXAUSA-N 0 3 350.507 2.457 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)Nc2snc(C)c2C#N)CC1 ZINC000459562182 560694492 /nfs/dbraw/zinc/69/44/92/560694492.db2.gz ASABGHILVBGOTQ-UHFFFAOYSA-N 0 3 358.427 2.081 20 30 FEEDHN N#Cc1cccnc1-n1cc(NC(=O)NCCN2CCCCCC2)cn1 ZINC000462094225 560796739 /nfs/dbraw/zinc/79/67/39/560796739.db2.gz WOOUURHHPLPESI-UHFFFAOYSA-N 0 3 353.430 2.136 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000462139728 560798980 /nfs/dbraw/zinc/79/89/80/560798980.db2.gz ZCJVCXZOAJLKEF-HZPDHXFCSA-N 0 3 356.470 2.451 20 30 FEEDHN COCCN1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469377451 560953619 /nfs/dbraw/zinc/95/36/19/560953619.db2.gz QZNHQDCYMMGUSP-MRXNPFEDSA-N 0 3 354.454 2.396 20 30 FEEDHN CC(C#N)C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000469742872 560963499 /nfs/dbraw/zinc/96/34/99/560963499.db2.gz RAVHXWFBLXKJGL-GFCCVEGCSA-N 0 3 359.407 2.053 20 30 FEEDHN O=C(NCC(F)(F)F)[C@@H]1CCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC000469780332 560964444 /nfs/dbraw/zinc/96/44/44/560964444.db2.gz NOQFBVUTVVAEQM-MRVPVSSYSA-N 0 3 372.256 2.201 20 30 FEEDHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470944798 560994892 /nfs/dbraw/zinc/99/48/92/560994892.db2.gz LAWSKNGUAKFLCW-QRVBRYPASA-N 0 3 366.465 2.440 20 30 FEEDHN COC(=O)c1cccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000471095324 560998147 /nfs/dbraw/zinc/99/81/47/560998147.db2.gz LWOXYPOUWIDLJR-LJQANCHMSA-N 0 3 361.401 2.386 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(Cc3cscn3)CC2)cc1 ZINC000471866012 561013322 /nfs/dbraw/zinc/01/33/22/561013322.db2.gz PEJAIMALKZZIOI-KRWDZBQOSA-N 0 3 365.462 2.041 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCN(CCC)C(=O)C1)C(C)C ZINC000472093917 561017782 /nfs/dbraw/zinc/01/77/82/561017782.db2.gz JVTPTHURAFNMNK-SFHVURJKSA-N 0 3 364.534 2.339 20 30 FEEDHN CC(=O)N[C@@H](C)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472595126 561030479 /nfs/dbraw/zinc/03/04/79/561030479.db2.gz GFOBCFHIRNUUGT-IFXJQAMLSA-N 0 3 352.438 2.004 20 30 FEEDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528366805 562325187 /nfs/dbraw/zinc/32/51/87/562325187.db2.gz PSKBGDXCWCJYBE-QXAKKESOSA-N 0 3 373.497 2.315 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000528420964 562328311 /nfs/dbraw/zinc/32/83/11/562328311.db2.gz MWGNADUIHSNMOM-IAGOWNOFSA-N 0 3 352.434 2.035 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000528435100 562329128 /nfs/dbraw/zinc/32/91/28/562329128.db2.gz ZADFPKRWTTWPEF-IAGOWNOFSA-N 0 3 367.453 2.173 20 30 FEEDHN COCC[C@@H]1CCCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528454113 562330218 /nfs/dbraw/zinc/33/02/18/562330218.db2.gz SRIQTADURAZQMN-KRWDZBQOSA-N 0 3 354.450 2.425 20 30 FEEDHN Cn1cc([C@@H]2CN(C[C@@H](O)COc3ccccc3C#N)CC2(C)C)cn1 ZINC000528513683 562333425 /nfs/dbraw/zinc/33/34/25/562333425.db2.gz FJMBTOLGZPESMH-MSOLQXFVSA-N 0 3 354.454 2.157 20 30 FEEDHN CCO[C@H]1C[C@@H](NCC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528520951 562333893 /nfs/dbraw/zinc/33/38/93/562333893.db2.gz OVWYKLMLDJQLJC-MSOLQXFVSA-N 0 3 352.434 2.223 20 30 FEEDHN CN1CCN(C[C@H](O)COc2ccccc2C#N)[C@H](Cc2ccccc2)C1 ZINC000528535421 562334881 /nfs/dbraw/zinc/33/48/81/562334881.db2.gz UYIOOQDMRWLBDQ-RTWAWAEBSA-N 0 3 365.477 2.157 20 30 FEEDHN CC1(N2CCOCC2)CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000529910108 562390852 /nfs/dbraw/zinc/39/08/52/562390852.db2.gz REMZAVNWULKAQA-LJQANCHMSA-N 0 3 355.482 2.472 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000530231563 562403019 /nfs/dbraw/zinc/40/30/19/562403019.db2.gz KJMDESFJQDJOMK-HZPDHXFCSA-N 0 3 373.403 2.445 20 30 FEEDHN COc1ccccc1N1CC[C@H](NC[C@@H](O)COc2ccccc2C#N)C1 ZINC000530232844 562403291 /nfs/dbraw/zinc/40/32/91/562403291.db2.gz TTWKAZZFGKKYMX-ZWKOTPCHSA-N 0 3 367.449 2.175 20 30 FEEDHN C=C(C)C[C@@H](NC(=O)c1ccc(N2CCN(CC)CC2)cc1)C(=O)OC ZINC000601786131 567840813 /nfs/dbraw/zinc/84/08/13/567840813.db2.gz PIAZWFNVDSGKEI-GOSISDBHSA-N 0 3 359.470 2.066 20 30 FEEDHN N#CC1(C[C@H](O)CN[C@@H](CO)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000601968061 567889621 /nfs/dbraw/zinc/88/96/21/567889621.db2.gz LJOABJGRHDMFNC-HOTGVXAUSA-N 0 3 372.387 2.400 20 30 FEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000601968556 567889959 /nfs/dbraw/zinc/88/99/59/567889959.db2.gz ORNWRTQURBRNLB-OLMNPRSZSA-N 0 3 366.408 2.456 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000602515509 567986535 /nfs/dbraw/zinc/98/65/35/567986535.db2.gz XDDCYOKZOUBXCF-OAHLLOKOSA-N 0 3 365.499 2.125 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000602538945 567992686 /nfs/dbraw/zinc/99/26/86/567992686.db2.gz FZCCDPVRFUNSSL-UONOGXRCSA-N 0 3 354.397 2.393 20 30 FEEDHN CCOC(=O)c1ccc(N2CC(N[C@@H](C)CC3(C#N)CCOCC3)C2)nc1 ZINC000602608323 567997319 /nfs/dbraw/zinc/99/73/19/567997319.db2.gz MEUQTOVEYPGRIZ-HNNXBMFYSA-N 0 3 372.469 2.135 20 30 FEEDHN C[C@@H]1CN(CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)N1CC#N ZINC000602849391 568001022 /nfs/dbraw/zinc/00/10/22/568001022.db2.gz LAZCYVACKSJYSM-WOJBJXKFSA-N 0 3 355.530 2.117 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000602722081 568023153 /nfs/dbraw/zinc/02/31/53/568023153.db2.gz LZIXBFCYABXRNO-CTNGQTDRSA-N 0 3 370.541 2.491 20 30 FEEDHN CC(C)n1ncc2c1C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000568502212 568039211 /nfs/dbraw/zinc/03/92/11/568039211.db2.gz HWSBYPBAEURBGD-KRWDZBQOSA-N 0 3 372.494 2.256 20 30 FEEDHN Cn1cc([C@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1 ZINC000568468362 568041477 /nfs/dbraw/zinc/04/14/77/568041477.db2.gz VYEUQALHOKRWCE-PKOBYXMFSA-N 0 3 354.454 2.157 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000604392384 568282784 /nfs/dbraw/zinc/28/27/84/568282784.db2.gz UNCNQFWYLQCNGF-KRWDZBQOSA-N 0 3 355.482 2.095 20 30 FEEDHN CCCCNC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000604522124 568305144 /nfs/dbraw/zinc/30/51/44/568305144.db2.gz PPCSUGZUBPJMGB-RBUKOAKNSA-N 0 3 373.497 2.121 20 30 FEEDHN N#Cc1ccc(CN[C@@H](CC(N)=O)C2CCOCC2)c(Br)c1 ZINC000181980570 568328866 /nfs/dbraw/zinc/32/88/66/568328866.db2.gz LVYFLVHGJOUHQU-HNNXBMFYSA-N 0 3 366.259 2.081 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000556818671 674422220 /nfs/dbraw/zinc/42/22/20/674422220.db2.gz JFXZUYRKIMWCOE-BBRMVZONSA-N 0 3 351.447 2.086 20 30 FEEDHN CC[NH+](CC)CC#C[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821182535 607322629 /nfs/dbraw/zinc/32/26/29/607322629.db2.gz WCOJQSQLVXPAGS-RDRICISKSA-N 0 3 353.426 2.157 20 30 FEEDHN CC[NH+](CC)CC#C[C@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821182534 607322642 /nfs/dbraw/zinc/32/26/42/607322642.db2.gz WCOJQSQLVXPAGS-LLNWESEBSA-N 0 3 353.426 2.157 20 30 FEEDHN C=CC[NH+]1CCC(Nc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000819750989 599540888 /nfs/dbraw/zinc/54/08/88/599540888.db2.gz LJOSSZLMYJBAFE-UHFFFAOYSA-N 0 3 371.395 2.177 20 30 FEEDHN C=CC[NH+]1CCC(Nc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000819750989 599540891 /nfs/dbraw/zinc/54/08/91/599540891.db2.gz LJOSSZLMYJBAFE-UHFFFAOYSA-N 0 3 371.395 2.177 20 30 FEEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000821586211 607114072 /nfs/dbraw/zinc/11/40/72/607114072.db2.gz OECXUNPJULHYRZ-UHFFFAOYSA-N 0 3 365.416 2.446 20 30 FEEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000821586211 607114073 /nfs/dbraw/zinc/11/40/73/607114073.db2.gz OECXUNPJULHYRZ-UHFFFAOYSA-N 0 3 365.416 2.446 20 30 FEEDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000564357434 675000461 /nfs/dbraw/zinc/00/04/61/675000461.db2.gz QHOGCKHYZVQSNE-NSHDSACASA-N 0 3 374.304 2.328 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H](CO)CC2CCCCC2)c1 ZINC000564977793 675084147 /nfs/dbraw/zinc/08/41/47/675084147.db2.gz ZLSFFBKFRSQUNB-QGZVFWFLSA-N 0 3 350.484 2.253 20 30 FEEDHN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000580659936 671823405 /nfs/dbraw/zinc/82/34/05/671823405.db2.gz LZHYVQHJKTTZDQ-CQSZACIVSA-N 0 3 353.463 2.237 20 30 FEEDHN Cc1cccc(NC(=[NH2+])NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000130678135 672078071 /nfs/dbraw/zinc/07/80/71/672078071.db2.gz ODMVPQVPGVJUAN-UHFFFAOYSA-N 0 3 372.903 2.415 20 30 FEEDHN N#CC1(CS(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000584689346 672205947 /nfs/dbraw/zinc/20/59/47/672205947.db2.gz JDPQNJTVGCDCGV-ZWKOTPCHSA-N 0 3 359.495 2.074 20 30 FEEDHN C=CCc1cc(CN2CCC(NS(=O)(=O)CC)CC2)c(O)c(OC)c1 ZINC000178856361 672395877 /nfs/dbraw/zinc/39/58/77/672395877.db2.gz IYOUHSINQPAIHX-UHFFFAOYSA-N 0 3 368.499 2.033 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)CC1 ZINC000182518976 672446608 /nfs/dbraw/zinc/44/66/08/672446608.db2.gz IKKOXMOKVWKWQZ-INIZCTEOSA-N 0 3 351.491 2.212 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000591241519 672661268 /nfs/dbraw/zinc/66/12/68/672661268.db2.gz XNLKJFUFMFSYLN-QGZVFWFLSA-N 0 3 355.404 2.386 20 30 FEEDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1c(C#N)cnc2c(Cl)cccc21 ZINC000591984336 672729041 /nfs/dbraw/zinc/72/90/41/672729041.db2.gz DZPMMHRSALQEIO-GFCCVEGCSA-N 0 3 357.845 2.316 20 30 FEEDHN N#CC[C@@]1(O)CCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000592152554 672764842 /nfs/dbraw/zinc/76/48/42/672764842.db2.gz ZTEMPVLWUSLMSK-OAHLLOKOSA-N 0 3 352.232 2.128 20 30 FEEDHN COCCNC(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000594429293 673070747 /nfs/dbraw/zinc/07/07/47/673070747.db2.gz SGJDYFFQZQRXDR-HNNXBMFYSA-N 0 3 366.849 2.066 20 30 FEEDHN COc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1Br ZINC000594439832 673071878 /nfs/dbraw/zinc/07/18/78/673071878.db2.gz RCNJJDFKPATRHC-ZDUSSCGKSA-N 0 3 354.248 2.485 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000595256910 673214569 /nfs/dbraw/zinc/21/45/69/673214569.db2.gz FFZQOBBNHICSQA-CABCVRRESA-N 0 3 366.259 2.370 20 30 FEEDHN COC(=O)N(C)CCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000729889192 673251739 /nfs/dbraw/zinc/25/17/39/673251739.db2.gz LOWDWRYTXMJNSE-CYBMUJFWSA-N 0 3 351.790 2.466 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595516178 673260015 /nfs/dbraw/zinc/26/00/15/673260015.db2.gz OULGITHILMQXEA-UHFFFAOYSA-N 0 3 359.499 2.102 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)CC1 ZINC000730125063 673263426 /nfs/dbraw/zinc/26/34/26/673263426.db2.gz KYNJFKKRLSOPKC-UHFFFAOYSA-N 0 3 366.487 2.138 20 30 FEEDHN Cn1cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)c(=O)[nH]c1=O ZINC000613392322 676127419 /nfs/dbraw/zinc/12/74/19/676127419.db2.gz NSELKGFGLXNVCF-NSHDSACASA-N 0 3 352.375 2.099 20 30 FEEDHN CCNc1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1 ZINC000596972935 673431581 /nfs/dbraw/zinc/43/15/81/673431581.db2.gz HLUZVAUMSFMCOF-UHFFFAOYSA-N 0 3 357.483 2.651 20 30 FEEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1C#N ZINC000597273153 673461790 /nfs/dbraw/zinc/46/17/90/673461790.db2.gz GIIJKRRBXBFKOA-KGLIPLIRSA-N 0 3 353.300 2.352 20 30 FEEDHN CCN1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000741451728 673687613 /nfs/dbraw/zinc/68/76/13/673687613.db2.gz NPRQVEOEYQGQJX-LLVKDONJSA-N 0 3 374.304 2.445 20 30 FEEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nnn1C ZINC000744027136 673779829 /nfs/dbraw/zinc/77/98/29/673779829.db2.gz JMWINWAQUUHYMM-NSHDSACASA-N 0 3 365.365 2.399 20 30 FEEDHN CN1CCO[C@H]([C@@H](NC[C@H](O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000600731622 673795063 /nfs/dbraw/zinc/79/50/63/673795063.db2.gz NJKHNSGXNPPGMB-SQNIBIBYSA-N 0 3 363.889 2.356 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000601405594 673856752 /nfs/dbraw/zinc/85/67/52/673856752.db2.gz XDVWXQYHGAVDGX-UHFFFAOYSA-N 0 3 351.447 2.159 20 30 FEEDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000601419946 673859396 /nfs/dbraw/zinc/85/93/96/673859396.db2.gz BFQJSTDFWICIML-GWCFXTLKSA-N 0 3 372.288 2.034 20 30 FEEDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000601422577 673860070 /nfs/dbraw/zinc/86/00/70/673860070.db2.gz SWPIZEYKFQXVBI-YGRLFVJLSA-N 0 3 361.389 2.290 20 30 FEEDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000747106756 673907272 /nfs/dbraw/zinc/90/72/72/673907272.db2.gz YSJNTSRHYXEJGE-GXTWGEPZSA-N 0 3 351.447 2.257 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000818595691 675227252 /nfs/dbraw/zinc/22/72/52/675227252.db2.gz KBUNUGQUABJMCA-GFCCVEGCSA-N 0 3 370.280 2.183 20 30 FEEDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000615293355 676211056 /nfs/dbraw/zinc/21/10/56/676211056.db2.gz VRZQLMLABJAIGF-CHWSQXEVSA-N 0 3 361.389 2.338 20 30 FEEDHN CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCCN(C)C1 ZINC000819313668 675280355 /nfs/dbraw/zinc/28/03/55/675280355.db2.gz JKNLTSCNTCPMME-GJZGRUSLSA-N 0 3 352.479 2.126 20 30 FEEDHN COc1ccc(CNCCn2cc(Br)ccc2=O)cc1C#N ZINC000824542781 675609613 /nfs/dbraw/zinc/60/96/13/675609613.db2.gz AYWFGLQGQYMEIQ-UHFFFAOYSA-N 0 3 362.227 2.281 20 30 FEEDHN N#CCc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000619492384 676380996 /nfs/dbraw/zinc/38/09/96/676380996.db2.gz MQTCMELUYWUDKS-LPHOPBHVSA-N 0 3 359.495 2.390 20 30 FEEDHN O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1CN2CCN1CCC2 ZINC000677854063 679701143 /nfs/dbraw/zinc/70/11/43/679701143.db2.gz SKBDPNRGGCZJAL-IBGZPJMESA-N 0 3 351.475 2.476 20 30 FEEDHN CC(=O)N1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H](C)C1 ZINC000763634908 680788244 /nfs/dbraw/zinc/78/82/44/680788244.db2.gz JCKPNDOKDLPZJJ-OCCSQVGLSA-N 0 3 356.451 2.025 20 30 FEEDHN C[C@H](C(=O)N(C)CCC#N)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747842498 679906671 /nfs/dbraw/zinc/90/66/71/679906671.db2.gz GCPWXEPMTRJRFV-CQSZACIVSA-N 0 3 354.495 2.230 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCOC2CCC2)CC1(C)C ZINC000974586021 679960765 /nfs/dbraw/zinc/96/07/65/679960765.db2.gz CHJWOUWWXRIIME-FGTMMUONSA-N 0 3 350.503 2.363 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCOC2CCC2)CC1(C)C ZINC000977326086 680160506 /nfs/dbraw/zinc/16/05/06/680160506.db2.gz KVLVQKJICLKZCA-KSZLIROESA-N 0 3 350.503 2.363 20 30 FEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001022225061 680203869 /nfs/dbraw/zinc/20/38/69/680203869.db2.gz VCVDWDKBVIZYLB-YYIAUSFCSA-N 0 3 350.846 2.132 20 30 FEEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1 ZINC000999754159 680412359 /nfs/dbraw/zinc/41/23/59/680412359.db2.gz YDRBBYVEHVIBDO-XTENKEOPSA-N 0 3 357.479 2.124 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1ccccc1OC(F)(F)F ZINC000836359059 680457282 /nfs/dbraw/zinc/45/72/82/680457282.db2.gz RPBXJQSXPGVWPY-UHFFFAOYSA-N 0 3 357.376 2.382 20 30 FEEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001039135156 680462067 /nfs/dbraw/zinc/46/20/67/680462067.db2.gz DWEDQNVYRRLPNT-BPQIPLTHSA-N 0 3 369.937 2.019 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(OC)c(OC)c1Cl ZINC000836475256 680474518 /nfs/dbraw/zinc/47/45/18/680474518.db2.gz YZTBZZZKRCCAEM-UHFFFAOYSA-N 0 3 367.877 2.154 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(CCOC2CCC2)CC1 ZINC001006123431 680593990 /nfs/dbraw/zinc/59/39/90/680593990.db2.gz NJVPBMQVFFNDJQ-OALUTQOASA-N 0 3 350.503 2.460 20 30 FEEDHN Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2nc[nH]c2C)c1C#N ZINC001045552059 680634030 /nfs/dbraw/zinc/63/40/30/680634030.db2.gz NMNVLOCKXXCONG-ZIAGYGMSSA-N 0 3 358.471 2.437 20 30 FEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001047468076 680664378 /nfs/dbraw/zinc/66/43/78/680664378.db2.gz SPSYQCOWLCSLDR-MVJTYMMSSA-N 0 3 350.409 2.148 20 30 FEEDHN CCC1(CC)NC(=O)N(CC(=O)C(C#N)c2nc(C3CC3)cs2)C1=O ZINC000842939565 680976476 /nfs/dbraw/zinc/97/64/76/680976476.db2.gz QYHNLMCWDPGCIX-NSHDSACASA-N 0 3 360.439 2.307 20 30 FEEDHN C[C@H](C[C@H](O)c1cccs1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843108121 680988116 /nfs/dbraw/zinc/98/81/16/680988116.db2.gz RROUSJWMVNHXHK-CJNGLKHVSA-N 0 3 364.492 2.495 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000771664895 681065412 /nfs/dbraw/zinc/06/54/12/681065412.db2.gz YZLLXYVBNGUGMU-KRWDZBQOSA-N 0 3 354.539 2.490 20 30 FEEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CCN(C)CCO ZINC000912606611 685405897 /nfs/dbraw/zinc/40/58/97/685405897.db2.gz TXPMQQQYFDLCRR-UHFFFAOYSA-N 0 3 360.376 2.266 20 30 FEEDHN C=CCN1CC[C@H](N[C@@](C)(CO)Cc2ccc(Br)cc2)C1=O ZINC000933443812 681413602 /nfs/dbraw/zinc/41/36/02/681413602.db2.gz ZMSWJCAZYFCENU-DOTOQJQBSA-N 0 3 367.287 2.119 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3sc(C)nc3C)C[C@H]21 ZINC000959949797 682013160 /nfs/dbraw/zinc/01/31/60/682013160.db2.gz YNNVZGBKJPDOPW-LFRCEIEQSA-N 0 3 361.511 2.288 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)Cc3csc(C#N)c3)C2)CC1 ZINC000915199482 685513012 /nfs/dbraw/zinc/51/30/12/685513012.db2.gz MRRLMFPYGZSGHZ-UHFFFAOYSA-N 0 3 353.513 2.257 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000916870937 685528399 /nfs/dbraw/zinc/52/83/99/685528399.db2.gz OOXSIJUUHLEKLK-BVIKNXMNSA-N 0 3 352.475 2.325 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000916891919 685528480 /nfs/dbraw/zinc/52/84/80/685528480.db2.gz YAXWAMQAHUKPRE-GFCCVEGCSA-N 0 3 360.357 2.269 20 30 FEEDHN CCN(CC)C(=O)CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917061765 685529418 /nfs/dbraw/zinc/52/94/18/685529418.db2.gz CITGMDVLNFSGBP-ZDUSSCGKSA-N 0 3 358.467 2.273 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000852126473 682224340 /nfs/dbraw/zinc/22/43/40/682224340.db2.gz BYLYWBKVQZXBCN-AWEZNQCLSA-N 0 3 354.495 2.191 20 30 FEEDHN N#CC(C(=O)CCn1cc(Br)cn1)C(=O)NC1CCCCC1 ZINC000917424236 685532081 /nfs/dbraw/zinc/53/20/81/685532081.db2.gz HJMURIKIBARGEA-ZDUSSCGKSA-N 0 3 367.247 2.193 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000854664567 682577040 /nfs/dbraw/zinc/57/70/40/682577040.db2.gz WYBUVPUTZYJYCQ-UHFFFAOYSA-N 0 3 355.280 2.086 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000793446108 682889742 /nfs/dbraw/zinc/88/97/42/682889742.db2.gz TZSXQDGHAQAKDE-OAHLLOKOSA-N 0 3 351.491 2.399 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CC(C)(C)OC1=O ZINC000795717330 683084014 /nfs/dbraw/zinc/08/40/14/683084014.db2.gz KJQYDXTXFHRYQN-YPMHNXCESA-N 0 3 357.435 2.498 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cn2c(n1)COCC2 ZINC000860474349 683248799 /nfs/dbraw/zinc/24/87/99/683248799.db2.gz YZQYQLVTXNWDKK-SNVBAGLBSA-N 0 3 362.748 2.167 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CNC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000921925825 683616324 /nfs/dbraw/zinc/61/63/24/683616324.db2.gz SZEBIAVZLPHHLH-OAHLLOKOSA-N 0 3 364.492 2.161 20 30 FEEDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000865149688 683942497 /nfs/dbraw/zinc/94/24/97/683942497.db2.gz LPWIQFOJCMJLLC-AWEZNQCLSA-N 0 3 350.394 2.091 20 30 FEEDHN C#CCN(C(=O)NCc1ncc(Br)s1)C1CCN(C)CC1 ZINC000923946265 684373537 /nfs/dbraw/zinc/37/35/37/684373537.db2.gz MSTRLOVBNHCXHD-UHFFFAOYSA-N 0 3 371.304 2.145 20 30 FEEDHN CN1Cc2ccccc2[C@H]1CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000872236255 684930511 /nfs/dbraw/zinc/93/05/11/684930511.db2.gz PEXTVHJENQDJBQ-LJQANCHMSA-N 0 3 355.463 2.108 20 30 FEEDHN CC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@H](O)c1ccccc1 ZINC000872250392 684932499 /nfs/dbraw/zinc/93/24/99/684932499.db2.gz HRIRFODRBNYJPE-RBUKOAKNSA-N 0 3 358.463 2.434 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC)CC ZINC000876557254 686219317 /nfs/dbraw/zinc/21/93/17/686219317.db2.gz DCIUSCHQJAKQML-CVEARBPZSA-N 0 3 351.878 2.052 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000876605490 686227033 /nfs/dbraw/zinc/22/70/33/686227033.db2.gz VMOGEEZDROZDQQ-KRWDZBQOSA-N 0 3 363.889 2.196 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000876615618 686229178 /nfs/dbraw/zinc/22/91/78/686229178.db2.gz JGVXMAFZAFWBAH-OAHLLOKOSA-N 0 3 370.280 2.484 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000876693495 686245440 /nfs/dbraw/zinc/24/54/40/686245440.db2.gz WISLUPKXNHTTKI-ZBFHGGJFSA-N 0 3 352.862 2.496 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000876894213 686289222 /nfs/dbraw/zinc/28/92/22/686289222.db2.gz MFWODAJAFPRGLP-STQMWFEESA-N 0 3 360.216 2.171 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC2(CO)CCCCCCC2)cc1 ZINC000879496730 686837912 /nfs/dbraw/zinc/83/79/12/686837912.db2.gz KTCKYUILGGHXSS-UHFFFAOYSA-N 0 3 350.484 2.397 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](N)c2ccc(Br)cc2)CC1 ZINC000884214312 687820776 /nfs/dbraw/zinc/82/07/76/687820776.db2.gz YVQBSFXFBACBLK-OAHLLOKOSA-N 0 3 352.276 2.216 20 30 FEEDHN COc1cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)ccc1OC(F)F ZINC000884415211 687866509 /nfs/dbraw/zinc/86/65/09/687866509.db2.gz NVYURIFKFJIEMQ-VVHFOWEKSA-N 0 3 351.353 2.374 20 30 FEEDHN C=C(C)COc1cc(CNCC2(S(=O)(=O)N(C)C)CC2)ccc1OC ZINC000886322066 688231626 /nfs/dbraw/zinc/23/16/26/688231626.db2.gz KQRCUDOBFGQIAP-UHFFFAOYSA-N 0 3 368.499 2.164 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000892463876 689199831 /nfs/dbraw/zinc/19/98/31/689199831.db2.gz VCKWHNRANFLBHI-HOTGVXAUSA-N 0 3 350.459 2.366 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC000892466053 689200193 /nfs/dbraw/zinc/20/01/93/689200193.db2.gz XDJAKMPJSMOHEC-CVEARBPZSA-N 0 3 350.459 2.368 20 30 FEEDHN N#CC(C(=O)C[C@H]1CCNC1=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892496973 689203992 /nfs/dbraw/zinc/20/39/92/689203992.db2.gz UGLPFLGSKLYJBN-PSASIEDQSA-N 0 3 354.193 2.167 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CNCc1cc2cc(Br)ccc2o1 ZINC000905419562 691116423 /nfs/dbraw/zinc/11/64/23/691116423.db2.gz OEBZBFSIIKWTQT-AWEZNQCLSA-N 0 3 366.259 2.491 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906592892 691289170 /nfs/dbraw/zinc/28/91/70/691289170.db2.gz PIUSKCAAGVMWLN-UHFFFAOYSA-N 0 3 363.259 2.477 20 30 FEEDHN C=C(CCN(C)C)C(=O)N[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000907955834 691589639 /nfs/dbraw/zinc/58/96/39/691589639.db2.gz ZWGBZZAKEZEHCT-WBVHZDCISA-N 0 3 352.500 2.093 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(F)(F)c1ncccc1Br ZINC000908437508 691678893 /nfs/dbraw/zinc/67/88/93/691678893.db2.gz PKOGMZUPMJEJLE-UHFFFAOYSA-N 0 3 360.202 2.007 20 30 FEEDHN N#Cc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164870870 721054628 /nfs/dbraw/zinc/05/46/28/721054628.db2.gz WZIHLMPZWWJYTI-HOTGVXAUSA-N 0 3 369.856 2.481 20 30 FEEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000498758895 885703201 /nfs/dbraw/zinc/70/32/01/885703201.db2.gz GQJCZOBOXQYPBF-CYBMUJFWSA-N 0 3 356.405 2.441 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCOC(F)F ZINC000549204787 674024569 /nfs/dbraw/zinc/02/45/69/674024569.db2.gz NEANKVIOSQEDIS-UHFFFAOYSA-N 0 3 354.401 2.261 20 30 FEEDHN COC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532474 539884227 /nfs/dbraw/zinc/88/42/27/539884227.db2.gz ILWCHXDVNZECDF-KBXCAEBGSA-N 0 3 354.406 2.435 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000041732503 540030880 /nfs/dbraw/zinc/03/08/80/540030880.db2.gz PWKUONSXLPQDHI-UHFFFAOYSA-N 0 3 362.433 2.061 20 30 FEEDHN CC1CCN(CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000046370672 540253806 /nfs/dbraw/zinc/25/38/06/540253806.db2.gz OMEIKLOQYATOJH-UHFFFAOYSA-N 0 3 369.513 2.117 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(c2nnc3n2CCC3)CC1 ZINC000047258494 540298646 /nfs/dbraw/zinc/29/86/46/540298646.db2.gz BBLBCFYZMRCBHP-UHFFFAOYSA-N 0 3 370.482 2.366 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1 ZINC000050473546 540406807 /nfs/dbraw/zinc/40/68/07/540406807.db2.gz FAKCPXKRVTVISG-UHFFFAOYSA-N 0 3 353.466 2.483 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000054286796 540581061 /nfs/dbraw/zinc/58/10/61/540581061.db2.gz ULANWCGWGMEQSE-AWEZNQCLSA-N 0 3 372.513 2.423 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000054286796 540581064 /nfs/dbraw/zinc/58/10/64/540581064.db2.gz ULANWCGWGMEQSE-AWEZNQCLSA-N 0 3 372.513 2.423 20 30 FEEDHN C[C@@H](OC[C@@H]1CCCO1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000066022933 541278335 /nfs/dbraw/zinc/27/83/35/541278335.db2.gz FKWWGEXKGVKJKT-APWZRJJASA-N 0 3 359.470 2.033 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccnc1-n1cncn1)C(C)C ZINC000066669277 541357115 /nfs/dbraw/zinc/35/71/15/541357115.db2.gz OSHWRZOUBBQMNB-QGZVFWFLSA-N 0 3 369.473 2.482 20 30 FEEDHN CCS(=O)(=O)NCCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000066875684 541384962 /nfs/dbraw/zinc/38/49/62/541384962.db2.gz RKFXPRLTDNAVJU-UHFFFAOYSA-N 0 3 373.478 2.166 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000068140366 541554976 /nfs/dbraw/zinc/55/49/76/541554976.db2.gz ONGFYXUGECEDEJ-UHFFFAOYSA-N 0 3 372.856 2.394 20 30 FEEDHN CN(C(=O)NC1CCN(CC#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074878002 542133390 /nfs/dbraw/zinc/13/33/90/542133390.db2.gz HDYDUDLYLYSYFX-FQEVSTJZSA-N 0 3 369.513 2.280 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2N(C)C)CC1 ZINC000076512928 542288517 /nfs/dbraw/zinc/28/85/17/542288517.db2.gz VYXPCEMIOZKSGJ-UHFFFAOYSA-N 0 3 364.877 2.111 20 30 FEEDHN C[C@@H]1CN(Cc2ccc(C(=O)NC3(C#N)CCN(C)CC3)cc2)C[C@H](C)O1 ZINC000077039780 542342915 /nfs/dbraw/zinc/34/29/15/542342915.db2.gz FFEOGHXSEVEJNS-CALCHBBNSA-N 0 3 370.497 2.014 20 30 FEEDHN CC(C)N1CC[C@@H](NCC(=O)NCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000801956574 674156694 /nfs/dbraw/zinc/15/66/94/674156694.db2.gz POZFYEFQDSGGED-SJLPKXTDSA-N 0 3 350.413 2.108 20 30 FEEDHN C=CCOCCCC(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000079894332 542548648 /nfs/dbraw/zinc/54/86/48/542548648.db2.gz GDZGKIDEJPCSTF-QGZVFWFLSA-N 0 3 359.470 2.305 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)NC2CCN(CC#N)CC2)CCN1Cc1ccccc1 ZINC000080122536 542567410 /nfs/dbraw/zinc/56/74/10/542567410.db2.gz NPSUCKMPMSUIGM-FXAWDEMLSA-N 0 3 369.513 2.327 20 30 FEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000080432896 542589004 /nfs/dbraw/zinc/58/90/04/542589004.db2.gz IEBXXJUUDBBWFB-SFHVURJKSA-N 0 3 374.504 2.244 20 30 FEEDHN COCCN(C)CC[C@H](NC(=O)c1cc(C#N)cn1C)c1ccccc1 ZINC000081155232 542636716 /nfs/dbraw/zinc/63/67/16/542636716.db2.gz BJZCMZSQRLGSBP-SFHVURJKSA-N 0 3 354.454 2.336 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000081366533 542651627 /nfs/dbraw/zinc/65/16/27/542651627.db2.gz PNCSKAGKQCRMEK-LSDHHAIUSA-N 0 3 374.510 2.287 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1Cl ZINC000096997891 543001761 /nfs/dbraw/zinc/00/17/61/543001761.db2.gz OVIKUWUPCGICFJ-UHFFFAOYSA-N 0 3 353.875 2.461 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000103156840 543095526 /nfs/dbraw/zinc/09/55/26/543095526.db2.gz VCNWYQQPBYRCEA-ZDUSSCGKSA-N 0 3 353.463 2.486 20 30 FEEDHN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000108406664 543289289 /nfs/dbraw/zinc/28/92/89/543289289.db2.gz LPLFLFMPNLGVFF-LBPRGKRZSA-N 0 3 361.389 2.197 20 30 FEEDHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109404083 543324084 /nfs/dbraw/zinc/32/40/84/543324084.db2.gz DYAGJAWWHOUXRX-HOTGVXAUSA-N 0 3 359.449 2.012 20 30 FEEDHN C[C@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)N(C)CCC#N ZINC000112528641 543450601 /nfs/dbraw/zinc/45/06/01/543450601.db2.gz YONCGRWAPIHHHV-KBPBESRZSA-N 0 3 357.458 2.382 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N(CCN(C)C)C3CCCC3)cc2C1=O ZINC000112916126 543467763 /nfs/dbraw/zinc/46/77/63/543467763.db2.gz OZLNIOGHGAGFQY-UHFFFAOYSA-N 0 3 369.465 2.415 20 30 FEEDHN COc1ccc(CCCN[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115598401 543577450 /nfs/dbraw/zinc/57/74/50/543577450.db2.gz UNXCAIZROKMEMA-LJQANCHMSA-N 0 3 353.422 2.324 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000115678875 543581009 /nfs/dbraw/zinc/58/10/09/543581009.db2.gz GOWMSESGPSFWIK-HNNXBMFYSA-N 0 3 369.473 2.063 20 30 FEEDHN CC1CCC(N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000115723778 543583181 /nfs/dbraw/zinc/58/31/81/543583181.db2.gz GWOFPEIMQZBLDA-UHFFFAOYSA-N 0 3 368.481 2.011 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000116547367 543610292 /nfs/dbraw/zinc/61/02/92/543610292.db2.gz XTYJRHUCNXJNTI-AEFFLSMTSA-N 0 3 364.534 2.410 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000118101891 543645264 /nfs/dbraw/zinc/64/52/64/543645264.db2.gz XWOVQZGXXXFAAB-CJNGLKHVSA-N 0 3 374.510 2.333 20 30 FEEDHN C=CCN(C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000121621664 543697875 /nfs/dbraw/zinc/69/78/75/543697875.db2.gz CEZGZHJJDMRZLS-UHFFFAOYSA-N 0 3 359.879 2.037 20 30 FEEDHN N#CCc1ccc(OC[C@H](O)CN2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000119486345 543668289 /nfs/dbraw/zinc/66/82/89/543668289.db2.gz KOZPKMUYQKFRIN-RBUKOAKNSA-N 0 3 374.481 2.010 20 30 FEEDHN COC(=O)c1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c[nH]1 ZINC000122830358 543725948 /nfs/dbraw/zinc/72/59/48/543725948.db2.gz VPDXFLPWKWLJBL-UHFFFAOYSA-N 0 3 352.438 2.381 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C3CCC(C)(C)CC3)CC2)o1 ZINC000127681996 544007815 /nfs/dbraw/zinc/00/78/15/544007815.db2.gz FEFRZRJRSZASAJ-UHFFFAOYSA-N 0 3 373.501 2.404 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000134907625 544326918 /nfs/dbraw/zinc/32/69/18/544326918.db2.gz JAFGTVRUDKYOKO-INIZCTEOSA-N 0 3 362.470 2.083 20 30 FEEDHN N#CCCn1cc(CNCCn2cc([N+](=O)[O-])cn2)c(-c2ccccc2)n1 ZINC000151277840 544524253 /nfs/dbraw/zinc/52/42/53/544524253.db2.gz HFBGQASTEGQCIY-UHFFFAOYSA-N 0 3 365.397 2.358 20 30 FEEDHN Cn1cc(CN2CCC(Cn3ccnn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180287922 327679473 /nfs/dbraw/zinc/67/94/73/327679473.db2.gz WMXULUHHXYANTQ-UHFFFAOYSA-N 0 3 361.453 2.462 20 30 FEEDHN CC[C@H](NCCOc1ccccc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000183031616 327798335 /nfs/dbraw/zinc/79/83/35/327798335.db2.gz HFDCXVSXWZQGAR-KRWDZBQOSA-N 0 3 359.451 2.325 20 30 FEEDHN Cn1cc(CNCCNC(=O)c2ccc(Br)cc2)cc1C#N ZINC000190844689 328235682 /nfs/dbraw/zinc/23/56/82/328235682.db2.gz NWGSBLNWIKINPA-UHFFFAOYSA-N 0 3 361.243 2.179 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn2ccnc2s1 ZINC000191159741 328252250 /nfs/dbraw/zinc/25/22/50/328252250.db2.gz OYQDKDCWZCUYND-UHFFFAOYSA-N 0 3 353.451 2.471 20 30 FEEDHN COc1cc(CN2CC[C@@H](NCc3cc(C#N)n(C)c3)C2)cc(OC)c1 ZINC000191307028 328259265 /nfs/dbraw/zinc/25/92/65/328259265.db2.gz DCCRZVRKCSGIOJ-QGZVFWFLSA-N 0 3 354.454 2.278 20 30 FEEDHN N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192988070 328350762 /nfs/dbraw/zinc/35/07/62/328350762.db2.gz XHSZCJXUGARDGR-KRWDZBQOSA-N 0 3 355.463 2.359 20 30 FEEDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccnc(C#N)c3)CC2)C[C@H](C)O1 ZINC000193458662 328376845 /nfs/dbraw/zinc/37/68/45/328376845.db2.gz IHUMSYFLAKASKP-HOTGVXAUSA-N 0 3 356.470 2.305 20 30 FEEDHN Cc1n[nH]c(C)c1CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000195141344 328457986 /nfs/dbraw/zinc/45/79/86/328457986.db2.gz VHXXEEAAABDNJF-UHFFFAOYSA-N 0 3 353.470 2.421 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)NCc2cccc(C#N)c2)c1 ZINC000045814259 324588398 /nfs/dbraw/zinc/58/83/98/324588398.db2.gz LYGSPBHJNXFARG-UHFFFAOYSA-N 0 3 352.438 2.498 20 30 FEEDHN COC(=O)[C@@H](NC1CCN(CCOC(C)C)CC1)c1cccc(C#N)c1 ZINC000083032553 325211479 /nfs/dbraw/zinc/21/14/79/325211479.db2.gz JHFDRUSIZSZOPG-IBGZPJMESA-N 0 3 359.470 2.251 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109924258 325680779 /nfs/dbraw/zinc/68/07/79/325680779.db2.gz GAQSGNUDTYMXKD-UHFFFAOYSA-N 0 3 370.497 2.319 20 30 FEEDHN C[C@@H](Oc1cccnc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000117771559 326070236 /nfs/dbraw/zinc/07/02/36/326070236.db2.gz RKHYLFJIACGUPF-MRXNPFEDSA-N 0 3 352.438 2.311 20 30 FEEDHN CCN(C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000118109484 326082151 /nfs/dbraw/zinc/08/21/51/326082151.db2.gz GILLOPXLOQXUIT-UHFFFAOYSA-N 0 3 366.421 2.357 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CC(C)C)C3)CC2)o1 ZINC000119369465 326154265 /nfs/dbraw/zinc/15/42/65/326154265.db2.gz BDSXQPNQSUMQHA-KRWDZBQOSA-N 0 3 373.501 2.261 20 30 FEEDHN CCO[C@H]1C[C@H](O)C12CCN(CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000152706285 326714388 /nfs/dbraw/zinc/71/43/88/326714388.db2.gz PSAWJNZDMXQRFU-ROUUACIJSA-N 0 3 357.454 2.139 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)c1 ZINC000166339845 327081424 /nfs/dbraw/zinc/08/14/24/327081424.db2.gz ADCKNEIJWRTYAV-UHFFFAOYSA-N 0 3 367.409 2.370 20 30 FEEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171114945 327119016 /nfs/dbraw/zinc/11/90/16/327119016.db2.gz HRZJWSWCQHRDAH-UHFFFAOYSA-N 0 3 358.467 2.226 20 30 FEEDHN CC(C)CCn1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1 ZINC000172583477 327209709 /nfs/dbraw/zinc/20/97/09/327209709.db2.gz LMTPBRCDFZLYFX-UHFFFAOYSA-N 0 3 368.485 2.400 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174540770 327333518 /nfs/dbraw/zinc/33/35/18/327333518.db2.gz ZQUYGXUJIURWHF-QGZVFWFLSA-N 0 3 370.497 2.130 20 30 FEEDHN N#Cc1c[nH]c(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000175355578 327388847 /nfs/dbraw/zinc/38/88/47/327388847.db2.gz DIVAVPXZOCMCBX-UHFFFAOYSA-N 0 3 365.481 2.214 20 30 FEEDHN CCN1CCN(CCCNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000264833628 329065870 /nfs/dbraw/zinc/06/58/70/329065870.db2.gz ZYWKBXLIERRIDV-UHFFFAOYSA-N 0 3 372.513 2.251 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000265746629 329156164 /nfs/dbraw/zinc/15/61/64/329156164.db2.gz FIDZVUDPHTUJHR-UHFFFAOYSA-N 0 3 354.454 2.282 20 30 FEEDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1O ZINC000272621158 329798229 /nfs/dbraw/zinc/79/82/29/329798229.db2.gz QXCAVKNXVPTVSU-UHFFFAOYSA-N 0 3 353.422 2.476 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CCN(C)[C@@H](C)C3)CC2)o1 ZINC000276415341 330149863 /nfs/dbraw/zinc/14/98/63/330149863.db2.gz JBHRHMMEJDIWDQ-BBRMVZONSA-N 0 3 359.474 2.012 20 30 FEEDHN CN1CCN(CCC2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000375768281 330248535 /nfs/dbraw/zinc/24/85/35/330248535.db2.gz MUFMNDCAFQYLFG-UHFFFAOYSA-N 0 3 358.461 2.187 20 30 FEEDHN CCC(C)(C)[C@@H]1CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000156922400 545676473 /nfs/dbraw/zinc/67/64/73/545676473.db2.gz LEJOMENLCKOJDL-KRWDZBQOSA-N 0 3 373.501 2.404 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000156937506 545679445 /nfs/dbraw/zinc/67/94/45/545679445.db2.gz HSCWXMLREMIGKS-XLIONFOSSA-N 0 3 373.522 2.281 20 30 FEEDHN CN(C)CCN1CCC(NC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000157448101 545743824 /nfs/dbraw/zinc/74/38/24/545743824.db2.gz IBMAYQQRLMKJGB-LJQANCHMSA-N 0 3 357.502 2.357 20 30 FEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@H]1CCCN1c1cccnn1 ZINC000157932184 545801175 /nfs/dbraw/zinc/80/11/75/545801175.db2.gz CIQTUOYLKDCCPN-QGZVFWFLSA-N 0 3 367.453 2.336 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000171715447 546220065 /nfs/dbraw/zinc/22/00/65/546220065.db2.gz BVPSDNQBKDFQSH-KRWDZBQOSA-N 0 3 361.873 2.460 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000171718553 546220104 /nfs/dbraw/zinc/22/01/04/546220104.db2.gz IMZFFINXGSZXJM-UHFFFAOYSA-N 0 3 355.398 2.161 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(NS(=O)(=O)CCC)cc2)CC1 ZINC000171715164 546220517 /nfs/dbraw/zinc/22/05/17/546220517.db2.gz FSEGXAVNEXERDW-UHFFFAOYSA-N 0 3 365.499 2.219 20 30 FEEDHN C=CCN1CCC(NC(=O)CSCC(=O)Nc2ccc(C)cc2)CC1 ZINC000171726998 546221543 /nfs/dbraw/zinc/22/15/43/546221543.db2.gz PLMNHHMSEOBACG-UHFFFAOYSA-N 0 3 361.511 2.433 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)CC1 ZINC000171724747 546221887 /nfs/dbraw/zinc/22/18/87/546221887.db2.gz GWSDBMMIIHXOLE-SFHVURJKSA-N 0 3 361.461 2.347 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)CC1 ZINC000171726900 546221989 /nfs/dbraw/zinc/22/19/89/546221989.db2.gz QWDCIHMXROLBPT-MRXNPFEDSA-N 0 3 371.481 2.205 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC000171740465 546223101 /nfs/dbraw/zinc/22/31/01/546223101.db2.gz UWDZTOHGCGYWAG-UHFFFAOYSA-N 0 3 370.453 2.108 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC000171739267 546223675 /nfs/dbraw/zinc/22/36/75/546223675.db2.gz CUKAZFJVKPVRFG-MRXNPFEDSA-N 0 3 364.534 2.219 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000171870859 546228931 /nfs/dbraw/zinc/22/89/31/546228931.db2.gz TZPQCQREJYZBEF-MRXNPFEDSA-N 0 3 364.534 2.221 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccnc(-n2cncn2)c1)C(C)C ZINC000171980468 546233123 /nfs/dbraw/zinc/23/31/23/546233123.db2.gz DCHFZOKTMWXYCK-QGZVFWFLSA-N 0 3 354.458 2.091 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000173579012 546283536 /nfs/dbraw/zinc/28/35/36/546283536.db2.gz IOPKQVZQRDMCEE-QGZVFWFLSA-N 0 3 361.873 2.460 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1nc(C)cs1)C(C)C ZINC000175846741 546361420 /nfs/dbraw/zinc/36/14/20/546361420.db2.gz JCPUMLKSZOTJLW-AWEZNQCLSA-N 0 3 350.488 2.205 20 30 FEEDHN CC(C)N1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc(F)cc1C#N)C2 ZINC000176004261 546388717 /nfs/dbraw/zinc/38/87/17/546388717.db2.gz VVYWYPMHLKNQJY-JKSUJKDBSA-N 0 3 358.417 2.110 20 30 FEEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)cn1C ZINC000176043474 546395853 /nfs/dbraw/zinc/39/58/53/546395853.db2.gz XEKYAEWHUZZUDX-SFHVURJKSA-N 0 3 351.454 2.418 20 30 FEEDHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000176898876 546504439 /nfs/dbraw/zinc/50/44/39/546504439.db2.gz OECCIIOYFBSDKX-QGZVFWFLSA-N 0 3 356.470 2.369 20 30 FEEDHN C[C@H](CCNS(=O)(=O)Cc1ccc(C#N)cc1F)N1CCCCC1 ZINC000480695849 561214601 /nfs/dbraw/zinc/21/46/01/561214601.db2.gz URNIPJOFQROINI-CQSZACIVSA-N 0 3 353.463 2.381 20 30 FEEDHN C=CCN(CC=C)C(=O)CN1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177506406 546632483 /nfs/dbraw/zinc/63/24/83/546632483.db2.gz GKOXQIRTWJXSHA-OALUTQOASA-N 0 3 363.546 2.398 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCOC(F)F)cc1 ZINC000481031726 561223413 /nfs/dbraw/zinc/22/34/13/561223413.db2.gz HLURGTKNEYGEGT-SNVBAGLBSA-N 0 3 361.370 2.123 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCSC2)cc1 ZINC000481037376 561223559 /nfs/dbraw/zinc/22/35/59/561223559.db2.gz PFOWNCFQYUUHII-AAEUAGOBSA-N 0 3 353.469 2.342 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)c(F)c1 ZINC000481066213 561224344 /nfs/dbraw/zinc/22/43/44/561224344.db2.gz AVFVVWDLGXUCDP-QGZVFWFLSA-N 0 3 365.474 2.381 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2sc(C)nc2CC(C)C)CC1 ZINC000177893348 546703144 /nfs/dbraw/zinc/70/31/44/546703144.db2.gz GOPQRHJDAXGIFW-UHFFFAOYSA-N 0 3 364.515 2.355 20 30 FEEDHN C=CCN1CCC(N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000177908622 546706021 /nfs/dbraw/zinc/70/60/21/546706021.db2.gz MDBAHTDSDBDSSC-AWEZNQCLSA-N 0 3 352.500 2.400 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000528994121 562355846 /nfs/dbraw/zinc/35/58/46/562355846.db2.gz CEPWWTZLMQNDGT-XPLGWORNSA-N 0 3 350.365 2.349 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000178814932 546854882 /nfs/dbraw/zinc/85/48/82/546854882.db2.gz JGQYDLSPGWGHTP-LLVKDONJSA-N 0 3 356.392 2.300 20 30 FEEDHN C=CC[C@@H](CO)CN[C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481678197 561238496 /nfs/dbraw/zinc/23/84/96/561238496.db2.gz PHERRGJVFIZVTQ-IUODEOHRSA-N 0 3 360.907 2.473 20 30 FEEDHN C[C@@H]1OCC[C@H]1N(CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000483315388 561274026 /nfs/dbraw/zinc/27/40/26/561274026.db2.gz OYDAWPSSFYRJCP-BLLLJJGKSA-N 0 3 351.834 2.012 20 30 FEEDHN N#Cc1ccc(CNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 ZINC000181567476 547337640 /nfs/dbraw/zinc/33/76/40/547337640.db2.gz HBGYRVOCLHFVSF-HXUWFJFHSA-N 0 3 364.449 2.124 20 30 FEEDHN CC[C@@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(OC)cc1 ZINC000181822639 547387225 /nfs/dbraw/zinc/38/72/25/547387225.db2.gz CBUOORHVARGKOP-WOJBJXKFSA-N 0 3 372.513 2.428 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H](CCO)C2CCCCC2)c1 ZINC000183713659 547705690 /nfs/dbraw/zinc/70/56/90/547705690.db2.gz SXBPCABCDRRACH-SFHVURJKSA-N 0 3 350.484 2.253 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000184617732 547855249 /nfs/dbraw/zinc/85/52/49/547855249.db2.gz YSLYOAKYIHAIAY-CVEARBPZSA-N 0 3 359.474 2.125 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184617717 547855289 /nfs/dbraw/zinc/85/52/89/547855289.db2.gz YSLYOAKYIHAIAY-HOTGVXAUSA-N 0 3 359.474 2.125 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCCCN1CCCC[C@H]1C ZINC000185406798 547980745 /nfs/dbraw/zinc/98/07/45/547980745.db2.gz FBVRDBCBKTVCTD-CQSZACIVSA-N 0 3 351.472 2.110 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(OCCCC)nc2)CC1 ZINC000187960688 548268398 /nfs/dbraw/zinc/26/83/98/548268398.db2.gz LCCSNNJCCRMBTM-UHFFFAOYSA-N 0 3 374.485 2.356 20 30 FEEDHN COc1cc([C@H](C#N)NC(=O)C2CCN(C3CC3)CC2)cc(OC)c1OC ZINC000486448318 561347386 /nfs/dbraw/zinc/34/73/86/561347386.db2.gz GPPROJMWLOSPOY-INIZCTEOSA-N 0 3 373.453 2.268 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCN(C)[C@H](C(C)C)C2)c(OC)c1 ZINC000487995896 561380789 /nfs/dbraw/zinc/38/07/89/561380789.db2.gz BFIVFGZIPXPCLE-MOPGFXCFSA-N 0 3 362.514 2.435 20 30 FEEDHN C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCC[C@H](C)C1 ZINC000248393383 549427152 /nfs/dbraw/zinc/42/71/52/549427152.db2.gz LPXCNJZAQVVRME-LSDHHAIUSA-N 0 3 367.457 2.381 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489589207 561414869 /nfs/dbraw/zinc/41/48/69/561414869.db2.gz UJDACQCFHXWURA-MCIONIFRSA-N 0 3 353.463 2.342 20 30 FEEDHN COCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC1 ZINC000490057824 561425477 /nfs/dbraw/zinc/42/54/77/561425477.db2.gz UCSGWQAGWKDZMS-OAHLLOKOSA-N 0 3 351.834 2.278 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000264364690 549994368 /nfs/dbraw/zinc/99/43/68/549994368.db2.gz HOUXVDZBIYSEHP-IBGZPJMESA-N 0 3 370.497 2.127 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000264517281 549997073 /nfs/dbraw/zinc/99/70/73/549997073.db2.gz VMERXKJGVFTGGN-GOSISDBHSA-N 0 3 359.445 2.335 20 30 FEEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264914571 550003358 /nfs/dbraw/zinc/00/33/58/550003358.db2.gz GFMSGXVBYDDPPW-OAQYLSRUSA-N 0 3 368.481 2.031 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC000266113222 550017319 /nfs/dbraw/zinc/01/73/19/550017319.db2.gz NCIWMRURLPMEOL-UHFFFAOYSA-N 0 3 362.861 2.250 20 30 FEEDHN C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000266456238 550020482 /nfs/dbraw/zinc/02/04/82/550020482.db2.gz LAOUSOPCIGCCKD-KBXCAEBGSA-N 0 3 353.426 2.169 20 30 FEEDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000269103176 550155005 /nfs/dbraw/zinc/15/50/05/550155005.db2.gz AKVBBIBNBCDSBW-XJKSGUPXSA-N 0 3 353.875 2.316 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H](O)CCc1ccccc1 ZINC000493073158 561454392 /nfs/dbraw/zinc/45/43/92/561454392.db2.gz XAJLLIAWYYWPEY-OAQYLSRUSA-N 0 3 365.477 2.442 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H]2CCC[C@]2(C)CO)cc1 ZINC000493650097 561457379 /nfs/dbraw/zinc/45/73/79/561457379.db2.gz AYXGGEDUJNBTGU-UYAOXDASSA-N 0 3 359.470 2.473 20 30 FEEDHN CC(C)N1CCN(C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000270849878 550313922 /nfs/dbraw/zinc/31/39/22/550313922.db2.gz GNLGPDDONFHZLC-UHFFFAOYSA-N 0 3 354.498 2.383 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000493836370 561458575 /nfs/dbraw/zinc/45/85/75/561458575.db2.gz POEDATSVLRZJLW-HIFRSBDPSA-N 0 3 363.424 2.229 20 30 FEEDHN CN(C)CCn1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1=O ZINC000271951126 550412929 /nfs/dbraw/zinc/41/29/29/550412929.db2.gz DMTWUOWONVNFDA-UHFFFAOYSA-N 0 3 350.422 2.217 20 30 FEEDHN CC1(C#N)CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000272660584 550463774 /nfs/dbraw/zinc/46/37/74/550463774.db2.gz MVTWHRNGRNYZII-UHFFFAOYSA-N 0 3 370.497 2.479 20 30 FEEDHN C=CCS(=O)(=O)CCNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000272823018 550472217 /nfs/dbraw/zinc/47/22/17/550472217.db2.gz GIBVENMQYLIXNY-UHFFFAOYSA-N 0 3 370.902 2.135 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000272878402 550474802 /nfs/dbraw/zinc/47/48/02/550474802.db2.gz QDHGKCDCWXVDBF-GDBMZVCRSA-N 0 3 352.456 2.496 20 30 FEEDHN C=CCOCCCc1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000273803494 550511742 /nfs/dbraw/zinc/51/17/42/550511742.db2.gz HXGQQJYGJKAITO-UHFFFAOYSA-N 0 3 357.458 2.409 20 30 FEEDHN COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000274138863 550524565 /nfs/dbraw/zinc/52/45/65/550524565.db2.gz WYKSTPROQVHJTC-BZSNNMDCSA-N 0 3 359.495 2.284 20 30 FEEDHN C=C(C)[C@@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000275104266 550570535 /nfs/dbraw/zinc/57/05/35/550570535.db2.gz KKKCLOSXHHRYQN-MRXNPFEDSA-N 0 3 353.413 2.338 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000277402005 550666066 /nfs/dbraw/zinc/66/60/66/550666066.db2.gz FOVNMEJUCCKAER-FQEVSTJZSA-N 0 3 371.550 2.065 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000278573773 550800378 /nfs/dbraw/zinc/80/03/78/550800378.db2.gz JNMYPKHIVNLPTP-OCCSQVGLSA-N 0 3 351.428 2.015 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278841302 550827989 /nfs/dbraw/zinc/82/79/89/550827989.db2.gz RMWNSCSNIZVEMA-XUVXKRRUSA-N 0 3 358.482 2.375 20 30 FEEDHN COC(=O)[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278990375 550843987 /nfs/dbraw/zinc/84/39/87/550843987.db2.gz BGJAYEKBCCVETF-INIZCTEOSA-N 0 3 353.426 2.244 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCN(c3nccs3)CC2)cc1 ZINC000279412137 550887364 /nfs/dbraw/zinc/88/73/64/550887364.db2.gz CCKJOHJMWJEQKF-KRWDZBQOSA-N 0 3 365.462 2.436 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(=O)[nH]c1 ZINC000279571874 550904472 /nfs/dbraw/zinc/90/44/72/550904472.db2.gz SXYFBFKOHXTFGH-UHFFFAOYSA-N 0 3 352.438 2.182 20 30 FEEDHN C[C@@H]1CN(C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000279769118 550927023 /nfs/dbraw/zinc/92/70/23/550927023.db2.gz SMEAKOPLVJXEKJ-MDZRGWNJSA-N 0 3 368.481 2.245 20 30 FEEDHN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280174760 550968036 /nfs/dbraw/zinc/96/80/36/550968036.db2.gz COCBYFRPSDJTLH-IRXDYDNUSA-N 0 3 353.422 2.431 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1cnc2sccc2c1=O)C(C)C ZINC000496013080 561491783 /nfs/dbraw/zinc/49/17/83/561491783.db2.gz GUUDOHBITMZIGX-MRXNPFEDSA-N 0 3 374.510 2.273 20 30 FEEDHN COc1cc(C#N)ccc1OCCN(C)[C@H](CC(N)=O)c1ccccc1 ZINC000280648745 551017310 /nfs/dbraw/zinc/01/73/10/551017310.db2.gz YWUURIPONSKNSI-QGZVFWFLSA-N 0 3 353.422 2.494 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000280897297 551043588 /nfs/dbraw/zinc/04/35/88/551043588.db2.gz FUGVACIYOHUASO-OALUTQOASA-N 0 3 357.498 2.366 20 30 FEEDHN COC(=O)[C@@H]1CC12CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000280899920 551043987 /nfs/dbraw/zinc/04/39/87/551043987.db2.gz MUGNQPPNFSGLBH-IRXDYDNUSA-N 0 3 351.406 2.042 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000280927809 551046466 /nfs/dbraw/zinc/04/64/66/551046466.db2.gz VQIPQJJNBLPFLR-MOPGFXCFSA-N 0 3 364.449 2.005 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000280927817 551046608 /nfs/dbraw/zinc/04/66/08/551046608.db2.gz VQIPQJJNBLPFLR-OALUTQOASA-N 0 3 364.449 2.005 20 30 FEEDHN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281005047 551053750 /nfs/dbraw/zinc/05/37/50/551053750.db2.gz UPPNGRGTJIBCLQ-IRXDYDNUSA-N 0 3 368.437 2.366 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H](C)C3CCN(C)CC3)CC2)o1 ZINC000281067216 551059996 /nfs/dbraw/zinc/05/99/96/551059996.db2.gz DAKJAIXMUMPRTR-AWEZNQCLSA-N 0 3 373.501 2.260 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000281133833 551066967 /nfs/dbraw/zinc/06/69/67/551066967.db2.gz GXWPHPGGEIABRQ-XHSDSOJGSA-N 0 3 365.355 2.402 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000281162834 551069633 /nfs/dbraw/zinc/06/96/33/551069633.db2.gz ZVFNKKJGEJZBOC-IHPCNDPISA-N 0 3 373.497 2.034 20 30 FEEDHN C[C@@](O)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000281763658 551140269 /nfs/dbraw/zinc/14/02/69/551140269.db2.gz YZLYKMGFERJPLR-OXJNMPFZSA-N 0 3 351.381 2.404 20 30 FEEDHN CN(CCOCCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000282316949 551211017 /nfs/dbraw/zinc/21/10/17/551211017.db2.gz HJUGOORGKGZCGM-UHFFFAOYSA-N 0 3 365.499 2.158 20 30 FEEDHN C[C@@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000282556954 551246111 /nfs/dbraw/zinc/24/61/11/551246111.db2.gz FFYZMHPSCXTRFC-GJZGRUSLSA-N 0 3 352.504 2.042 20 30 FEEDHN C=C(C)COc1cc(CNCC2(OCCO)CCOCC2)ccc1OC ZINC000282636308 551254502 /nfs/dbraw/zinc/25/45/02/551254502.db2.gz KBYXRDYHOQVBBR-UHFFFAOYSA-N 0 3 365.470 2.298 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc(C#N)ccn3)CC2)C[C@@H](C)O1 ZINC000283761561 551423416 /nfs/dbraw/zinc/42/34/16/551423416.db2.gz QCKGFJAINSSUCS-HZPDHXFCSA-N 0 3 356.470 2.305 20 30 FEEDHN C=CCOc1ccc(CNCCn2cc(C(=O)OC)nn2)cc1Cl ZINC000283876612 551442399 /nfs/dbraw/zinc/44/23/99/551442399.db2.gz GYZHAWZNNHKEMA-UHFFFAOYSA-N 0 3 350.806 2.073 20 30 FEEDHN C[C@@H](NC(=O)C(=O)N1CCCN(C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000283905919 551447289 /nfs/dbraw/zinc/44/72/89/551447289.db2.gz IGMVGIXISROSGC-MRXNPFEDSA-N 0 3 368.481 2.212 20 30 FEEDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N ZINC000284288640 551515943 /nfs/dbraw/zinc/51/59/43/551515943.db2.gz NTUSEFOYVFMSCK-AFAVFJNCSA-N 0 3 350.413 2.060 20 30 FEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)COc2ccccc2C#N)cc1 ZINC000284461735 551554051 /nfs/dbraw/zinc/55/40/51/551554051.db2.gz TYMHSFLBUAEZHC-GOSISDBHSA-N 0 3 353.422 2.365 20 30 FEEDHN CCCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)[N-][C@@H](C)CC)cc1 ZINC000284486950 551560234 /nfs/dbraw/zinc/56/02/34/551560234.db2.gz SEMSMLPVEIREHT-ZDUSSCGKSA-O 0 3 360.507 2.382 20 30 FEEDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000498368748 561523582 /nfs/dbraw/zinc/52/35/82/561523582.db2.gz CGSHSJLQLFZXFN-ROUUACIJSA-N 0 3 351.454 2.468 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498913563 561537710 /nfs/dbraw/zinc/53/77/10/561537710.db2.gz AFRBAQNFTICGJY-MUKKUYKPSA-N 0 3 358.490 2.304 20 30 FEEDHN CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCCN(C)C1 ZINC000285570019 551776191 /nfs/dbraw/zinc/77/61/91/551776191.db2.gz HPXVVSCBMOQKMI-KRWDZBQOSA-N 0 3 358.461 2.466 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000285751163 551805088 /nfs/dbraw/zinc/80/50/88/551805088.db2.gz YVWUWVWYURYWKT-INIZCTEOSA-N 0 3 374.504 2.365 20 30 FEEDHN N#Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1F ZINC000285875884 551822228 /nfs/dbraw/zinc/82/22/28/551822228.db2.gz WFOPZXWGQNGXSQ-QUCCMNQESA-N 0 3 367.424 2.310 20 30 FEEDHN CC(C)N1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000286229769 551863457 /nfs/dbraw/zinc/86/34/57/551863457.db2.gz UCJBLFYWKQQDOX-KRWDZBQOSA-N 0 3 358.461 2.466 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000286510580 551894599 /nfs/dbraw/zinc/89/45/99/551894599.db2.gz KWMKHCPELQTXHQ-UHFFFAOYSA-N 0 3 363.889 2.455 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000286743365 551921050 /nfs/dbraw/zinc/92/10/50/551921050.db2.gz OOAKFMAROVDLDM-DOMZBBRYSA-N 0 3 353.875 2.459 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000286825120 551929935 /nfs/dbraw/zinc/92/99/35/551929935.db2.gz WUEDJMWENFBKLU-QFBILLFUSA-N 0 3 373.472 2.345 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000286887855 551936807 /nfs/dbraw/zinc/93/68/07/551936807.db2.gz DSBZEXFLQYWEHH-CTNGQTDRSA-N 0 3 370.541 2.194 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000287073852 551960064 /nfs/dbraw/zinc/96/00/64/551960064.db2.gz HZVKMHZTESLOLH-GFCCVEGCSA-N 0 3 372.410 2.127 20 30 FEEDHN C=CCOc1ccc(CNC(=O)NC[C@H](C)CN2CCN(CC)CC2)cc1 ZINC000287217905 551977520 /nfs/dbraw/zinc/97/75/20/551977520.db2.gz VUNMAHLWUWMXTK-SFHVURJKSA-N 0 3 374.529 2.324 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000287492480 552011259 /nfs/dbraw/zinc/01/12/59/552011259.db2.gz VJSPRJOFKLUCGN-MRXNPFEDSA-N 0 3 373.497 2.056 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C(N)=O)c(Cl)n1)C(C)C ZINC000287584309 552021867 /nfs/dbraw/zinc/02/18/67/552021867.db2.gz NSXGGWBIUHYYBB-HNNXBMFYSA-N 0 3 364.877 2.262 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2nc(-c3ccco3)cs2)CC1 ZINC000287747957 552041835 /nfs/dbraw/zinc/04/18/35/552041835.db2.gz SWTHMOBLSKSYQJ-UHFFFAOYSA-N 0 3 360.439 2.108 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000499723326 561557006 /nfs/dbraw/zinc/55/70/06/561557006.db2.gz OTTSSAFUNSOJHW-QGZVFWFLSA-N 0 3 366.469 2.320 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCc3sccc32)CC1 ZINC000288572133 552177482 /nfs/dbraw/zinc/17/74/82/552177482.db2.gz UOCDKDRTXNCEJG-MRXNPFEDSA-N 0 3 361.511 2.398 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289432416 552320932 /nfs/dbraw/zinc/32/09/32/552320932.db2.gz SBWRCBNCMDQVQJ-XVGQJIODSA-N 0 3 364.440 2.308 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N1CCCC[C@H]1C ZINC000500806197 561583103 /nfs/dbraw/zinc/58/31/03/561583103.db2.gz FNFWWENIXIFLTH-KGLIPLIRSA-N 0 3 353.463 2.380 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291123637 552589937 /nfs/dbraw/zinc/58/99/37/552589937.db2.gz VIFRNZRSDIWATE-UHFFFAOYSA-N 0 3 366.421 2.329 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292117290 552695501 /nfs/dbraw/zinc/69/55/01/552695501.db2.gz GHGYSSPWLDCGDY-FQEVSTJZSA-N 0 3 357.454 2.280 20 30 FEEDHN CN(C(=O)CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000292123724 552696075 /nfs/dbraw/zinc/69/60/75/552696075.db2.gz IEVJFLKDXXMCCT-GOSISDBHSA-N 0 3 350.422 2.459 20 30 FEEDHN Cc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)nc(N2CCCC2)n1 ZINC000292542170 552736818 /nfs/dbraw/zinc/73/68/18/552736818.db2.gz LOLHBKJKHSSBTR-SFHVURJKSA-N 0 3 374.448 2.256 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000293932245 552868938 /nfs/dbraw/zinc/86/89/38/552868938.db2.gz HYYOKFMNSBPDRN-UHFFFAOYSA-N 0 3 371.462 2.153 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000501728329 561604092 /nfs/dbraw/zinc/60/40/92/561604092.db2.gz GHAJAFVZUONMTH-HKUYNNGSSA-N 0 3 355.482 2.214 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cccc(C)c1I ZINC000294036427 552877022 /nfs/dbraw/zinc/87/70/22/552877022.db2.gz RZBZHGKDGFGWEV-UHFFFAOYSA-N 0 3 370.234 2.285 20 30 FEEDHN C#CCNC(=O)CCN(CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000294154261 552885959 /nfs/dbraw/zinc/88/59/59/552885959.db2.gz PAYLNGIQSZTQLR-UHFFFAOYSA-N 0 3 351.450 2.274 20 30 FEEDHN N#Cc1cnc(NCc2ccccc2CN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000295105942 552959451 /nfs/dbraw/zinc/95/94/51/552959451.db2.gz USJUCGHDMLZWTJ-MRXNPFEDSA-N 0 3 353.382 2.040 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000295270244 552979221 /nfs/dbraw/zinc/97/92/21/552979221.db2.gz RZDFEJDKHXJOCD-GUYCJALGSA-N 0 3 353.463 2.189 20 30 FEEDHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296114590 553107150 /nfs/dbraw/zinc/10/71/50/553107150.db2.gz VCLFWEWUVVLYKS-UHFFFAOYSA-N 0 3 350.488 2.312 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCN(c2ccnc3ccccc32)CC1 ZINC000297359097 553282891 /nfs/dbraw/zinc/28/28/91/553282891.db2.gz FSADISMCSDTXKK-UHFFFAOYSA-N 0 3 351.454 2.119 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(O)CCC[C@H]2C)cc1 ZINC000297897431 553354387 /nfs/dbraw/zinc/35/43/87/553354387.db2.gz SDSFKMPHVQHXOV-IIYDPXPESA-N 0 3 365.455 2.045 20 30 FEEDHN N#Cc1ccsc1N1CC[C@@H](N[C@@H](CC(N)=O)C2CCCCC2)C1=O ZINC000298720385 553463928 /nfs/dbraw/zinc/46/39/28/553463928.db2.gz BCUDJHHGEKGONW-CABCVRRESA-N 0 3 360.483 2.139 20 30 FEEDHN C#CCNC(=O)c1ccc(N2CCCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000298746379 553467640 /nfs/dbraw/zinc/46/76/40/553467640.db2.gz QFHRCULDDRNIMA-UHFFFAOYSA-N 0 3 373.460 2.029 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)CC1 ZINC000299003537 553502215 /nfs/dbraw/zinc/50/22/15/553502215.db2.gz ACHFMYSPGZCTGE-SFHVURJKSA-N 0 3 354.429 2.110 20 30 FEEDHN C=CCCc1ccccc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000504005413 561651787 /nfs/dbraw/zinc/65/17/87/561651787.db2.gz LQHGVGHBIVBMNQ-GOSISDBHSA-N 0 3 373.497 2.313 20 30 FEEDHN Cc1cc(=NC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)[nH]n1CCC#N ZINC000602921041 553669922 /nfs/dbraw/zinc/66/99/22/553669922.db2.gz AJUSYYIAAYQAFQ-INIZCTEOSA-N 0 3 374.489 2.212 20 30 FEEDHN C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)N1CCC[C@@H](C)C1 ZINC000328680035 553806289 /nfs/dbraw/zinc/80/62/89/553806289.db2.gz NJBMHEBJEGCZFM-ZHALLVOQSA-N 0 3 372.513 2.412 20 30 FEEDHN CN1CCO[C@@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21 ZINC000328927430 553846005 /nfs/dbraw/zinc/84/60/05/553846005.db2.gz XCRUMAZJIIRKTA-JKSUJKDBSA-N 0 3 374.510 2.491 20 30 FEEDHN O=C(CN1CC[C@@H](c2nc(C3CC3)no2)C1)NC1CCN(C2CC2)CC1 ZINC000329020898 553865937 /nfs/dbraw/zinc/86/59/37/553865937.db2.gz HTMRXYDQHXXZSK-CQSZACIVSA-N 0 3 359.474 2.320 20 30 FEEDHN CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CN2CCC1CC2 ZINC000329072850 553875670 /nfs/dbraw/zinc/87/56/70/553875670.db2.gz OMTGAMPPZXGLOO-HXUWFJFHSA-N 0 3 370.472 2.466 20 30 FEEDHN O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000329194226 553899929 /nfs/dbraw/zinc/89/99/29/553899929.db2.gz UOPKERKASGFWFU-WMZOPIPTSA-N 0 3 362.518 2.394 20 30 FEEDHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)CC1 ZINC000329208468 553902556 /nfs/dbraw/zinc/90/25/56/553902556.db2.gz BQVPXJRBGCQEBY-AEFFLSMTSA-N 0 3 364.534 2.150 20 30 FEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000329243855 553910001 /nfs/dbraw/zinc/91/00/01/553910001.db2.gz TYRDYQMZQOPTMT-IKGGRYGDSA-N 0 3 361.490 2.207 20 30 FEEDHN COCCN1CC[C@H](NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)C1 ZINC000329316246 553923825 /nfs/dbraw/zinc/92/38/25/553923825.db2.gz QNXNJMKKACNFHZ-HKUYNNGSSA-N 0 3 359.470 2.200 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC000329423213 553943636 /nfs/dbraw/zinc/94/36/36/553943636.db2.gz HSEWDRTZBIOOLE-YJBOKZPZSA-N 0 3 356.470 2.494 20 30 FEEDHN CN(C)[C@]1(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)CCSC1 ZINC000329463851 553951330 /nfs/dbraw/zinc/95/13/30/553951330.db2.gz UQEZMGJGYCCLIS-KBPBESRZSA-N 0 3 369.453 2.117 20 30 FEEDHN Cc1nnc2n1C[C@@H](CNC(=O)N1CCN(CC3CCCCC3)CC1)CC2 ZINC000329651643 553982786 /nfs/dbraw/zinc/98/27/86/553982786.db2.gz KXHXURWOLVDNEJ-GOSISDBHSA-N 0 3 374.533 2.261 20 30 FEEDHN Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1CCN(CC3CCCCC3)CC1)CC2 ZINC000329651643 553982788 /nfs/dbraw/zinc/98/27/88/553982788.db2.gz KXHXURWOLVDNEJ-GOSISDBHSA-N 0 3 374.533 2.261 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329717649 553994755 /nfs/dbraw/zinc/99/47/55/553994755.db2.gz XUTCVIVGPITOEU-XDNAFOTISA-N 0 3 353.507 2.027 20 30 FEEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329727843 553996059 /nfs/dbraw/zinc/99/60/59/553996059.db2.gz GZJZJANEPMDBRV-ZNMIVQPWSA-N 0 3 352.442 2.235 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)C1 ZINC000329781432 554005000 /nfs/dbraw/zinc/00/50/00/554005000.db2.gz NHCWJBCNCLOQHZ-PNYFIKQUSA-N 0 3 374.529 2.123 20 30 FEEDHN C[C@@H]1CC(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C[C@@H](C)O1 ZINC000329796545 554007664 /nfs/dbraw/zinc/00/76/64/554007664.db2.gz DWRMVIKJMIMMNJ-BZUAXINKSA-N 0 3 353.507 2.289 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)CCN1C ZINC000329805121 554009163 /nfs/dbraw/zinc/00/91/63/554009163.db2.gz MSASHVODHRXPCB-NVXWUHKLSA-N 0 3 350.507 2.108 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000329810105 554009821 /nfs/dbraw/zinc/00/98/21/554009821.db2.gz BHRYAOMPGYDFMW-PITQQHRWSA-N 0 3 362.474 2.131 20 30 FEEDHN Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)CC2)nn1 ZINC000329816767 554011454 /nfs/dbraw/zinc/01/14/54/554011454.db2.gz WEGFHXDTJVJOAN-KBXCAEBGSA-N 0 3 372.517 2.082 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3c[nH]nc3C2)CN1Cc1ccccc1 ZINC000329824143 554013012 /nfs/dbraw/zinc/01/30/12/554013012.db2.gz HSECMSBCFKRBSM-OLMNPRSZSA-N 0 3 353.470 2.434 20 30 FEEDHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H](C)[C@H]3CO)c2)CC1 ZINC000329915169 554031200 /nfs/dbraw/zinc/03/12/00/554031200.db2.gz CWVJEWGVZPNJOT-VQIMIIECSA-N 0 3 360.502 2.467 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@H]3CCCN(C)C3)C2)n1 ZINC000329920505 554031884 /nfs/dbraw/zinc/03/18/84/554031884.db2.gz DZQAFUDGHJJUPB-HKUYNNGSSA-N 0 3 369.513 2.278 20 30 FEEDHN CC(=O)N[C@H](C(=O)N1CCN(C2CCOCC2)C[C@H]1C)C1CCCC1 ZINC000329932518 554034491 /nfs/dbraw/zinc/03/44/91/554034491.db2.gz BBFCBMDQHIUFQL-KDOFPFPSSA-N 0 3 351.491 2.233 20 30 FEEDHN COCCN1CC[C@H](NC(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC000329968485 554041169 /nfs/dbraw/zinc/04/11/69/554041169.db2.gz WCVSSQVUGWKNIM-OTWHNJEPSA-N 0 3 361.486 2.439 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000330031227 554052163 /nfs/dbraw/zinc/05/21/63/554052163.db2.gz SWHCVKFLVKELDA-QBIMZIAESA-N 0 3 362.474 2.193 20 30 FEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000330155068 554075278 /nfs/dbraw/zinc/07/52/78/554075278.db2.gz YBQFRXHGEIZRNE-KFKAGJAMSA-N 0 3 360.454 2.283 20 30 FEEDHN CCN1CCC[C@H](NC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000330324180 554105376 /nfs/dbraw/zinc/10/53/76/554105376.db2.gz IGEYYWCDNQHDNG-FHWLQOOXSA-N 0 3 359.518 2.405 20 30 FEEDHN Cc1csc([C@H]2COCCN2CC(=O)NC2CCN(C3CC3)CC2)n1 ZINC000330350624 554110011 /nfs/dbraw/zinc/11/00/11/554110011.db2.gz LHWMRVBSYXQTAF-MRXNPFEDSA-N 0 3 364.515 2.408 20 30 FEEDHN CCN1CCC[C@H](NC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000330482750 554127140 /nfs/dbraw/zinc/12/71/40/554127140.db2.gz XVFIIZLHHFBUFF-HIFRSBDPSA-N 0 3 353.488 2.139 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N1CCC[C@@H](C)C1 ZINC000330486466 554127758 /nfs/dbraw/zinc/12/77/58/554127758.db2.gz CRNOYSXDZMFKNC-ZIAGYGMSSA-N 0 3 353.463 2.237 20 30 FEEDHN CNC(=O)NC(=O)CCN1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000331099638 554212489 /nfs/dbraw/zinc/21/24/89/554212489.db2.gz ARHQEMZDUVRJIA-IHRRRGAJSA-N 0 3 353.463 2.011 20 30 FEEDHN CN1CCC(O)(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000331231927 554234000 /nfs/dbraw/zinc/23/40/00/554234000.db2.gz FEWCVOKOKJGSJO-UHFFFAOYSA-N 0 3 356.348 2.360 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)NCc3cccc(C#N)c3)CC2)CC1 ZINC000331954409 554351906 /nfs/dbraw/zinc/35/19/06/554351906.db2.gz ILWFTYGDUXKNED-UHFFFAOYSA-N 0 3 369.513 2.117 20 30 FEEDHN C=CC[C@@H]1N(CC(=O)N2CCN(c3cnccn3)CC2)CCCC1(C)C ZINC000332524678 554462925 /nfs/dbraw/zinc/46/29/25/554462925.db2.gz DLXKXLHLACUILX-KRWDZBQOSA-N 0 3 357.502 2.192 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000334036332 554671139 /nfs/dbraw/zinc/67/11/39/554671139.db2.gz LZZKPTVTOQKCKX-WBVHZDCISA-N 0 3 350.507 2.019 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000348512035 554687664 /nfs/dbraw/zinc/68/76/64/554687664.db2.gz NDDHHQMYUGPATG-JQHSSLGASA-N 0 3 357.454 2.163 20 30 FEEDHN N#CCCn1cc(CNC[C@H]2CN3CCC[C@@H]3CO2)c(-c2ccccc2)n1 ZINC000362719979 554983764 /nfs/dbraw/zinc/98/37/64/554983764.db2.gz QSEXEWYMBLTIPS-UXHICEINSA-N 0 3 365.481 2.417 20 30 FEEDHN C#CCOc1ccc(C(=O)N2CCC(CCN3CCN(C)CC3)CC2)cc1 ZINC000363168680 555044343 /nfs/dbraw/zinc/04/43/43/555044343.db2.gz CQZUWPGGEMWWDY-UHFFFAOYSA-N 0 3 369.509 2.188 20 30 FEEDHN CN1CCC[C@H](N2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C1 ZINC000363539177 555131524 /nfs/dbraw/zinc/13/15/24/555131524.db2.gz HEFAPFAKMDIPOZ-IBGZPJMESA-N 0 3 372.538 2.030 20 30 FEEDHN Cc1ccnc(C2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000363795869 555187789 /nfs/dbraw/zinc/18/77/89/555187789.db2.gz PVPIFSSUWHBPAE-GOSISDBHSA-N 0 3 352.438 2.276 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCN([C@H](C)CO)CC1 ZINC000364215955 555272000 /nfs/dbraw/zinc/27/20/00/555272000.db2.gz QRJZNNSVINARKM-IAGOWNOFSA-N 0 3 365.543 2.040 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COCc1cccnc1 ZINC000512315753 561899950 /nfs/dbraw/zinc/89/99/50/561899950.db2.gz UVLREGZSOJBKOG-UHFFFAOYSA-N 0 3 352.438 2.060 20 30 FEEDHN CC(C)(C#N)c1ccccc1CN1CCN(CCN2CCCOCC2)CC1 ZINC000364330444 555292381 /nfs/dbraw/zinc/29/23/81/555292381.db2.gz VOWTXMDHLXGNJF-UHFFFAOYSA-N 0 3 370.541 2.328 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC(=O)N2CCCC[C@H]12)C(C)C ZINC000512392994 561903111 /nfs/dbraw/zinc/90/31/11/561903111.db2.gz MWYWXZKSPHCTEM-RCCFBDPRSA-N 0 3 362.518 2.138 20 30 FEEDHN N#Cc1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000364880463 555423720 /nfs/dbraw/zinc/42/37/20/555423720.db2.gz LQVNSSZKGSPKND-SJORKVTESA-N 0 3 364.287 2.352 20 30 FEEDHN COc1ccc([C@@H](CCC#N)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000365732734 555653849 /nfs/dbraw/zinc/65/38/49/555653849.db2.gz GDRWUBMPRJWEIG-TZIWHRDSSA-N 0 3 372.513 2.036 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000366099687 555751110 /nfs/dbraw/zinc/75/11/10/555751110.db2.gz VUEMJZASIPZWKM-KRWDZBQOSA-N 0 3 359.449 2.330 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366448145 555846874 /nfs/dbraw/zinc/84/68/74/555846874.db2.gz MCANZSXMXFYEJL-MAUKXSAKSA-N 0 3 356.470 2.199 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000366704875 555913614 /nfs/dbraw/zinc/91/36/14/555913614.db2.gz SZFUNABAOMUMMS-FQBWVUSXSA-N 0 3 365.518 2.156 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cc(S(N)(=O)=O)ccc1C#N ZINC000367326535 556018889 /nfs/dbraw/zinc/01/88/89/556018889.db2.gz KPSBTXHNCWAILF-KUHUBIRLSA-N 0 3 370.478 2.138 20 30 FEEDHN N#Cc1ccc(N2CC[C@H](C(=O)N3CC[C@H](N4CCCC4)C3)C2)c(F)c1 ZINC000367651467 556104981 /nfs/dbraw/zinc/10/49/81/556104981.db2.gz SCEZGQRXHKVJIW-IRXDYDNUSA-N 0 3 356.445 2.220 20 30 FEEDHN C=CCN(C(=O)C[C@H]1CCCC(=O)N1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000367953952 556181429 /nfs/dbraw/zinc/18/14/29/556181429.db2.gz YFNBQTCYQSPMFB-MOPGFXCFSA-N 0 3 355.482 2.334 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC1CCN(CCN2CCOCC2)CC1 ZINC000368083919 556213863 /nfs/dbraw/zinc/21/38/63/556213863.db2.gz BCTGWUHBFXLUAX-KRWDZBQOSA-N 0 3 358.486 2.186 20 30 FEEDHN Cc1ccc2ncc(C#N)c(N3CCC(N4CCC[C@H]4C(N)=O)CC3)c2c1 ZINC000368147764 556230671 /nfs/dbraw/zinc/23/06/71/556230671.db2.gz IJYQSDDPTAAOKL-IBGZPJMESA-N 0 3 363.465 2.333 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000368849699 556428986 /nfs/dbraw/zinc/42/89/86/556428986.db2.gz DSVPWBSJRCNEQF-QGZVFWFLSA-N 0 3 370.478 2.144 20 30 FEEDHN COC(=O)c1cccc(CN[C@@H](C2CCOCC2)C2(CO)CCC2)c1C#N ZINC000515639565 562018077 /nfs/dbraw/zinc/01/80/77/562018077.db2.gz DOLUAPQJLFCMBQ-IBGZPJMESA-N 0 3 372.465 2.392 20 30 FEEDHN CCCN1CCN(C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000369153969 556518986 /nfs/dbraw/zinc/51/89/86/556518986.db2.gz FNOHATKUNAJVLE-UHFFFAOYSA-N 0 3 357.458 2.463 20 30 FEEDHN Cn1cc([C@@H](O)C[C@H]2CCCN2CCC(=O)Nc2sccc2C#N)cn1 ZINC000369284438 556564610 /nfs/dbraw/zinc/56/46/10/556564610.db2.gz RDKDUYAZOHDDSV-CVEARBPZSA-N 0 3 373.482 2.270 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@H]2[C@@H]1c1ccccc1 ZINC000369678086 556666343 /nfs/dbraw/zinc/66/63/43/556666343.db2.gz JLXYCURXVADXBE-GGPKGHCWSA-N 0 3 367.474 2.482 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693421 556670100 /nfs/dbraw/zinc/67/01/00/556670100.db2.gz RVAIPUVDBQPWBA-UHFFFAOYSA-N 0 3 368.397 2.329 20 30 FEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000369803739 556699501 /nfs/dbraw/zinc/69/95/01/556699501.db2.gz OBAYJNIHCXZWIS-IBGZPJMESA-N 0 3 362.433 2.230 20 30 FEEDHN CC1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN(Cc2ccccc2)CC1 ZINC000369954459 556740551 /nfs/dbraw/zinc/74/05/51/556740551.db2.gz IDIYGAMAGMZSDC-HXUWFJFHSA-N 0 3 366.509 2.487 20 30 FEEDHN C#CCNC(=O)[C@@H](C)N(C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000371250081 557119624 /nfs/dbraw/zinc/11/96/24/557119624.db2.gz RXICUJVSNNIARW-OAHLLOKOSA-N 0 3 374.460 2.139 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H]2C2CC2)CC1 ZINC000371470297 557190652 /nfs/dbraw/zinc/19/06/52/557190652.db2.gz KNYAASKVMBPPIE-IAGOWNOFSA-N 0 3 358.511 2.331 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000518218336 562106580 /nfs/dbraw/zinc/10/65/80/562106580.db2.gz GZOFOBZQNDSYDB-LJQANCHMSA-N 0 3 357.498 2.186 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000518972240 562122286 /nfs/dbraw/zinc/12/22/86/562122286.db2.gz VVHCMVPYQKZKIO-DOTOQJQBSA-N 0 3 361.461 2.235 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000518972243 562122316 /nfs/dbraw/zinc/12/23/16/562122316.db2.gz VVHCMVPYQKZKIO-WBVHZDCISA-N 0 3 361.461 2.235 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CNC[C@H]1CN2CCC[C@H]2CO1 ZINC000372671969 557534236 /nfs/dbraw/zinc/53/42/36/557534236.db2.gz FTOYBWKXHLVVQP-SFTDATJTSA-N 0 3 350.466 2.361 20 30 FEEDHN COc1cccc2c1C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000519702316 562140636 /nfs/dbraw/zinc/14/06/36/562140636.db2.gz YBKNEYSUPJEWDD-INIZCTEOSA-N 0 3 356.447 2.098 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000373156867 557640717 /nfs/dbraw/zinc/64/07/17/557640717.db2.gz WLULKJTYJVMRCP-MOPGFXCFSA-N 0 3 374.529 2.394 20 30 FEEDHN C=CCCCCCN1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000373292574 557666812 /nfs/dbraw/zinc/66/68/12/557666812.db2.gz JSIVBTKEUBMHGG-GOSISDBHSA-N 0 3 360.502 2.463 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCN(c3ccccn3)CC2)cc1 ZINC000373443740 557694748 /nfs/dbraw/zinc/69/47/48/557694748.db2.gz UMFOTHNMHBYCGA-IBGZPJMESA-N 0 3 359.433 2.374 20 30 FEEDHN COc1cccc2c1OC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000373445069 557695130 /nfs/dbraw/zinc/69/51/30/557695130.db2.gz ZNGNONRHHUOJCN-ZWKOTPCHSA-N 0 3 361.401 2.369 20 30 FEEDHN COc1cccc2c1OC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000373445065 557695244 /nfs/dbraw/zinc/69/52/44/557695244.db2.gz ZNGNONRHHUOJCN-QZTJIDSGSA-N 0 3 361.401 2.369 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000373488163 557703030 /nfs/dbraw/zinc/70/30/30/557703030.db2.gz FWFKSBBHGRNACX-IBGZPJMESA-N 0 3 351.491 2.006 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000373863570 557775689 /nfs/dbraw/zinc/77/56/89/557775689.db2.gz SDOFAYFROAOASR-HXUWFJFHSA-N 0 3 353.422 2.169 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cnc2c(C#N)cnn2c1 ZINC000520812838 562164324 /nfs/dbraw/zinc/16/43/24/562164324.db2.gz GNMOZPJAIRTKFM-UHFFFAOYSA-N 0 3 359.437 2.036 20 30 FEEDHN COc1ccc(CN[C@H]2CCN(c3cnn(C)c3)C2)cc1OCCCC#N ZINC000374246841 557850123 /nfs/dbraw/zinc/85/01/23/557850123.db2.gz BTWQYWMWGNAXKN-KRWDZBQOSA-N 0 3 369.469 2.480 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2CO)cc1 ZINC000521013864 562167655 /nfs/dbraw/zinc/16/76/55/562167655.db2.gz BGWCZJGIMYDUSC-ZDUSSCGKSA-N 0 3 373.434 2.186 20 30 FEEDHN C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000374307364 557863030 /nfs/dbraw/zinc/86/30/30/557863030.db2.gz CQTQUOIRNFPUGX-ZFWWWQNUSA-N 0 3 367.419 2.434 20 30 FEEDHN C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1=CCN(C)CC1 ZINC000374727539 557922075 /nfs/dbraw/zinc/92/20/75/557922075.db2.gz BQKIYAXKXNUUEA-DNVCBOLYSA-N 0 3 354.454 2.292 20 30 FEEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000374851174 557941079 /nfs/dbraw/zinc/94/10/79/557941079.db2.gz ORACERJELPYXQL-TZIWHRDSSA-N 0 3 370.497 2.325 20 30 FEEDHN CCN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000375211184 557992516 /nfs/dbraw/zinc/99/25/16/557992516.db2.gz NUSBFMZHJBCDEW-HXUWFJFHSA-N 0 3 367.497 2.239 20 30 FEEDHN C(#CCN1CCC[C@H](c2cc[nH]n2)C1)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000375473796 558033623 /nfs/dbraw/zinc/03/36/23/558033623.db2.gz OMWDKPVUBJINMF-ROUUACIJSA-N 0 3 352.486 2.195 20 30 FEEDHN CN1CCC[C@@H](N2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C1 ZINC000375694420 558068892 /nfs/dbraw/zinc/06/88/92/558068892.db2.gz XFJHVKZKBYJBQA-LJQANCHMSA-N 0 3 354.498 2.340 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000521560790 562178658 /nfs/dbraw/zinc/17/86/58/562178658.db2.gz XXGUIWAFJFPYJR-HKUYNNGSSA-N 0 3 360.479 2.186 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000376442198 558173830 /nfs/dbraw/zinc/17/38/30/558173830.db2.gz PQAAFDSIDXWZKR-RBUKOAKNSA-N 0 3 367.449 2.285 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000376837120 558227932 /nfs/dbraw/zinc/22/79/32/558227932.db2.gz ROAWPSMZMPSBLF-RDJZCZTQSA-N 0 3 358.442 2.141 20 30 FEEDHN C=CCOc1ccc(CNC(=O)N2CCC[C@H]2CN2CCC[C@@H]2CO)cc1 ZINC000377226382 558293245 /nfs/dbraw/zinc/29/32/45/558293245.db2.gz VYSLHEQDENWSIH-RBUKOAKNSA-N 0 3 373.497 2.382 20 30 FEEDHN Cc1cc(=NC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)[nH]n1CCC#N ZINC000378510897 558572550 /nfs/dbraw/zinc/57/25/50/558572550.db2.gz JGKXZUVUESXTTG-SFHVURJKSA-N 0 3 366.469 2.843 20 30 FEEDHN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000390727392 558611636 /nfs/dbraw/zinc/61/16/36/558611636.db2.gz SGYXUYWGRNLHAH-QGZVFWFLSA-N 0 3 371.506 2.442 20 30 FEEDHN C[C@H]1CCC[C@](CNCCS(=O)(=O)c2cccc(C#N)c2)(N(C)C)C1 ZINC000392795323 558619085 /nfs/dbraw/zinc/61/90/85/558619085.db2.gz QPVQEMJPHLALDH-LPHOPBHVSA-N 0 3 363.527 2.432 20 30 FEEDHN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[C@@H]1N1CCN(C)CC1 ZINC000409719611 558716132 /nfs/dbraw/zinc/71/61/32/558716132.db2.gz ZCMKOFJWEWZUEM-CJNGLKHVSA-N 0 3 367.419 2.434 20 30 FEEDHN COC[C@@](C)(CC(=O)OC)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411392556 558886518 /nfs/dbraw/zinc/88/65/18/558886518.db2.gz QEYBQXNKOQQZMG-QGZVFWFLSA-N 0 3 367.833 2.098 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)n(C)n1 ZINC000525656896 562251521 /nfs/dbraw/zinc/25/15/21/562251521.db2.gz YPIBDXUKDORZQM-UHFFFAOYSA-N 0 3 351.454 2.373 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N1CCCC1 ZINC000525780280 562254867 /nfs/dbraw/zinc/25/48/67/562254867.db2.gz OUUDONPHVJVFPO-NSHDSACASA-N 0 3 368.359 2.116 20 30 FEEDHN CNC(=O)C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411684644 558943599 /nfs/dbraw/zinc/94/35/99/558943599.db2.gz UIGZUITVCZUBKD-GOSISDBHSA-N 0 3 350.422 2.354 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000411700955 558946953 /nfs/dbraw/zinc/94/69/53/558946953.db2.gz YRQUYJBGMJUCNU-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN COC1([C@@H](C)NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCC1 ZINC000412029517 559003897 /nfs/dbraw/zinc/00/38/97/559003897.db2.gz YITABPISPXAACU-CQSZACIVSA-N 0 3 353.426 2.230 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000412034073 559004592 /nfs/dbraw/zinc/00/45/92/559004592.db2.gz FOOCCRDCLCVSCT-UHFFFAOYSA-N 0 3 365.405 2.442 20 30 FEEDHN C[C@@H]1C[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@H](C)O1 ZINC000413738380 559128039 /nfs/dbraw/zinc/12/80/39/559128039.db2.gz APVPQKVFOSBGID-JTDSTZFVSA-N 0 3 358.486 2.445 20 30 FEEDHN CN(C)c1ncc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1C ZINC000414332753 559156894 /nfs/dbraw/zinc/15/68/94/559156894.db2.gz ACUPCILXHRRVKX-OAHLLOKOSA-N 0 3 356.449 2.255 20 30 FEEDHN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCCNCC3)cc2)c1 ZINC000415316433 559223693 /nfs/dbraw/zinc/22/36/93/559223693.db2.gz JMPQZBVPPLAIKA-UHFFFAOYSA-N 0 3 364.405 2.111 20 30 FEEDHN CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)[C@H](C)CN)sc2C1 ZINC000415419982 559233666 /nfs/dbraw/zinc/23/36/66/559233666.db2.gz RTQFJAOYSKBHNA-NEPJUHHUSA-N 0 3 362.499 2.125 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C)CN1 ZINC000415446735 559237889 /nfs/dbraw/zinc/23/78/89/559237889.db2.gz HKSMTNZCZSGDOX-VXGBXAGGSA-N 0 3 358.833 2.611 20 30 FEEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)C1CNC1 ZINC000415746511 559267145 /nfs/dbraw/zinc/26/71/45/559267145.db2.gz TUBJHIDJQNQLEL-UHFFFAOYSA-N 0 3 364.405 2.028 20 30 FEEDHN C=CCN(C(=O)N[C@@H]1CCN(CC)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000416735076 559330547 /nfs/dbraw/zinc/33/05/47/559330547.db2.gz PVNCRHABAGULOA-DOTOQJQBSA-N 0 3 369.473 2.015 20 30 FEEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CNCCC1(F)F ZINC000416938617 559339271 /nfs/dbraw/zinc/33/92/71/559339271.db2.gz BIBLTAKFDXQRCN-CYBMUJFWSA-N 0 3 361.314 2.353 20 30 FEEDHN N#Cc1cccc([C@H]2CN(C(=O)NC[C@H](N)c3ccccc3)CCO2)c1 ZINC000418426504 559401143 /nfs/dbraw/zinc/40/11/43/559401143.db2.gz JZOPYGUJFAEDIU-RBUKOAKNSA-N 0 3 350.422 2.341 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000419059890 559426621 /nfs/dbraw/zinc/42/66/21/559426621.db2.gz SBWIZTIRMBGUMH-HXUWFJFHSA-N 0 3 365.477 2.278 20 30 FEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000419603264 559449464 /nfs/dbraw/zinc/44/94/64/559449464.db2.gz BAZYHEFALVMHJC-IEBWSBKVSA-N 0 3 356.470 2.082 20 30 FEEDHN C=CC[C@@H]1N(C(=O)C(=O)NCCCNCc2cccnc2)CCCC1(C)C ZINC000419853142 559462335 /nfs/dbraw/zinc/46/23/35/559462335.db2.gz SAZPZAZTXWIUIL-SFHVURJKSA-N 0 3 372.513 2.271 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419916186 559464305 /nfs/dbraw/zinc/46/43/05/559464305.db2.gz DRLOCBPEAZBIHM-IBGZPJMESA-N 0 3 364.449 2.111 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)C[C@H]1CCCN1C ZINC000420993746 559518241 /nfs/dbraw/zinc/51/82/41/559518241.db2.gz BAJGJCJKGLHVDT-DLBZAZTESA-N 0 3 358.486 2.356 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N(CCN(C)C)C(C)C)c(C#N)cn1CC ZINC000421179408 559529260 /nfs/dbraw/zinc/52/92/60/559529260.db2.gz ZZWIHZSUIBMJHR-UHFFFAOYSA-N 0 3 363.462 2.360 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000421543604 559544895 /nfs/dbraw/zinc/54/48/95/559544895.db2.gz FECLANZLIBRKJM-PKOBYXMFSA-N 0 3 357.498 2.281 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@@H]3CCCN3C)C2)n1 ZINC000421715135 559550697 /nfs/dbraw/zinc/55/06/97/559550697.db2.gz XBQXIASXWNAOMY-ROUUACIJSA-N 0 3 355.486 2.031 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000422310111 559577668 /nfs/dbraw/zinc/57/76/68/559577668.db2.gz VMGRELVLBMNRKN-MOPGFXCFSA-N 0 3 357.498 2.281 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000422533427 559593358 /nfs/dbraw/zinc/59/33/58/559593358.db2.gz XHHCEIGMUZFZAF-BHIYHBOVSA-N 0 3 357.498 2.089 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000422544946 559594046 /nfs/dbraw/zinc/59/40/46/559594046.db2.gz REIZGGCPWOXOGD-WOJBJXKFSA-N 0 3 369.509 2.377 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000424131445 559655683 /nfs/dbraw/zinc/65/56/83/559655683.db2.gz GPOREMZDCBPSBH-MRXNPFEDSA-N 0 3 353.426 2.031 20 30 FEEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1Br ZINC000424135673 559655759 /nfs/dbraw/zinc/65/57/59/559655759.db2.gz ZQNZVMJYSDJUKK-DGCLKSJQSA-N 0 3 354.248 2.354 20 30 FEEDHN CN1CC[C@H](NC(=O)[C@H](N)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424178703 559656882 /nfs/dbraw/zinc/65/68/82/559656882.db2.gz XETFZSKUXOLPEK-PMPSAXMXSA-N 0 3 352.841 2.362 20 30 FEEDHN C=CCCCS(=O)(=O)Nc1cc(C(=O)NCCN(C)C)ccc1Cl ZINC000424216427 559658254 /nfs/dbraw/zinc/65/82/54/559658254.db2.gz SLKIPVMLELWOOS-UHFFFAOYSA-N 0 3 373.906 2.339 20 30 FEEDHN C=CCC1(C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)CCOCC1 ZINC000424710669 559674379 /nfs/dbraw/zinc/67/43/79/559674379.db2.gz IDEHWQAXXKKDTH-QGZVFWFLSA-N 0 3 362.470 2.299 20 30 FEEDHN C=CCCn1cc(C(=O)N[C@@H](CN2CCCC2)c2ccc(OC)cc2)nn1 ZINC000424760267 559675844 /nfs/dbraw/zinc/67/58/44/559675844.db2.gz IHRBUXYASCJQNT-SFHVURJKSA-N 0 3 369.469 2.430 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)nn1 ZINC000425562395 559709925 /nfs/dbraw/zinc/70/99/25/559709925.db2.gz FZVOCEKJUXUTEV-SFHVURJKSA-N 0 3 354.458 2.100 20 30 FEEDHN C=CC[C@@H](C(=O)NC1CCN(CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000426996780 559745407 /nfs/dbraw/zinc/74/54/07/559745407.db2.gz DUDPHSHDDFCSMG-LJQANCHMSA-N 0 3 357.498 2.405 20 30 FEEDHN N#Cc1cccc(F)c1CC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428547699 559777782 /nfs/dbraw/zinc/77/77/82/559777782.db2.gz NOQCMOAZZVALAU-KRWDZBQOSA-N 0 3 353.397 2.445 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000429777428 559805489 /nfs/dbraw/zinc/80/54/89/559805489.db2.gz XVLVYISXCVPCNU-MSOLQXFVSA-N 0 3 356.470 2.054 20 30 FEEDHN C[C@H]1CN(CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000432872875 559866752 /nfs/dbraw/zinc/86/67/52/559866752.db2.gz OOCHJKHGIJHIPZ-AWEZNQCLSA-N 0 3 369.425 2.927 20 30 FEEDHN CCc1nc(CN2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)no1 ZINC000433356624 559878263 /nfs/dbraw/zinc/87/82/63/559878263.db2.gz UUJFGZGVRHNMQH-QGZVFWFLSA-N 0 3 367.453 2.049 20 30 FEEDHN CCCN(CCN(CC)CC)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000433641980 559885432 /nfs/dbraw/zinc/88/54/32/559885432.db2.gz KLWKJRAPEIMSDG-UHFFFAOYSA-N 0 3 356.470 2.028 20 30 FEEDHN CN(C)CCOc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435433226 559922930 /nfs/dbraw/zinc/92/29/30/559922930.db2.gz MTINKXIEMOQOHS-UHFFFAOYSA-N 0 3 365.480 2.039 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000440058333 560003948 /nfs/dbraw/zinc/00/39/48/560003948.db2.gz CGBCTRIKYWLSJQ-KGLIPLIRSA-N 0 3 353.463 2.237 20 30 FEEDHN C=CCN(C(=O)NC[C@H]1CCCN1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441326322 560028726 /nfs/dbraw/zinc/02/87/26/560028726.db2.gz FADDOBQEZXORQS-CRAIPNDOSA-N 0 3 369.473 2.015 20 30 FEEDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000445904202 560136585 /nfs/dbraw/zinc/13/65/85/560136585.db2.gz OQMVFGYJTPRWBE-HUUCEWRRSA-N 0 3 362.440 2.245 20 30 FEEDHN N#Cc1cc(F)c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c(F)c1 ZINC000446254751 560142836 /nfs/dbraw/zinc/14/28/36/560142836.db2.gz ZOXABUZGYBDHJG-HXUWFJFHSA-N 0 3 371.387 2.203 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449171880 560219015 /nfs/dbraw/zinc/21/90/15/560219015.db2.gz BDKRRINNJDRJPJ-GFCCVEGCSA-N 0 3 366.259 2.300 20 30 FEEDHN CCOC(=O)[C@H]1CN(Cc2cccc(OCCCC#N)c2)CC12COC2 ZINC000449367536 560227671 /nfs/dbraw/zinc/22/76/71/560227671.db2.gz WYDHJTSHDMZOKP-GOSISDBHSA-N 0 3 358.438 2.381 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000449520768 560232752 /nfs/dbraw/zinc/23/27/52/560232752.db2.gz QBNHJJMCXQKZGO-UAGQMJEPSA-N 0 3 362.470 2.374 20 30 FEEDHN CCc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1 ZINC000450225423 560254535 /nfs/dbraw/zinc/25/45/35/560254535.db2.gz BBVNXQCEQLTXOG-UHFFFAOYSA-N 0 3 356.451 2.027 20 30 FEEDHN CN(C)CCN(C(=O)COc1ccc(C#N)c(Br)c1)C1CC1 ZINC000450719492 560271401 /nfs/dbraw/zinc/27/14/01/560271401.db2.gz WCASRYAJPZZFHX-UHFFFAOYSA-N 0 3 366.259 2.252 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000450856481 560275822 /nfs/dbraw/zinc/27/58/22/560275822.db2.gz ITVUTTZDZNRCFC-KURKYZTESA-N 0 3 360.479 2.269 20 30 FEEDHN C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451177591 560291532 /nfs/dbraw/zinc/29/15/32/560291532.db2.gz WPDMKLPSKJYVDV-KBPBESRZSA-N 0 3 353.463 2.380 20 30 FEEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451280193 560297851 /nfs/dbraw/zinc/29/78/51/560297851.db2.gz GHRVFQSRBMXUDM-GOSISDBHSA-N 0 3 361.511 2.464 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533867 560312883 /nfs/dbraw/zinc/31/28/83/560312883.db2.gz XBBQMDIEOLDNPP-OAQYLSRUSA-N 0 3 371.500 2.443 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3cc(F)ccc3C#N)C2)CC1 ZINC000451534176 560312962 /nfs/dbraw/zinc/31/29/62/560312962.db2.gz MVZGNLYKVAKLSV-SFHVURJKSA-N 0 3 372.488 2.464 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000451608818 560317363 /nfs/dbraw/zinc/31/73/63/560317363.db2.gz UGJQIEVFKYVBNM-SQNIBIBYSA-N 0 3 360.454 2.300 20 30 FEEDHN CN(C)CC1(NC(=O)COc2ccc(C#N)c(Br)c2)CCC1 ZINC000451637616 560318497 /nfs/dbraw/zinc/31/84/97/560318497.db2.gz XTVDGWAKMCSWGW-UHFFFAOYSA-N 0 3 366.259 2.300 20 30 FEEDHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)cc1 ZINC000453031893 560381776 /nfs/dbraw/zinc/38/17/76/560381776.db2.gz SRWCABVFUCPGEM-UHFFFAOYSA-N 0 3 365.437 2.239 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NCCCN(C)Cc2ccccc2)c1 ZINC000453580629 560389614 /nfs/dbraw/zinc/38/96/14/560389614.db2.gz JZBNKVMRQROIFK-UHFFFAOYSA-N 0 3 364.449 2.444 20 30 FEEDHN N#CCc1cccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000453668322 560395030 /nfs/dbraw/zinc/39/50/30/560395030.db2.gz HUPHGLOXWURDKB-SFHVURJKSA-N 0 3 354.454 2.168 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000453695152 560397451 /nfs/dbraw/zinc/39/74/51/560397451.db2.gz KRBHXULIJULGQQ-MRXNPFEDSA-N 0 3 364.449 2.442 20 30 FEEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453706828 560398425 /nfs/dbraw/zinc/39/84/25/560398425.db2.gz GHSHYDGFBHGVAX-OCCSQVGLSA-N 0 3 360.845 2.040 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NC[C@H]2CCCCN2CCO)cc1C#N ZINC000455005079 560466946 /nfs/dbraw/zinc/46/69/46/560466946.db2.gz VULYPCBWQNPJQH-QGZVFWFLSA-N 0 3 360.458 2.314 20 30 FEEDHN C=CCC[C@@H](CO)NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000457488157 560570168 /nfs/dbraw/zinc/57/01/68/560570168.db2.gz QGFGAUPIEUREGJ-HKUYNNGSSA-N 0 3 361.486 2.458 20 30 FEEDHN C=CCC[C@H](CO)NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000457488158 560570201 /nfs/dbraw/zinc/57/02/01/560570201.db2.gz QGFGAUPIEUREGJ-IEBWSBKVSA-N 0 3 361.486 2.458 20 30 FEEDHN C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000460555992 560746207 /nfs/dbraw/zinc/74/62/07/560746207.db2.gz GTDJXLKNGFNRON-SFHVURJKSA-N 0 3 360.550 2.269 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCC[C@H]3C#N)cc2)CC1 ZINC000461943026 560789018 /nfs/dbraw/zinc/78/90/18/560789018.db2.gz VNDIKJHULVAGLX-VQTJNVASSA-N 0 3 369.513 2.316 20 30 FEEDHN N#CC(C(=O)c1cccc(OCC(N)=O)c1)c1cc(C(F)(F)F)ccn1 ZINC000464411905 560841007 /nfs/dbraw/zinc/84/10/07/560841007.db2.gz OSHGJBJGZVSSQG-CYBMUJFWSA-N 0 3 363.295 2.455 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@H]1C ZINC000464420366 560841253 /nfs/dbraw/zinc/84/12/53/560841253.db2.gz PTEPWNAPEQHZRI-UKRRQHHQSA-N 0 3 351.472 2.060 20 30 FEEDHN CC(C#N)C(=O)N(CCCNC(=O)[C@H](C)C#N)CCCc1ccccc1 ZINC000468783219 560938610 /nfs/dbraw/zinc/93/86/10/560938610.db2.gz BEMDOULVNAYXMF-IAGOWNOFSA-N 0 3 354.454 2.273 20 30 FEEDHN CCOC(=O)[C@](C)(CN[C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000469276876 560951538 /nfs/dbraw/zinc/95/15/38/560951538.db2.gz WOGICVRWUGSGCW-DNVCBOLYSA-N 0 3 357.454 2.048 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(Cc3cscn3)CC2)cc1 ZINC000471866013 561013304 /nfs/dbraw/zinc/01/33/04/561013304.db2.gz PEJAIMALKZZIOI-QGZVFWFLSA-N 0 3 365.462 2.041 20 30 FEEDHN C[C@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000473660228 561055339 /nfs/dbraw/zinc/05/53/39/561055339.db2.gz MIZVTOVUTTVGDL-INIZCTEOSA-N 0 3 357.502 2.335 20 30 FEEDHN Cn1ncc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c1C#N ZINC000476366668 561117757 /nfs/dbraw/zinc/11/77/57/561117757.db2.gz QEEYSQJEIVLUSI-UHFFFAOYSA-N 0 3 353.426 2.409 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000528479157 562331445 /nfs/dbraw/zinc/33/14/45/562331445.db2.gz VQBPOWASPYEBLW-QRVBRYPASA-N 0 3 364.445 2.223 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530026627 562395025 /nfs/dbraw/zinc/39/50/25/562395025.db2.gz MMHQIQMPCRNAQG-INIZCTEOSA-N 0 3 356.470 2.341 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530026627 562395026 /nfs/dbraw/zinc/39/50/26/562395026.db2.gz MMHQIQMPCRNAQG-INIZCTEOSA-N 0 3 356.470 2.341 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000530532991 562414910 /nfs/dbraw/zinc/41/49/10/562414910.db2.gz TYWPTKBCQBSDLT-QGZVFWFLSA-N 0 3 373.453 2.498 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(Nc3ccccn3)CC2)cc1 ZINC000534861741 562543991 /nfs/dbraw/zinc/54/39/91/562543991.db2.gz VPYVYGNFGOCEFD-GOSISDBHSA-N 0 3 352.438 2.269 20 30 FEEDHN CS[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1N(C)C ZINC000534951999 562546121 /nfs/dbraw/zinc/54/61/21/562546121.db2.gz QTVDMQLQPDPMQK-KBAYOESNSA-N 0 3 360.527 2.299 20 30 FEEDHN C=C(C)[C@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)OCC ZINC000536432998 562575387 /nfs/dbraw/zinc/57/53/87/562575387.db2.gz INKUTMFCYZGLBU-AABGKKOBSA-N 0 3 360.498 2.357 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000546005239 562632641 /nfs/dbraw/zinc/63/26/41/562632641.db2.gz HHGFZCRCBUGUIX-AWEZNQCLSA-N 0 3 372.469 2.132 20 30 FEEDHN COc1cc([C@@H](C#N)NC(=O)CN(C)CC(C)(C)C)cc(OC)c1OC ZINC000602089966 567923924 /nfs/dbraw/zinc/92/39/24/567923924.db2.gz ZXUMVDFXOQUCHY-CQSZACIVSA-N 0 3 363.458 2.371 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)ccc2[nH]c1=O ZINC000602141759 567935545 /nfs/dbraw/zinc/93/55/45/567935545.db2.gz NTHIPBIEQRISQL-KRWDZBQOSA-N 0 3 369.469 2.458 20 30 FEEDHN C[C@H](NC(C)(C)CNC(=O)N1CCN(CCC#N)CC1)c1ccccc1 ZINC000602253181 567959955 /nfs/dbraw/zinc/95/99/55/567959955.db2.gz DIRHWVKVPGHZFT-KRWDZBQOSA-N 0 3 357.502 2.357 20 30 FEEDHN C[C@@H](NC(C)(C)CNC(=O)N1CCN(CCC#N)CC1)c1ccccc1 ZINC000602253183 567959960 /nfs/dbraw/zinc/95/99/60/567959960.db2.gz DIRHWVKVPGHZFT-QGZVFWFLSA-N 0 3 357.502 2.357 20 30 FEEDHN N#CCCN1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000602255285 567960238 /nfs/dbraw/zinc/96/02/38/567960238.db2.gz VCHPSJSUTLJXNF-HXUWFJFHSA-N 0 3 369.513 2.454 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000602525261 567987749 /nfs/dbraw/zinc/98/77/49/567987749.db2.gz JFTNWDBZTXYXKJ-UMVBOHGHSA-N 0 3 355.360 2.448 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000602509505 567989117 /nfs/dbraw/zinc/98/91/17/567989117.db2.gz YYRJBQROQWIYCY-QGZVFWFLSA-N 0 3 371.481 2.348 20 30 FEEDHN C[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602858775 568003014 /nfs/dbraw/zinc/00/30/14/568003014.db2.gz VDXPJJUGBYWSDU-FUHIMQAGSA-N 0 3 354.498 2.488 20 30 FEEDHN N#Cc1ccc(OCCNC[C@@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000568383942 568035717 /nfs/dbraw/zinc/03/57/17/568035717.db2.gz PHOMORDLXUKKED-MRXNPFEDSA-N 0 3 351.406 2.448 20 30 FEEDHN N#Cc1ccc(C[C@H](C#N)C(=O)N2CCCN(c3ccncc3)CC2)cc1 ZINC000603083947 568058919 /nfs/dbraw/zinc/05/89/19/568058919.db2.gz PWODWHYVQWFDLM-LJQANCHMSA-N 0 3 359.433 2.374 20 30 FEEDHN Cc1ccccc1O[C@H](C)CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000568621230 568099820 /nfs/dbraw/zinc/09/98/20/568099820.db2.gz UMKGCUDMMZTAKO-OAHLLOKOSA-N 0 3 359.451 2.093 20 30 FEEDHN Cc1n[nH]c([C@@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000568841724 568232260 /nfs/dbraw/zinc/23/22/60/568232260.db2.gz CNDOCZTVBBBBDM-GFCCVEGCSA-N 0 3 370.482 2.353 20 30 FEEDHN N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000568847714 568236070 /nfs/dbraw/zinc/23/60/70/568236070.db2.gz DNVWTSQYGXGFKH-GOSISDBHSA-N 0 3 350.422 2.013 20 30 FEEDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000570622486 568491617 /nfs/dbraw/zinc/49/16/17/568491617.db2.gz OCHOFBJFFMDPNK-LLVKDONJSA-N 0 3 374.304 2.328 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000819743584 599698139 /nfs/dbraw/zinc/69/81/39/599698139.db2.gz MPSUARAUNCDBFR-GJZGRUSLSA-N 0 3 354.458 2.254 20 30 FEEDHN C=CCC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000819734491 607390157 /nfs/dbraw/zinc/39/01/57/607390157.db2.gz PEHTUXSUMQUFMU-RHSMWYFYSA-N 0 3 364.457 2.402 20 30 FEEDHN C=CCC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1 ZINC000819734491 607390159 /nfs/dbraw/zinc/39/01/59/607390159.db2.gz PEHTUXSUMQUFMU-RHSMWYFYSA-N 0 3 364.457 2.402 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000558529920 674501678 /nfs/dbraw/zinc/50/16/78/674501678.db2.gz VANIADLIJCIVSO-UHFFFAOYSA-N 0 3 350.413 2.486 20 30 FEEDHN C#CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)C1CCCCC1 ZINC000823849893 607920988 /nfs/dbraw/zinc/92/09/88/607920988.db2.gz BQDDDAPPVLVCMN-UHFFFAOYSA-N 0 3 353.426 2.421 20 30 FEEDHN C#CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)C1CCCCC1 ZINC000823849893 607920989 /nfs/dbraw/zinc/92/09/89/607920989.db2.gz BQDDDAPPVLVCMN-UHFFFAOYSA-N 0 3 353.426 2.421 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000824584906 608484601 /nfs/dbraw/zinc/48/46/01/608484601.db2.gz JJTKONJVSYGXBE-LLVKDONJSA-N 0 3 367.438 2.479 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000824584906 608484602 /nfs/dbraw/zinc/48/46/02/608484602.db2.gz JJTKONJVSYGXBE-LLVKDONJSA-N 0 3 367.438 2.479 20 30 FEEDHN C[C@H]1C(N=Nc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 ZINC000811628839 674617288 /nfs/dbraw/zinc/61/72/88/674617288.db2.gz NOSXHWSBUMXUHI-AWEZNQCLSA-N 0 3 358.467 2.396 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000815859823 674978806 /nfs/dbraw/zinc/97/88/06/674978806.db2.gz NWCBEYKPLSJWIJ-UHFFFAOYSA-N 0 3 363.889 2.475 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H](CO)CC2CCCCC2)c1 ZINC000564977792 675084201 /nfs/dbraw/zinc/08/42/01/675084201.db2.gz ZLSFFBKFRSQUNB-KRWDZBQOSA-N 0 3 350.484 2.253 20 30 FEEDHN C#CCOc1ccc(CNCCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000113329499 670883263 /nfs/dbraw/zinc/88/32/63/670883263.db2.gz NMCPBWUWNZPZFF-UHFFFAOYSA-N 0 3 358.463 2.075 20 30 FEEDHN N#Cc1cnn2cc(CN[C@H]3CCN(c4ncccc4Cl)C3)cnc12 ZINC000572842672 671051255 /nfs/dbraw/zinc/05/12/55/671051255.db2.gz RMUPKRHPHSMZAR-AWEZNQCLSA-N 0 3 353.817 2.018 20 30 FEEDHN C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000579177075 671716908 /nfs/dbraw/zinc/71/69/08/671716908.db2.gz OGXVJWZFCRJJND-KSSFIOAISA-N 0 3 360.889 2.310 20 30 FEEDHN C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000579177073 671716937 /nfs/dbraw/zinc/71/69/37/671716937.db2.gz OGXVJWZFCRJJND-KBXCAEBGSA-N 0 3 360.889 2.310 20 30 FEEDHN N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000121757895 671956797 /nfs/dbraw/zinc/95/67/97/671956797.db2.gz CIVPJVXMBNQXKD-DYVFJYSZSA-N 0 3 363.458 2.335 20 30 FEEDHN N#CC(C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CC1 ZINC000134976336 672128261 /nfs/dbraw/zinc/12/82/61/672128261.db2.gz TYQLJPSYANZSEJ-CYBMUJFWSA-N 0 3 358.785 2.310 20 30 FEEDHN COc1ccc(Br)cc1CC(=O)C(C#N)C(=O)NC(C)C ZINC000173984638 672356677 /nfs/dbraw/zinc/35/66/77/672356677.db2.gz RKZUKTCJWAJKQI-GFCCVEGCSA-N 0 3 353.216 2.234 20 30 FEEDHN N#CC[C@@]1(O)CCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000592151866 672764728 /nfs/dbraw/zinc/76/47/28/672764728.db2.gz RHVNZNRRUTYUIW-OAHLLOKOSA-N 0 3 352.232 2.128 20 30 FEEDHN CO[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C(F)(F)F ZINC000593059094 672869543 /nfs/dbraw/zinc/86/95/43/672869543.db2.gz HMCXSPYEKCNRKZ-OAHLLOKOSA-N 0 3 357.376 2.416 20 30 FEEDHN COc1c(Br)cc(C=NNC(=N)N)cc1Br ZINC000254744650 672880459 /nfs/dbraw/zinc/88/04/59/672880459.db2.gz ZFDPFRYTGROTGK-UHFFFAOYSA-N 0 3 350.014 2.037 20 30 FEEDHN CN(C)C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)c2ccccc2O1 ZINC000612678426 676093237 /nfs/dbraw/zinc/09/32/37/676093237.db2.gz IPESPUICUJUZDH-HNNXBMFYSA-N 0 3 363.483 2.229 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC000594327975 673059239 /nfs/dbraw/zinc/05/92/39/673059239.db2.gz YHNDYGZQASKGTG-HZPDHXFCSA-N 0 3 360.845 2.283 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000328716989 673065336 /nfs/dbraw/zinc/06/53/36/673065336.db2.gz FBLGUOQGMIJRBU-JZXOWHBKSA-N 0 3 353.507 2.291 20 30 FEEDHN COC(=O)c1cc(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)c[nH]1 ZINC000594425955 673070726 /nfs/dbraw/zinc/07/07/26/673070726.db2.gz BSBMZAICXRKXKH-NSHDSACASA-N 0 3 361.427 2.275 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000594444684 673073018 /nfs/dbraw/zinc/07/30/18/673073018.db2.gz BKQWKZAPSKIZRT-GJZGRUSLSA-N 0 3 366.824 2.112 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000594444686 673073108 /nfs/dbraw/zinc/07/31/08/673073108.db2.gz BKQWKZAPSKIZRT-LSDHHAIUSA-N 0 3 366.824 2.112 20 30 FEEDHN C[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)CN1CCN(C)CC1 ZINC000726481309 673126271 /nfs/dbraw/zinc/12/62/71/673126271.db2.gz RTHFZDOHOVBNSV-CYBMUJFWSA-N 0 3 365.934 2.382 20 30 FEEDHN CNC(=O)c1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000728766687 673211034 /nfs/dbraw/zinc/21/10/34/673211034.db2.gz GFBJGVIMXOWZIU-NSHDSACASA-N 0 3 356.769 2.056 20 30 FEEDHN C[C@H]1CN(CCCCNC(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)O1 ZINC000597361983 673471750 /nfs/dbraw/zinc/47/17/50/673471750.db2.gz VYJGZYKUPDYRSX-STQMWFEESA-N 0 3 351.397 2.456 20 30 FEEDHN C[C@](O)(C1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1)C(F)(F)F ZINC000599367000 673664602 /nfs/dbraw/zinc/66/46/02/673664602.db2.gz ZZHGFOPXNJOABE-CABCVRRESA-N 0 3 364.408 2.083 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(SC)cc1 ZINC000741110509 673671001 /nfs/dbraw/zinc/67/10/01/673671001.db2.gz FPFZPVHSFGFOGS-DOMZBBRYSA-N 0 3 350.440 2.037 20 30 FEEDHN COC(=O)c1cnc(C2CCN(C[C@H](O)CC(C)(C)C#N)CC2)s1 ZINC000599557099 673691470 /nfs/dbraw/zinc/69/14/70/673691470.db2.gz XDGXNNVSJLCQSQ-CYBMUJFWSA-N 0 3 351.472 2.410 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000601310795 673841276 /nfs/dbraw/zinc/84/12/76/673841276.db2.gz UITYMSUWTIPGMY-UHFFFAOYSA-N 0 3 351.447 2.159 20 30 FEEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)c1ccsc1 ZINC000603271310 673920450 /nfs/dbraw/zinc/92/04/50/673920450.db2.gz MLRJLOXLUXTUFT-INIZCTEOSA-N 0 3 364.496 2.123 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC000818609392 675228563 /nfs/dbraw/zinc/22/85/63/675228563.db2.gz SQPXIBDHHABHDC-HOTGVXAUSA-N 0 3 351.491 2.093 20 30 FEEDHN Cc1cccc(OCCCNCCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000818945256 675244688 /nfs/dbraw/zinc/24/46/88/675244688.db2.gz ZAHQPYNIZBOYPU-UHFFFAOYSA-N 0 3 359.451 2.094 20 30 FEEDHN C#C[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)c1ccc(Cl)cc1F ZINC000820750142 675385022 /nfs/dbraw/zinc/38/50/22/675385022.db2.gz LAQUQOXGWRRHFE-RHSMWYFYSA-N 0 3 367.852 2.299 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(C(C)(C)C)ccc1OC ZINC000827644223 675770156 /nfs/dbraw/zinc/77/01/56/675770156.db2.gz QMINARCZYUVUTF-UHFFFAOYSA-N 0 3 352.500 2.226 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000616419009 676249636 /nfs/dbraw/zinc/24/96/36/676249636.db2.gz HASOOBYQOBUHTL-CZUORRHYSA-N 0 3 353.463 2.332 20 30 FEEDHN C=CCOc1c(Cl)cc(CNC[C@@H]2CN(C)CCN2C)cc1OC ZINC000623414033 676533964 /nfs/dbraw/zinc/53/39/64/676533964.db2.gz QVZVEFFEJUKDHF-OAHLLOKOSA-N 0 3 353.894 2.249 20 30 FEEDHN C=CCN1CCC(Nc2ccccc2S(=O)(=O)NCCCOC)CC1 ZINC000641358056 677202490 /nfs/dbraw/zinc/20/24/90/677202490.db2.gz FAJYSFVGKZCYMV-UHFFFAOYSA-N 0 3 367.515 2.064 20 30 FEEDHN C=C(C)[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000654534751 677586868 /nfs/dbraw/zinc/58/68/68/677586868.db2.gz OYSTVHIHTDMEQD-VBQJREDUSA-N 0 3 351.397 2.042 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](Cn2ccnn2)C1 ZINC000661142563 678440763 /nfs/dbraw/zinc/44/07/63/678440763.db2.gz WXJFSSHACCDCRF-CVEARBPZSA-N 0 3 359.499 2.265 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CNCc2csnc2OC)C1 ZINC001026849767 680350138 /nfs/dbraw/zinc/35/01/38/680350138.db2.gz FDFHJIVCOMOHRX-BMFZPTHFSA-N 0 3 365.499 2.071 20 30 FEEDHN N#Cc1cc(Cl)c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(Cl)c1 ZINC000754412285 680354805 /nfs/dbraw/zinc/35/48/05/680354805.db2.gz MGEXWLZYRKJXIP-NWDGAFQWSA-N 0 3 354.237 2.458 20 30 FEEDHN CC[C@@H](C(=O)N1CC[C@H]2CN(c3nc(C#N)c(Cl)s3)C[C@H]21)N(C)C ZINC001040670475 680482542 /nfs/dbraw/zinc/48/25/42/680482542.db2.gz FWXQEIXCBDTEMC-WCFLWFBJSA-N 0 3 367.906 2.045 20 30 FEEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 ZINC001004548234 680559901 /nfs/dbraw/zinc/55/99/01/680559901.db2.gz QRLURCNOWAMPGO-IKGGRYGDSA-N 0 3 367.921 2.166 20 30 FEEDHN C=C(Cl)CN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001045946896 680642105 /nfs/dbraw/zinc/64/21/05/680642105.db2.gz DMPXBXLDXOHHNT-LMMKCTJWSA-N 0 3 369.937 2.163 20 30 FEEDHN CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1 ZINC001046038001 680643076 /nfs/dbraw/zinc/64/30/76/680643076.db2.gz FLGPRALGOMZTLA-GBESFXJTSA-N 0 3 357.523 2.093 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](CNCc2ccsc2)C1 ZINC001051867939 681070500 /nfs/dbraw/zinc/07/05/00/681070500.db2.gz QKXMMIIZRXDCGG-IKGGRYGDSA-N 0 3 350.484 2.046 20 30 FEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](CC#N)C(F)(F)F)cc1 ZINC000932903147 681325754 /nfs/dbraw/zinc/32/57/54/681325754.db2.gz OXFVQSNDBZQSRR-ZIAGYGMSSA-N 0 3 358.364 2.442 20 30 FEEDHN N#CC[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C(F)(F)F ZINC000932925571 681329377 /nfs/dbraw/zinc/32/93/77/681329377.db2.gz RZCFGUJGNFEVPO-GFCCVEGCSA-N 0 3 364.437 2.492 20 30 FEEDHN FC1(F)[C@H]2CN(CCc3c[nH]nn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941911 681331818 /nfs/dbraw/zinc/33/18/18/681331818.db2.gz DUEVILIGMITNQS-OCAPTIKFSA-N 0 3 364.240 2.450 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933449876 681415294 /nfs/dbraw/zinc/41/52/94/681415294.db2.gz RIKFJXBFQHHAOY-ROUUACIJSA-N 0 3 351.878 2.278 20 30 FEEDHN CN1CCN(c2ccc(NC(=O)[C@H](N)CCCCC#N)cc2Cl)CC1 ZINC000848414894 681536632 /nfs/dbraw/zinc/53/66/32/681536632.db2.gz FOMNURDBAAHHAZ-MRXNPFEDSA-N 0 3 363.893 2.442 20 30 FEEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H](C(N)=O)C1 ZINC000778291786 681593449 /nfs/dbraw/zinc/59/34/49/681593449.db2.gz YJUNMADPYJZUGG-DYEKYZERSA-N 0 3 356.451 2.058 20 30 FEEDHN C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000779355100 681708115 /nfs/dbraw/zinc/70/81/15/681708115.db2.gz ZGPWYSZSBNOFDR-ZBFHGGJFSA-N 0 3 351.447 2.347 20 30 FEEDHN CC(=O)N[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1cccs1 ZINC000916895235 685528530 /nfs/dbraw/zinc/52/85/30/685528530.db2.gz HKYMYYIJOGLYOX-LSDHHAIUSA-N 0 3 361.467 2.473 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000852126475 682224297 /nfs/dbraw/zinc/22/42/97/682224297.db2.gz BYLYWBKVQZXBCN-CQSZACIVSA-N 0 3 354.495 2.191 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000852357430 682265914 /nfs/dbraw/zinc/26/59/14/682265914.db2.gz BECGAWAAXVFHTO-INIZCTEOSA-N 0 3 362.905 2.421 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000852359122 682266315 /nfs/dbraw/zinc/26/63/15/682266315.db2.gz CRRVBILBGXVYCH-CQSZACIVSA-N 0 3 358.269 2.281 20 30 FEEDHN CN(Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000971718396 682369389 /nfs/dbraw/zinc/36/93/89/682369389.db2.gz DRNSAURSIRIOSL-DAXOMENPSA-N 0 3 355.467 2.179 20 30 FEEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000790542525 682684444 /nfs/dbraw/zinc/68/44/44/682684444.db2.gz KAGJBNHEFPQBQG-HOTGVXAUSA-N 0 3 352.356 2.036 20 30 FEEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000790542535 682684510 /nfs/dbraw/zinc/68/45/10/682684510.db2.gz KAGJBNHEFPQBQG-JKSUJKDBSA-N 0 3 352.356 2.036 20 30 FEEDHN CN1CCC(CCO)(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790859923 682707687 /nfs/dbraw/zinc/70/76/87/682707687.db2.gz XPDCUWHWJDQBGX-UHFFFAOYSA-N 0 3 354.372 2.020 20 30 FEEDHN C#CC[C@@H](COC)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000858409672 682965963 /nfs/dbraw/zinc/96/59/63/682965963.db2.gz DYCOYWOULADGBY-NFOMZHRRSA-N 0 3 361.408 2.129 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000926127316 683080062 /nfs/dbraw/zinc/08/00/62/683080062.db2.gz WXISLUTXKMRKAF-HNNXBMFYSA-N 0 3 372.531 2.499 20 30 FEEDHN C#CCN(C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CCN(C)CC1 ZINC000926402610 683120784 /nfs/dbraw/zinc/12/07/84/683120784.db2.gz JSNRGBYQLZCPOX-LSDHHAIUSA-N 0 3 361.408 2.225 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cn(C(C)C)nn2)cc1Cl ZINC000796745827 683192337 /nfs/dbraw/zinc/19/23/37/683192337.db2.gz MVKGHYGXXRAHRF-NSHDSACASA-N 0 3 361.789 2.482 20 30 FEEDHN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796790198 683195912 /nfs/dbraw/zinc/19/59/12/683195912.db2.gz QGCCSXBGAOKGRG-GXTWGEPZSA-N 0 3 351.447 2.305 20 30 FEEDHN Cc1nnc(COCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000796800392 683196734 /nfs/dbraw/zinc/19/67/34/683196734.db2.gz TZHGXXIHPWEZHV-SNVBAGLBSA-N 0 3 364.814 2.364 20 30 FEEDHN CC(C)(C#N)CS(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000919896541 683305969 /nfs/dbraw/zinc/30/59/69/683305969.db2.gz XWWBFRZBOVJILX-ZWKOTPCHSA-N 0 3 361.511 2.320 20 30 FEEDHN C=CCN1CC[C@@H](N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1=O ZINC000799121611 683424470 /nfs/dbraw/zinc/42/44/70/683424470.db2.gz HXMNNSXDCBTFMH-GDBMZVCRSA-N 0 3 351.491 2.399 20 30 FEEDHN C#CCN(C(=O)NC[C@]1(C)OCCc2sccc21)C1CCN(C)CC1 ZINC000922530077 683741853 /nfs/dbraw/zinc/74/18/53/683741853.db2.gz BBIRBWDNAJDDSH-IBGZPJMESA-N 0 3 361.511 2.275 20 30 FEEDHN C=CCOc1c(Cl)cc(CNC[C@H](O)c2ccnn2C)cc1OC ZINC000922970655 683813493 /nfs/dbraw/zinc/81/34/93/683813493.db2.gz QSNDKBOLRQBCDV-HNNXBMFYSA-N 0 3 351.834 2.470 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/CCCN2CCCS2(=O)=O)c([O-])c1 ZINC000864347464 683840762 /nfs/dbraw/zinc/84/07/62/683840762.db2.gz RBRNKRDRKNJLFJ-NBVRZTHBSA-N 0 3 353.488 2.083 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000876613630 686228673 /nfs/dbraw/zinc/22/86/73/686228673.db2.gz GGGHKJOTKPRTOQ-DVOMOZLQSA-N 0 3 365.861 2.344 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC ZINC000876626249 686231327 /nfs/dbraw/zinc/23/13/27/686231327.db2.gz TUQOWMDJGBQSLI-CYBMUJFWSA-N 0 3 351.834 2.340 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000876629825 686232805 /nfs/dbraw/zinc/23/28/05/686232805.db2.gz NOJHPYRZNAEWBY-KRWDZBQOSA-N 0 3 363.889 2.320 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000876631992 686233325 /nfs/dbraw/zinc/23/33/25/686233325.db2.gz PCKWMDOGQWAJFB-KBPBESRZSA-N 0 3 354.813 2.018 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000876897947 686290428 /nfs/dbraw/zinc/29/04/28/686290428.db2.gz OKKJOAJBXYLIGN-AWEZNQCLSA-N 0 3 368.861 2.110 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000877013120 686309672 /nfs/dbraw/zinc/30/96/72/686309672.db2.gz KHLXZZIOXDICIB-GJZGRUSLSA-N 0 3 358.269 2.131 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000877082112 686323393 /nfs/dbraw/zinc/32/33/93/686323393.db2.gz WGKUUFKANXCXGL-CQSZACIVSA-N 0 3 353.850 2.087 20 30 FEEDHN COCCOc1c(Cl)cccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884105925 687790237 /nfs/dbraw/zinc/79/02/37/687790237.db2.gz BDPXPMRRTPTEIU-YNAXMUEKSA-N 0 3 363.845 2.443 20 30 FEEDHN COCCOc1c(Cl)cccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884105924 687790504 /nfs/dbraw/zinc/79/05/04/687790504.db2.gz BDPXPMRRTPTEIU-XYEKJYRLSA-N 0 3 363.845 2.443 20 30 FEEDHN CCNC(=O)c1cc(Cl)ccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884121383 687794586 /nfs/dbraw/zinc/79/45/86/687794586.db2.gz NJJWLVPUTLMLTG-LASWEOPPSA-N 0 3 360.845 2.168 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCN(c3ccccc3Cl)CC1)C2 ZINC000884175776 687807697 /nfs/dbraw/zinc/80/76/97/687807697.db2.gz HNAJARBERIWNJJ-HVEKOLDVSA-N 0 3 358.873 2.128 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCOc1ncc(Cl)cc1Cl)C2 ZINC000884233320 687825690 /nfs/dbraw/zinc/82/56/90/687825690.db2.gz NZLRGJXFOQVJQG-CSJGVYOVSA-N 0 3 369.252 2.023 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)C2 ZINC000884377629 687858195 /nfs/dbraw/zinc/85/81/95/687858195.db2.gz QEHISTAHHKZSCO-BHEGOAEISA-N 0 3 359.495 2.395 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N(Cc1cccs1)C[C@H]1CCCO1)C2 ZINC000884377630 687858628 /nfs/dbraw/zinc/85/86/28/687858628.db2.gz QEHISTAHHKZSCO-BWRBCVJASA-N 0 3 359.495 2.395 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000886562598 688275134 /nfs/dbraw/zinc/27/51/34/688275134.db2.gz CRPJBWSIRVUYFM-INIZCTEOSA-N 0 3 354.372 2.200 20 30 FEEDHN C#CCN(C(=O)CC[C@H](C)NC(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886577264 688279098 /nfs/dbraw/zinc/27/90/98/688279098.db2.gz BWSKWTNEVXSJCV-HNNXBMFYSA-N 0 3 351.491 2.236 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1nc(C#N)cs1 ZINC000894231967 689491181 /nfs/dbraw/zinc/49/11/81/689491181.db2.gz AOXKLFWLWMGWJO-CZUORRHYSA-N 0 3 355.467 2.334 20 30 FEEDHN CC[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(C#N)c1 ZINC000902863399 690814710 /nfs/dbraw/zinc/81/47/10/690814710.db2.gz YPTNVFCFGXETTF-ZWKOTPCHSA-N 0 3 365.499 2.087 20 30 FEEDHN C=C(CCN(C)C)C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 ZINC000908448168 691680772 /nfs/dbraw/zinc/68/07/72/691680772.db2.gz WISFAGAIJOZYQJ-UHFFFAOYSA-N 0 3 366.483 2.086 20 30 FEEDHN Cc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(C=NO)c1 ZINC001164877037 721123335 /nfs/dbraw/zinc/12/33/35/721123335.db2.gz OFEXVUDMUYUOPJ-MOPGFXCFSA-N 0 3 367.453 2.073 20 30 FEEDHN Cc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1CC#N ZINC001164880933 721156208 /nfs/dbraw/zinc/15/62/08/721156208.db2.gz XWMRUFATBLHSFS-VQTJNVASSA-N 0 3 363.465 2.331 20 30 FEEDHN Cc1cc(C#N)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980351 722150167 /nfs/dbraw/zinc/15/01/67/722150167.db2.gz NEEFZUIUTZFUSB-PMACEKPBSA-N 0 3 363.465 2.384 20 30 FEEDHN Cn1cc(CNC[C@@H]2CN3CCCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998504 210204908 /nfs/dbraw/zinc/20/49/08/210204908.db2.gz XDQWURAMHSJKFN-WOJBJXKFSA-N 0 3 365.481 2.302 20 30 FEEDHN Cn1cc(CNC[C@H]2CN3CCCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998502 210204649 /nfs/dbraw/zinc/20/46/49/210204649.db2.gz XDQWURAMHSJKFN-UXHICEINSA-N 0 3 365.481 2.302 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)CN3CCCCC3)cc2C1=O ZINC000027751192 539816643 /nfs/dbraw/zinc/81/66/43/539816643.db2.gz SYSJSLPOYFCLFG-CQSZACIVSA-N 0 3 355.438 2.073 20 30 FEEDHN Cc1sc(NC(=O)CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c(C#N)c1C ZINC000550141621 674083270 /nfs/dbraw/zinc/08/32/70/674083270.db2.gz ZVPGUIHFCVUERJ-FUHWJXTLSA-N 0 3 363.483 2.085 20 30 FEEDHN C=CCOc1ccc(C(=O)NCCCN2CCN(CC)CC2)cc1OC ZINC000041442488 540021558 /nfs/dbraw/zinc/02/15/58/540021558.db2.gz HOHXBVGRHLTWOF-UHFFFAOYSA-N 0 3 361.486 2.017 20 30 FEEDHN CC(=O)Nc1ccc(OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000042123115 540052275 /nfs/dbraw/zinc/05/22/75/540052275.db2.gz GSRUYHUKFFCASM-IBGZPJMESA-N 0 3 353.422 2.388 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000046380715 540254791 /nfs/dbraw/zinc/25/47/91/540254791.db2.gz XQJMPSMPIYCXJS-MRXNPFEDSA-N 0 3 373.476 2.261 20 30 FEEDHN CC(=O)NC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000050991374 540418326 /nfs/dbraw/zinc/41/83/26/540418326.db2.gz IDBNYDBAJPEZLJ-UHFFFAOYSA-N 0 3 360.483 2.038 20 30 FEEDHN CCCCNC(=O)[C@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000051581396 540438690 /nfs/dbraw/zinc/43/86/90/540438690.db2.gz PPCSUGZUBPJMGB-OALUTQOASA-N 0 3 373.497 2.121 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000054286798 540580832 /nfs/dbraw/zinc/58/08/32/540580832.db2.gz ULANWCGWGMEQSE-CQSZACIVSA-N 0 3 372.513 2.423 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000054286798 540580835 /nfs/dbraw/zinc/58/08/35/540580835.db2.gz ULANWCGWGMEQSE-CQSZACIVSA-N 0 3 372.513 2.423 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000057154062 540773389 /nfs/dbraw/zinc/77/33/89/540773389.db2.gz RRLWWAXUIUQFDU-SFHVURJKSA-N 0 3 354.429 2.110 20 30 FEEDHN COCc1nc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000065065382 541224886 /nfs/dbraw/zinc/22/48/86/541224886.db2.gz BYCHIGVMMQKCDX-UHFFFAOYSA-N 0 3 358.467 2.365 20 30 FEEDHN CN(C)[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 ZINC000066239666 541293612 /nfs/dbraw/zinc/29/36/12/541293612.db2.gz YGLALBJECONHEA-IBGZPJMESA-N 0 3 374.448 2.359 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000066641257 541353398 /nfs/dbraw/zinc/35/33/98/541353398.db2.gz FSYDIYWLEOPLLK-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000067568003 541482106 /nfs/dbraw/zinc/48/21/06/541482106.db2.gz XIOBLOATZGIGJR-QGZVFWFLSA-N 0 3 357.454 2.277 20 30 FEEDHN Cc1noc(C)c1CON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000068776660 541626419 /nfs/dbraw/zinc/62/64/19/541626419.db2.gz CWQAICZODXROJL-UHFFFAOYSA-N 0 3 358.442 2.085 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000073707213 541989072 /nfs/dbraw/zinc/98/90/72/541989072.db2.gz DJZUWRRORMRDAH-SFHVURJKSA-N 0 3 369.465 2.097 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)CC1 ZINC000076141462 542236785 /nfs/dbraw/zinc/23/67/85/542236785.db2.gz ADASOKOMJQHCTA-QGZVFWFLSA-N 0 3 367.453 2.290 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCCN1CCN(C)CC1 ZINC000077644309 542404360 /nfs/dbraw/zinc/40/43/60/542404360.db2.gz NWBAWILDIXZIJJ-UHFFFAOYSA-N 0 3 369.513 2.283 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)nn2C(C)(C)C)CC1 ZINC000077759522 542415994 /nfs/dbraw/zinc/41/59/94/542415994.db2.gz ROFHWBSDMKCLHB-UHFFFAOYSA-N 0 3 361.490 2.042 20 30 FEEDHN C#CCNC(=O)[C@H](C)N[C@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801959047 674157014 /nfs/dbraw/zinc/15/70/14/674157014.db2.gz FXKHXBFSPFAGRR-ZLIFDBKOSA-N 0 3 351.853 2.342 20 30 FEEDHN C=CCOCCCC(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000079862163 542545728 /nfs/dbraw/zinc/54/57/28/542545728.db2.gz FTYPBEANDQYLMI-KRWDZBQOSA-N 0 3 359.470 2.305 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000080079321 542563151 /nfs/dbraw/zinc/56/31/51/542563151.db2.gz FESALGGZZXMGRQ-IBGZPJMESA-N 0 3 355.482 2.253 20 30 FEEDHN CN(C)Cc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000091626802 542816615 /nfs/dbraw/zinc/81/66/15/542816615.db2.gz AIWYQYFLXIJFFA-UHFFFAOYSA-N 0 3 355.446 2.022 20 30 FEEDHN CCN1CCN([C@H]2CCN(Cc3ccc(N(C)CCC#N)cc3)C2)CC1 ZINC000093133173 542911305 /nfs/dbraw/zinc/91/13/05/542911305.db2.gz GZBLVIURDMLAQO-NRFANRHFSA-N 0 3 355.530 2.248 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O ZINC000105316075 543170726 /nfs/dbraw/zinc/17/07/26/543170726.db2.gz YPYHNTUFIGNXRQ-SJLPKXTDSA-N 0 3 354.454 2.024 20 30 FEEDHN N#C[C@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCO1 ZINC000106324249 543222898 /nfs/dbraw/zinc/22/28/98/543222898.db2.gz IIGHMZFXPVJIBA-KRWDZBQOSA-N 0 3 360.483 2.034 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OCC)CC1 ZINC000106349151 543224790 /nfs/dbraw/zinc/22/47/90/543224790.db2.gz OREXSSGDZGXFEP-UHFFFAOYSA-N 0 3 363.433 2.320 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000108617690 543298221 /nfs/dbraw/zinc/29/82/21/543298221.db2.gz UJYARQCMLKFGKS-KRWDZBQOSA-N 0 3 357.454 2.181 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000108934000 543309057 /nfs/dbraw/zinc/30/90/57/543309057.db2.gz CYZCYFAJLMFZJE-CQSZACIVSA-N 0 3 360.454 2.235 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](N2CCCC2=O)C1 ZINC000111696442 543412980 /nfs/dbraw/zinc/41/29/80/543412980.db2.gz OJGUONTZRGRBNT-RBUKOAKNSA-N 0 3 358.482 2.242 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc2cc(C)ccn2c1=O)C(C)C ZINC000112919898 543468347 /nfs/dbraw/zinc/46/83/47/543468347.db2.gz YJHYKZPVJFFQCZ-SFHVURJKSA-N 0 3 368.481 2.431 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](C(C)C)CC3)CC2)o1 ZINC000114729059 543534077 /nfs/dbraw/zinc/53/40/77/543534077.db2.gz WYVXMJZYRKPYIW-QGZVFWFLSA-N 0 3 373.501 2.261 20 30 FEEDHN N#Cc1ccc([C@H](NCC2(N3CCSCC3)CCCCC2)C(N)=O)cc1 ZINC000115600168 543577966 /nfs/dbraw/zinc/57/79/66/543577966.db2.gz KGKLWNQAKFAHCX-SFHVURJKSA-N 0 3 372.538 2.426 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CCCN(C2CC2)CC1 ZINC000116194744 543604133 /nfs/dbraw/zinc/60/41/33/543604133.db2.gz JVICQKAVRCMXRR-UHFFFAOYSA-N 0 3 357.454 2.423 20 30 FEEDHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000118113910 543645927 /nfs/dbraw/zinc/64/59/27/543645927.db2.gz NLWWFZYRTGEISZ-MRXNPFEDSA-N 0 3 360.433 2.407 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](CO)c2ccc(OC)cc2)CC1 ZINC000120709784 543683687 /nfs/dbraw/zinc/68/36/87/543683687.db2.gz BRDBJDRHCXWOIG-LJQANCHMSA-N 0 3 361.486 2.411 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000118898985 543661864 /nfs/dbraw/zinc/66/18/64/543661864.db2.gz YXSRGFOMCATKJQ-LSDHHAIUSA-N 0 3 374.510 2.477 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](Cn2ccnn2)C1 ZINC000119449335 543667815 /nfs/dbraw/zinc/66/78/15/543667815.db2.gz LLRWGLOJBZNXCF-PKOBYXMFSA-N 0 3 356.470 2.159 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(NC(=O)C3CCOCC3)CC2)cc1 ZINC000120079050 543675479 /nfs/dbraw/zinc/67/54/79/543675479.db2.gz CXKCQUTZQAVTJY-INIZCTEOSA-N 0 3 371.481 2.485 20 30 FEEDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCN1C ZINC000120551275 543681300 /nfs/dbraw/zinc/68/13/00/543681300.db2.gz KKSPADLPURQOSF-DOTOQJQBSA-N 0 3 372.469 2.249 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3cnn(CC)c3c2)CC1 ZINC000124544229 543828430 /nfs/dbraw/zinc/82/84/30/543828430.db2.gz QSYYIQCRKLCANT-UHFFFAOYSA-N 0 3 369.469 2.151 20 30 FEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000126273318 543927329 /nfs/dbraw/zinc/92/73/29/543927329.db2.gz SBIUOBPXFCJHKZ-ZWKOTPCHSA-N 0 3 366.527 2.312 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1 ZINC000125647570 543893593 /nfs/dbraw/zinc/89/35/93/543893593.db2.gz FYEBJMIGXKTTNU-ABAIWWIYSA-N 0 3 357.426 2.187 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125656389 543894397 /nfs/dbraw/zinc/89/43/97/543894397.db2.gz QIWBYNZAQVLYFB-JTQLQIEISA-N 0 3 373.379 2.008 20 30 FEEDHN N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c(F)c1 ZINC000125707478 543897507 /nfs/dbraw/zinc/89/75/07/543897507.db2.gz CQYSWBPIJUFFBM-ZDUSSCGKSA-N 0 3 369.437 2.333 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCCN2S(C)(=O)=O)c([O-])c1 ZINC000133106633 544256606 /nfs/dbraw/zinc/25/66/06/544256606.db2.gz OKFSXRHFMBPVCW-YAJBTMAUSA-N 0 3 353.488 2.081 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000143556363 544423729 /nfs/dbraw/zinc/42/37/29/544423729.db2.gz ZHGMOUZCZZLEKU-UHFFFAOYSA-N 0 3 373.460 2.382 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)CC1 ZINC000152430134 544653121 /nfs/dbraw/zinc/65/31/21/544653121.db2.gz CEMDFDBCQXZEEO-UHFFFAOYSA-N 0 3 370.375 2.196 20 30 FEEDHN Cc1cccc(C)c1NC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153328478 544762629 /nfs/dbraw/zinc/76/26/29/544762629.db2.gz GCGLQKYZPBTZAH-AWEZNQCLSA-N 0 3 354.458 2.372 20 30 FEEDHN CC[C@@H](NCCOc1ccccc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000183031640 327798407 /nfs/dbraw/zinc/79/84/07/327798407.db2.gz HFDCXVSXWZQGAR-QGZVFWFLSA-N 0 3 359.451 2.325 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000185488665 327919136 /nfs/dbraw/zinc/91/91/36/327919136.db2.gz XGZFFOJUGGIWQK-UHFFFAOYSA-N 0 3 351.472 2.108 20 30 FEEDHN CCN(CCC[NH+]1CCCC1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000188105380 328066257 /nfs/dbraw/zinc/06/62/57/328066257.db2.gz NKEUQSMDNGVIGQ-UHFFFAOYSA-N 0 3 358.486 2.130 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)cc1C#N ZINC000188243937 328075281 /nfs/dbraw/zinc/07/52/81/328075281.db2.gz ASCUURDRYIZEKA-UHFFFAOYSA-N 0 3 372.469 2.227 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)c1C#N ZINC000189385289 328144826 /nfs/dbraw/zinc/14/48/26/328144826.db2.gz WJAUSOVZQYEWCB-MRXNPFEDSA-N 0 3 354.454 2.282 20 30 FEEDHN COC(=O)Cn1ncc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000192990180 328351008 /nfs/dbraw/zinc/35/10/08/328351008.db2.gz GTTVLVGZSPROSD-UHFFFAOYSA-N 0 3 367.453 2.313 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000043977546 324554132 /nfs/dbraw/zinc/55/41/32/324554132.db2.gz OSRFYOSHXGFJMQ-UHFFFAOYSA-N 0 3 366.465 2.174 20 30 FEEDHN CCCNC(=O)C1(NC[C@H](O)COc2ccc(C#N)cc2)CCCCC1 ZINC000078656225 325056783 /nfs/dbraw/zinc/05/67/83/325056783.db2.gz ZETMBSCKTVOMII-KRWDZBQOSA-N 0 3 359.470 2.117 20 30 FEEDHN CCCC[C@H](C(=O)Nc1cc(C)on1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089943452 325343782 /nfs/dbraw/zinc/34/37/82/325343782.db2.gz VQZWPWMJOWXKDS-OAHLLOKOSA-N 0 3 373.461 2.222 20 30 FEEDHN Cc1noc(C)c1CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000107395498 325627781 /nfs/dbraw/zinc/62/77/81/325627781.db2.gz GCLHYGZSYRMIIB-UHFFFAOYSA-N 0 3 369.469 2.479 20 30 FEEDHN C[C@H](Oc1cccnc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000117771556 326070191 /nfs/dbraw/zinc/07/01/91/326070191.db2.gz RKHYLFJIACGUPF-INIZCTEOSA-N 0 3 352.438 2.311 20 30 FEEDHN CCCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)NC ZINC000118832515 326105731 /nfs/dbraw/zinc/10/57/31/326105731.db2.gz BCGJJTCDSSLQCV-UHFFFAOYSA-N 0 3 362.499 2.285 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000119295190 326146498 /nfs/dbraw/zinc/14/64/98/326146498.db2.gz LVVLVMOIDJRBGH-YOEHRIQHSA-N 0 3 372.469 2.083 20 30 FEEDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000152810583 326716901 /nfs/dbraw/zinc/71/69/01/326716901.db2.gz PPYGKBRSDASNJK-NRFANRHFSA-N 0 3 367.449 2.180 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000162079749 327016490 /nfs/dbraw/zinc/01/64/90/327016490.db2.gz OUJLBQBGDHCQCG-KRWDZBQOSA-N 0 3 365.474 2.477 20 30 FEEDHN CNC(=O)CC1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000175041961 327370408 /nfs/dbraw/zinc/37/04/08/327370408.db2.gz PQEYSMLFECKNFL-UHFFFAOYSA-N 0 3 362.861 2.388 20 30 FEEDHN Cc1nc(C(=O)NCCc2ccc(OCCN(C)C)cc2)ccc1C#N ZINC000264205688 329000166 /nfs/dbraw/zinc/00/01/66/329000166.db2.gz IFPLMBJPCWHULB-UHFFFAOYSA-N 0 3 352.438 2.175 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000268161137 329391957 /nfs/dbraw/zinc/39/19/57/329391957.db2.gz OMJUKSYCYSTRSF-LPHOPBHVSA-N 0 3 367.497 2.263 20 30 FEEDHN CS[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@@H]1N(C)C ZINC000271145758 329666315 /nfs/dbraw/zinc/66/63/15/329666315.db2.gz PQMBTIACEYHKKR-IRXDYDNUSA-N 0 3 374.510 2.171 20 30 FEEDHN C[C@@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)c(F)c1 ZINC000271908158 329736459 /nfs/dbraw/zinc/73/64/59/329736459.db2.gz CUFXYWRJZSNXRT-MRXNPFEDSA-N 0 3 368.460 2.350 20 30 FEEDHN C[C@@]1(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCO[C@H]1C1CC1 ZINC000273007838 329829650 /nfs/dbraw/zinc/82/96/50/329829650.db2.gz BKWVOFHEESNCLC-AZUAARDMSA-N 0 3 365.437 2.230 20 30 FEEDHN CCc1nnc(C)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000273519388 329871369 /nfs/dbraw/zinc/87/13/69/329871369.db2.gz RPWSZAPCMXQIGI-UHFFFAOYSA-N 0 3 351.454 2.423 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1N1CCCC1 ZINC000274012232 329908681 /nfs/dbraw/zinc/90/86/81/329908681.db2.gz KZGYSKMJYHXUER-BMGDILEWSA-N 0 3 358.511 2.397 20 30 FEEDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000275851364 330096219 /nfs/dbraw/zinc/09/62/19/330096219.db2.gz AEZWWAQIZOQYBV-UHFFFAOYSA-N 0 3 360.458 2.086 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCN3CCCC[C@H]3C)C2)n1 ZINC000377932280 330252898 /nfs/dbraw/zinc/25/28/98/330252898.db2.gz OEKKYTXHUKKCDX-IEBWSBKVSA-N 0 3 369.513 2.469 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)C2(C(=O)NC)CC2)[C@@H]1c1cnn(C)c1 ZINC000328626165 521614327 /nfs/dbraw/zinc/61/43/27/521614327.db2.gz LLAOMJQUUGHLQL-GOEBONIOSA-N 0 3 361.490 2.018 20 30 FEEDHN N#CC(C(=O)COCc1ccccn1)C(=O)NCc1cccc(Cl)c1 ZINC000805926025 674360511 /nfs/dbraw/zinc/36/05/11/674360511.db2.gz JSVVSBYACSZVFJ-INIZCTEOSA-N 0 3 357.797 2.277 20 30 FEEDHN CCCCN(C)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000161256557 546113667 /nfs/dbraw/zinc/11/36/67/546113667.db2.gz UXZITTKKYSERJP-UHFFFAOYSA-N 0 3 360.458 2.132 20 30 FEEDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000161259335 546113877 /nfs/dbraw/zinc/11/38/77/546113877.db2.gz SUAUPGXVLBHYNG-AWEZNQCLSA-N 0 3 360.458 2.130 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)CC1 ZINC000171737695 546223447 /nfs/dbraw/zinc/22/34/47/546223447.db2.gz BGUGOCZGJQCVAS-UHFFFAOYSA-N 0 3 372.513 2.333 20 30 FEEDHN C=CCN1CCC(NC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000171871077 546228367 /nfs/dbraw/zinc/22/83/67/546228367.db2.gz KYQWYLPRHAFIDH-UHFFFAOYSA-N 0 3 370.541 2.355 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000171870858 546228709 /nfs/dbraw/zinc/22/87/09/546228709.db2.gz TZPQCQREJYZBEF-INIZCTEOSA-N 0 3 364.534 2.221 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000171944059 546230413 /nfs/dbraw/zinc/23/04/13/546230413.db2.gz HOOYJEMMRBGDDG-GOSISDBHSA-N 0 3 374.460 2.223 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)CC1 ZINC000172908730 546270233 /nfs/dbraw/zinc/27/02/33/546270233.db2.gz CGUHLLDTQIQMFT-GOSISDBHSA-N 0 3 365.424 2.299 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(OCC(C)C)c2)CC1 ZINC000173274307 546277181 /nfs/dbraw/zinc/27/71/81/546277181.db2.gz WJGVWAVLPNXGLR-UHFFFAOYSA-N 0 3 359.470 2.427 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000173296362 546277801 /nfs/dbraw/zinc/27/78/01/546277801.db2.gz CYKRDVZLZZXWPO-GOSISDBHSA-N 0 3 357.498 2.494 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C(CC)CC)N2CCOCC2)CC1 ZINC000173579618 546283569 /nfs/dbraw/zinc/28/35/69/546283569.db2.gz INKZJZZOSVRRKT-IBGZPJMESA-N 0 3 351.535 2.280 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 ZINC000174922601 546305300 /nfs/dbraw/zinc/30/53/00/546305300.db2.gz AQEQWLPMJBZPEH-KDOFPFPSSA-N 0 3 369.465 2.319 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000175781899 546349836 /nfs/dbraw/zinc/34/98/36/546349836.db2.gz ZHFGFWFFBHKMNN-SFHVURJKSA-N 0 3 371.529 2.363 20 30 FEEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C1CCCCC1 ZINC000175948217 546377940 /nfs/dbraw/zinc/37/79/40/546377940.db2.gz CDLGZCULOSQLKW-KRWDZBQOSA-N 0 3 360.433 2.263 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175969003 546381514 /nfs/dbraw/zinc/38/15/14/546381514.db2.gz HNMPWKLKPLYMCA-HZSPNIEDSA-N 0 3 360.433 2.118 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000177535231 546638922 /nfs/dbraw/zinc/63/89/22/546638922.db2.gz OAEIIIQLRUACOU-HUUCEWRRSA-N 0 3 374.510 2.429 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1C(F)(F)F ZINC000177628877 546656025 /nfs/dbraw/zinc/65/60/25/546656025.db2.gz XVLAFCLERAADMZ-LLVKDONJSA-N 0 3 373.400 2.340 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1 ZINC000177993868 546718585 /nfs/dbraw/zinc/71/85/85/546718585.db2.gz PWXJEGAJLWRRKP-UHFFFAOYSA-N 0 3 369.462 2.142 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC([C@@H](C)NC(C)=O)CC1 ZINC000481150139 561226442 /nfs/dbraw/zinc/22/64/42/561226442.db2.gz XJMVLACLVFUQMB-UZLBHIALSA-N 0 3 360.498 2.391 20 30 FEEDHN Cn1cc(CN2CC[C@@H](CN3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180200678 547066394 /nfs/dbraw/zinc/06/63/94/547066394.db2.gz HUFARIWXRRQARN-SFHVURJKSA-N 0 3 365.481 2.113 20 30 FEEDHN C=CCNc1ncc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)s1 ZINC000180353560 547090287 /nfs/dbraw/zinc/09/02/87/547090287.db2.gz PROTZLNHLAPQKK-MRXNPFEDSA-N 0 3 372.494 2.238 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000180658835 547151760 /nfs/dbraw/zinc/15/17/60/547151760.db2.gz BOJBZUNLUGVGLE-UHFFFAOYSA-N 0 3 358.486 2.110 20 30 FEEDHN C[C@H](NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000482842245 561261217 /nfs/dbraw/zinc/26/12/17/561261217.db2.gz PQVXHPNNLMGEJA-UWVAXJGDSA-N 0 3 369.513 2.287 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2ccncc2)cc1 ZINC000483532260 561278971 /nfs/dbraw/zinc/27/89/71/561278971.db2.gz NLPCRTVZZOCPNC-ZDUSSCGKSA-N 0 3 358.423 2.132 20 30 FEEDHN CN(C(=O)c1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1)[C@@H]1CCCN(C)C1 ZINC000182162223 547446145 /nfs/dbraw/zinc/44/61/45/547446145.db2.gz WYHABFHLYRHLDG-GOSISDBHSA-N 0 3 365.437 2.305 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182807122 547555337 /nfs/dbraw/zinc/55/53/37/547555337.db2.gz OTDZIQNKWSOIIJ-ZDUSSCGKSA-N 0 3 357.380 2.301 20 30 FEEDHN N#Cc1cccc(/C=C/C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000183784222 547719599 /nfs/dbraw/zinc/71/95/99/547719599.db2.gz QDJRZYGAFVHSKQ-MHNQQFQPSA-N 0 3 361.445 2.454 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCOCC2(CCOCC2)C1 ZINC000184072291 547763867 /nfs/dbraw/zinc/76/38/67/547763867.db2.gz QZNKGVBNBLYQCG-IBGZPJMESA-N 0 3 361.482 2.284 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184617761 547855361 /nfs/dbraw/zinc/85/53/61/547855361.db2.gz YSLYOAKYIHAIAY-HZPDHXFCSA-N 0 3 359.474 2.125 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000185620953 548010422 /nfs/dbraw/zinc/01/04/22/548010422.db2.gz YGHYURAZIFVLMK-UHFFFAOYSA-N 0 3 371.485 2.379 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000190015223 548316555 /nfs/dbraw/zinc/31/65/55/548316555.db2.gz YIUUHZOPKTUBCP-QGZVFWFLSA-N 0 3 357.454 2.277 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@@H]2c2nc(C)cs2)CC1 ZINC000190175573 548319426 /nfs/dbraw/zinc/31/94/26/548319426.db2.gz KDKQZVVRYASMTG-OAHLLOKOSA-N 0 3 350.488 2.185 20 30 FEEDHN N#CC1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000190734181 548334236 /nfs/dbraw/zinc/33/42/36/548334236.db2.gz SFTBTRWZUJHAFK-LJQANCHMSA-N 0 3 356.470 2.223 20 30 FEEDHN COc1ccc(O)c(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190838675 548335014 /nfs/dbraw/zinc/33/50/14/548335014.db2.gz IBUSECFLHPBDAA-SFHVURJKSA-N 0 3 351.406 2.163 20 30 FEEDHN Cc1cccn2c1ncc(C(=O)C(C#N)c1cnc3ccccc3n1)c2=O ZINC000190884024 548336020 /nfs/dbraw/zinc/33/60/20/548336020.db2.gz XWHJXNKGXNVCBE-CYBMUJFWSA-N 0 3 355.357 2.436 20 30 FEEDHN N#CCCn1ccc(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000193842516 548398564 /nfs/dbraw/zinc/39/85/64/548398564.db2.gz DKKIGQKPFZJXCF-QGZVFWFLSA-N 0 3 352.442 2.440 20 30 FEEDHN CCS[C@H]1CCCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245563197 548947622 /nfs/dbraw/zinc/94/76/22/548947622.db2.gz PMKXNWHHCRMHKF-ZWKOTPCHSA-N 0 3 366.575 2.286 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000246459462 549137567 /nfs/dbraw/zinc/13/75/67/549137567.db2.gz FQVRITARQINFCX-YQVWRLOYSA-N 0 3 356.422 2.479 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000248979846 549534215 /nfs/dbraw/zinc/53/42/15/549534215.db2.gz VCEWRWMROMICEQ-OAGGEKHMSA-N 0 3 370.453 2.001 20 30 FEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000249163888 549564649 /nfs/dbraw/zinc/56/46/49/549564649.db2.gz JUAWFAKLDCNKKK-MAUKXSAKSA-N 0 3 372.469 2.106 20 30 FEEDHN COCCN(C)CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000263708415 549923273 /nfs/dbraw/zinc/92/32/73/549923273.db2.gz CZDVBGVMMGORKH-UHFFFAOYSA-N 0 3 357.410 2.038 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C(=O)OC)CC1)C(C)C ZINC000265188340 550007576 /nfs/dbraw/zinc/00/75/76/550007576.db2.gz ZJJHCIOOODUOIB-QGZVFWFLSA-N 0 3 351.491 2.280 20 30 FEEDHN CC(C)[C@H](C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)N(C)C ZINC000268510557 550079184 /nfs/dbraw/zinc/07/91/84/550079184.db2.gz RUGJKQJLPBGAIF-GOSISDBHSA-N 0 3 356.470 2.322 20 30 FEEDHN CC(C)N1CCN(C2CCN(C(=O)NCc3cccc(C#N)c3)CC2)CC1 ZINC000270586158 550286863 /nfs/dbraw/zinc/28/68/63/550286863.db2.gz JHQAIFWZEZQERQ-UHFFFAOYSA-N 0 3 369.513 2.258 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN(C)CCc2cnccn2)c(OC)c1 ZINC000271345259 550367171 /nfs/dbraw/zinc/36/71/71/550367171.db2.gz NSXXJHMWOKPOOG-SFHVURJKSA-N 0 3 357.454 2.128 20 30 FEEDHN CC(C)CS(=O)(=O)N1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000272045912 550418613 /nfs/dbraw/zinc/41/86/13/550418613.db2.gz WWZVTGFJGBBAOC-UHFFFAOYSA-N 0 3 353.463 2.237 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H]2C1 ZINC000272620330 550461172 /nfs/dbraw/zinc/46/11/72/550461172.db2.gz LSHUPPZSWHFXLN-MAUKXSAKSA-N 0 3 354.454 2.220 20 30 FEEDHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(C)(C#N)CC1 ZINC000272619718 550461322 /nfs/dbraw/zinc/46/13/22/550461322.db2.gz UORPPRUWURCOJX-PKOBYXMFSA-N 0 3 354.498 2.391 20 30 FEEDHN C#CCN(C(=O)NCc1ccccc1CN1CCN(CC)CC1)C1CC1 ZINC000274128892 550524381 /nfs/dbraw/zinc/52/43/81/550524381.db2.gz OTFOGSFWYJMDQD-UHFFFAOYSA-N 0 3 354.498 2.131 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CCN(C)C1CC1 ZINC000274451279 550538316 /nfs/dbraw/zinc/53/83/16/550538316.db2.gz FGRYTNABDJNKGA-MRXNPFEDSA-N 0 3 358.486 2.356 20 30 FEEDHN CN(C)C1(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCC1 ZINC000276002752 550575621 /nfs/dbraw/zinc/57/56/21/550575621.db2.gz OUUZZPJOFDINCB-UHFFFAOYSA-N 0 3 356.470 2.314 20 30 FEEDHN Cc1ncc(CO)c(/C=N/C[C@@H]2CN(Cc3ccccc3)CCCO2)c1O ZINC000277519290 550680068 /nfs/dbraw/zinc/68/00/68/550680068.db2.gz VAAXLJTYBNMBAY-VVJWVBNBSA-N 0 3 369.465 2.298 20 30 FEEDHN C[C@H]1CN(CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCCO1 ZINC000277641608 550695615 /nfs/dbraw/zinc/69/56/15/550695615.db2.gz SAKGPHOFUSSQPR-INIZCTEOSA-N 0 3 359.470 2.333 20 30 FEEDHN CC(C)(C)[S@@](=O)CCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278570219 550800004 /nfs/dbraw/zinc/80/00/04/550800004.db2.gz DNOYOBCVRHSYIW-VWLOTQADSA-N 0 3 359.499 2.496 20 30 FEEDHN C[C@@](O)(CNCc1cn(CCC#N)nc1-c1ccncc1)C(F)(F)F ZINC000278656309 550808672 /nfs/dbraw/zinc/80/86/72/550808672.db2.gz MTMXEVAIGDQKGB-OAHLLOKOSA-N 0 3 353.348 2.262 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000279001011 550845450 /nfs/dbraw/zinc/84/54/50/550845450.db2.gz KLLNFDJNXZCXFQ-WOJBJXKFSA-N 0 3 358.482 2.241 20 30 FEEDHN CN(CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000279221808 550866353 /nfs/dbraw/zinc/86/63/53/550866353.db2.gz CWUPSVZBPWIKJB-OAHLLOKOSA-N 0 3 352.360 2.241 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000279278348 550872763 /nfs/dbraw/zinc/87/27/63/550872763.db2.gz ODDAWOKVLGOILI-KURKYZTESA-N 0 3 360.479 2.269 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCNC(=O)c2cccs2)cc1 ZINC000279393387 550885168 /nfs/dbraw/zinc/88/51/68/550885168.db2.gz UMFPGNDIVWOUKY-INIZCTEOSA-N 0 3 366.446 2.238 20 30 FEEDHN COCCOC[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279438726 550890340 /nfs/dbraw/zinc/89/03/40/550890340.db2.gz RDLWNIDLXCSCMT-KRWDZBQOSA-N 0 3 369.469 2.344 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000279658208 550913750 /nfs/dbraw/zinc/91/37/50/550913750.db2.gz YHQPEGKVXCYKRN-HXUWFJFHSA-N 0 3 374.444 2.394 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3ccccc3O)CC2)cc1 ZINC000279867658 550937399 /nfs/dbraw/zinc/93/73/99/550937399.db2.gz HKRAQJDDTNRCRK-SFHVURJKSA-N 0 3 360.417 2.295 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(N3CCCCC3=O)CC2)cc1 ZINC000280084237 550959282 /nfs/dbraw/zinc/95/92/82/550959282.db2.gz OAOQKBCNZPCDEQ-GOSISDBHSA-N 0 3 364.449 2.244 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000280172597 550967916 /nfs/dbraw/zinc/96/79/16/550967916.db2.gz CKMBFCOWZHLBRQ-FUHIMQAGSA-N 0 3 368.481 2.246 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[S@](=O)Cc2ccccc2)cc1 ZINC000280262653 550975118 /nfs/dbraw/zinc/97/51/18/550975118.db2.gz CLUXUZRISPPTAM-BCHFMIIMSA-N 0 3 365.458 2.306 20 30 FEEDHN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280584959 551010126 /nfs/dbraw/zinc/01/01/26/551010126.db2.gz WHOKMJIDUQQKNK-KZNAEPCWSA-N 0 3 352.438 2.004 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1c2ccccc2n(C)c1=O)C(C)C ZINC000496029745 561491791 /nfs/dbraw/zinc/49/17/91/561491791.db2.gz SGMNMJLJNSLJDZ-IBGZPJMESA-N 0 3 370.497 2.155 20 30 FEEDHN CNC(=O)[C@@]1(C)CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000281260603 551078692 /nfs/dbraw/zinc/07/86/92/551078692.db2.gz VKTBFAGKKRDTCJ-UTKZUKDTSA-N 0 3 370.497 2.397 20 30 FEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CC(F)F ZINC000281473658 551101863 /nfs/dbraw/zinc/10/18/63/551101863.db2.gz GUHZWHSGCDUVIU-DLBZAZTESA-N 0 3 360.408 2.428 20 30 FEEDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282784170 551270088 /nfs/dbraw/zinc/27/00/88/551270088.db2.gz XGGRNPUOVQOOLX-NSHDSACASA-N 0 3 361.389 2.149 20 30 FEEDHN COC(=O)Cc1occc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000283161432 551321714 /nfs/dbraw/zinc/32/17/14/551321714.db2.gz VREDQJUSRRSBFP-UHFFFAOYSA-N 0 3 369.421 2.071 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H](C)c1cccnc1)C(C)C ZINC000283226166 551332383 /nfs/dbraw/zinc/33/23/83/551332383.db2.gz VEDVUJNTLIXQQU-SJLPKXTDSA-N 0 3 358.486 2.074 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H](CC)c2ccccc2)CC1 ZINC000284401033 551541825 /nfs/dbraw/zinc/54/18/25/551541825.db2.gz ZNWXOPAPOARIFM-KRWDZBQOSA-N 0 3 357.498 2.453 20 30 FEEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000284801097 551636887 /nfs/dbraw/zinc/63/68/87/551636887.db2.gz KMOIQCLPERTUHN-INIZCTEOSA-N 0 3 356.430 2.230 20 30 FEEDHN C=CCCO[C@H](C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000498566494 561528900 /nfs/dbraw/zinc/52/89/00/561528900.db2.gz KMFIOSUVQXSETA-OAHLLOKOSA-N 0 3 359.470 2.304 20 30 FEEDHN COCc1ncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)s1 ZINC000285092466 551703661 /nfs/dbraw/zinc/70/36/61/551703661.db2.gz KNYFQJOGAYIJNA-UHFFFAOYSA-N 0 3 358.467 2.365 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2Cc3ccccc3C[C@@H]2CC)CC1 ZINC000286510759 551894417 /nfs/dbraw/zinc/89/44/17/551894417.db2.gz KXUZKQHUEHBKKM-IBGZPJMESA-N 0 3 355.482 2.117 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000286737955 551920563 /nfs/dbraw/zinc/92/05/63/551920563.db2.gz RZYNISRMEWAOLX-DOTOQJQBSA-N 0 3 373.472 2.297 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(CC)Cc2ccccc2Cl)CC1 ZINC000286758827 551922708 /nfs/dbraw/zinc/92/27/08/551922708.db2.gz TYWGCPMWDLYUDG-UHFFFAOYSA-N 0 3 363.889 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)c2ccc(CC)cc2)CC1 ZINC000286828278 551930460 /nfs/dbraw/zinc/93/04/60/551930460.db2.gz WXUSAKCQCBYJRY-UHFFFAOYSA-N 0 3 371.525 2.409 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000287073858 551960068 /nfs/dbraw/zinc/96/00/68/551960068.db2.gz 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CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000289209709 552283232 /nfs/dbraw/zinc/28/32/32/552283232.db2.gz BWGUSDAISSNBNJ-MRXNPFEDSA-N 0 3 368.481 2.063 20 30 FEEDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000290050487 552419769 /nfs/dbraw/zinc/41/97/69/552419769.db2.gz MHIPFHMTMWNWRA-GFCCVEGCSA-N 0 3 350.850 2.387 20 30 FEEDHN CC(C#N)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000500934813 561586096 /nfs/dbraw/zinc/58/60/96/561586096.db2.gz QXGXSWHDOCYOAB-LLVKDONJSA-N 0 3 354.223 2.392 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(F)(F)[C@@H](CO)C1)C(C)C ZINC000291579894 552639808 /nfs/dbraw/zinc/63/98/08/552639808.db2.gz YGECUTFIQTYNKL-HZPDHXFCSA-N 0 3 359.461 2.344 20 30 FEEDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C2)C1 ZINC000292077564 552691300 /nfs/dbraw/zinc/69/13/00/552691300.db2.gz QPKJMVZGIFQSGG-OAHLLOKOSA-N 0 3 373.400 2.293 20 30 FEEDHN O=C(NCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1)C1N=CC=CC1=O ZINC000292224009 552706215 /nfs/dbraw/zinc/70/62/15/552706215.db2.gz QRYUZXXWRLNSTP-FMBJTNBESA-N 0 3 373.428 2.409 20 30 FEEDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)C2)C1 ZINC000292727136 552753122 /nfs/dbraw/zinc/75/31/22/552753122.db2.gz GGFBOEVJJFLGRF-MRXNPFEDSA-N 0 3 353.875 2.318 20 30 FEEDHN C=CCOCCN(C[C@@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000293114871 552790186 /nfs/dbraw/zinc/79/01/86/552790186.db2.gz OUFSHAYBJZXFBE-GOSISDBHSA-N 0 3 350.459 2.298 20 30 FEEDHN CN1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000293361643 552815431 /nfs/dbraw/zinc/81/54/31/552815431.db2.gz MDHIJEFYEQEWSV-GOSISDBHSA-N 0 3 360.845 2.094 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000293524386 552832220 /nfs/dbraw/zinc/83/22/20/552832220.db2.gz ZINRWKHLNQQHFH-UHFFFAOYSA-N 0 3 369.387 2.191 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000293604434 552839668 /nfs/dbraw/zinc/83/96/68/552839668.db2.gz DEIUYZTVKSTKKA-OAHLLOKOSA-N 0 3 357.454 2.278 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccccc1N(C)C(=O)c1ccco1 ZINC000294115400 552883170 /nfs/dbraw/zinc/88/31/70/552883170.db2.gz ZIEMHWZXQFLXHV-UHFFFAOYSA-N 0 3 353.422 2.241 20 30 FEEDHN CC(C)(CC#N)CS(=O)(=O)NCC1CCN(c2ccncc2)CC1 ZINC000295196661 552968756 /nfs/dbraw/zinc/96/87/56/552968756.db2.gz RVQLHLKPYLMUSR-UHFFFAOYSA-N 0 3 350.488 2.157 20 30 FEEDHN C[C@H]1CN(CC2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000295417331 553003473 /nfs/dbraw/zinc/00/34/73/553003473.db2.gz DRXHVEIPQQJAGJ-KBPBESRZSA-N 0 3 359.430 2.187 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000296993243 553239534 /nfs/dbraw/zinc/23/95/34/553239534.db2.gz SSLFWUOKUVPBSX-IAGOWNOFSA-N 0 3 351.397 2.049 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC([C@@H](F)C(=O)OCC)C1)C(C)C ZINC000297101611 553253341 /nfs/dbraw/zinc/25/33/41/553253341.db2.gz NNOJXDXFJMDMQW-IAGOWNOFSA-N 0 3 369.481 2.228 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(-c3ccccc3)on2)CC1 ZINC000298820050 553476931 /nfs/dbraw/zinc/47/69/31/553476931.db2.gz AWZQSHVRXNGFKF-UHFFFAOYSA-N 0 3 354.410 2.047 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000298874356 553483592 /nfs/dbraw/zinc/48/35/92/553483592.db2.gz LWDVEFJPHHDWMD-OLZOCXBDSA-N 0 3 373.457 2.021 20 30 FEEDHN C[C@H](C[S@@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000299064639 553510526 /nfs/dbraw/zinc/51/05/26/553510526.db2.gz SQEMJKQRWVUDMP-QVQLBTGDSA-N 0 3 353.513 2.136 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000299206418 553530640 /nfs/dbraw/zinc/53/06/40/553530640.db2.gz RGLPCEHHHJFJPW-XHSDSOJGSA-N 0 3 372.469 2.010 20 30 FEEDHN C=CCCO[C@H](C)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000299702002 553603374 /nfs/dbraw/zinc/60/33/74/553603374.db2.gz FGRKCCJJLACDDS-OAHLLOKOSA-N 0 3 350.459 2.233 20 30 FEEDHN CN1CCC[C@H](N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C1 ZINC000301254065 553636221 /nfs/dbraw/zinc/63/62/21/553636221.db2.gz DAYNMZKXISESLZ-AWEZNQCLSA-N 0 3 353.392 2.188 20 30 FEEDHN Cc1cc(=NC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)[nH]n1CCC#N ZINC000602921042 553670019 /nfs/dbraw/zinc/67/00/19/553670019.db2.gz AJUSYYIAAYQAFQ-MRXNPFEDSA-N 0 3 374.489 2.212 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1nc2ccccn2c1C#N ZINC000302476268 553717987 /nfs/dbraw/zinc/71/79/87/553717987.db2.gz VKZDJOZYISRBOV-OAQYLSRUSA-N 0 3 361.449 2.279 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000312040119 553756036 /nfs/dbraw/zinc/75/60/36/553756036.db2.gz VREZJWFVBLLXNZ-QGZVFWFLSA-N 0 3 370.478 2.062 20 30 FEEDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1 ZINC000328682669 553806671 /nfs/dbraw/zinc/80/66/71/553806671.db2.gz DCINSMACQQWCBM-AWEZNQCLSA-N 0 3 365.499 2.164 20 30 FEEDHN CNC(=O)NC1CN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000328700701 553809136 /nfs/dbraw/zinc/80/91/36/553809136.db2.gz MXEUPXJFJCMOJR-GOSISDBHSA-N 0 3 373.501 2.191 20 30 FEEDHN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000328753769 553817143 /nfs/dbraw/zinc/81/71/43/553817143.db2.gz SHYBTKYQFISWCN-LSDHHAIUSA-N 0 3 351.491 2.233 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 ZINC000328817100 553827367 /nfs/dbraw/zinc/82/73/67/553827367.db2.gz OWHKAJFVOYJODK-ZSZQSSIHSA-N 0 3 373.501 2.303 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C1 ZINC000328821856 553827748 /nfs/dbraw/zinc/82/77/48/553827748.db2.gz OYPYKJJZGUSKRN-GOEBONIOSA-N 0 3 373.453 2.252 20 30 FEEDHN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000328855992 553833889 /nfs/dbraw/zinc/83/38/89/553833889.db2.gz XDLXTSKFETVIDC-CQSZACIVSA-N 0 3 352.866 2.367 20 30 FEEDHN CN(C(=O)NCC1(N2CCSCC2)CCCCC1)[C@H]1CCNC1=O ZINC000328897257 553840826 /nfs/dbraw/zinc/84/08/26/553840826.db2.gz XIVBTKHTZNJREL-AWEZNQCLSA-N 0 3 354.520 2.313 20 30 FEEDHN C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NCCN1CCCCC1 ZINC000328984570 553858508 /nfs/dbraw/zinc/85/85/08/553858508.db2.gz ZHEDGSXREASNQG-APWZRJJASA-N 0 3 359.470 2.245 20 30 FEEDHN CC(=O)N1CCN(C(=O)NCCN2CCC[C@@H](C)C2)CC12CCCCC2 ZINC000328990823 553860233 /nfs/dbraw/zinc/86/02/33/553860233.db2.gz VFOVPAQWSXURHA-QGZVFWFLSA-N 0 3 364.534 2.499 20 30 FEEDHN CN1CC[C@H](N2CCC(NC(=O)[C@@H]3CCCN3C3CCCC3)CC2)C1=O ZINC000329200695 553901141 /nfs/dbraw/zinc/90/11/41/553901141.db2.gz WJFBPCDLNGUUES-ROUUACIJSA-N 0 3 362.518 2.045 20 30 FEEDHN C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)NC(=O)[N-]C1=O ZINC000329242468 553909416 /nfs/dbraw/zinc/90/94/16/553909416.db2.gz OIVSFZQKRFZEJC-HNSFDTNUSA-N 0 3 363.462 2.025 20 30 FEEDHN C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)NC(=O)[N-]C1=O ZINC000329242468 553909418 /nfs/dbraw/zinc/90/94/18/553909418.db2.gz OIVSFZQKRFZEJC-HNSFDTNUSA-N 0 3 363.462 2.025 20 30 FEEDHN C[C@@H](NC(=O)N1CCN(C(=O)C2CCCCC2)CC1)C1=CCN(C)CC1 ZINC000329281812 553917239 /nfs/dbraw/zinc/91/72/39/553917239.db2.gz FBNNJAHPXNUISU-MRXNPFEDSA-N 0 3 362.518 2.275 20 30 FEEDHN Cc1nc(CN2CCC(CNC(=O)N3CCCN(C)CC3)CC2)oc1C ZINC000329454681 553950211 /nfs/dbraw/zinc/95/02/11/553950211.db2.gz NZIHKJYVFBITCF-UHFFFAOYSA-N 0 3 363.506 2.055 20 30 FEEDHN CC(C)[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1nnc2ccccn21 ZINC000329468457 553952562 /nfs/dbraw/zinc/95/25/62/553952562.db2.gz XIUSPNJDXRRHHV-ZOBUZTSGSA-N 0 3 356.474 2.366 20 30 FEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000329514420 553960668 /nfs/dbraw/zinc/96/06/68/553960668.db2.gz CUVTYXAMKCANPN-AEGPPILISA-N 0 3 363.424 2.410 20 30 FEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000329514421 553960697 /nfs/dbraw/zinc/96/06/97/553960697.db2.gz CUVTYXAMKCANPN-QEJZJMRPSA-N 0 3 363.424 2.410 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@]12CCCO2 ZINC000329546956 553965374 /nfs/dbraw/zinc/96/53/74/553965374.db2.gz DOUOVVHUYWCCKN-YQVWRLOYSA-N 0 3 351.491 2.187 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H](C)C2CCN(C)CC2)[C@@]12CCCO2 ZINC000329551177 553966428 /nfs/dbraw/zinc/96/64/28/553966428.db2.gz FUBDAIAYYZOLNI-XZKMEQPCSA-N 0 3 353.507 2.289 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CCCC23CCN(C)CC3)[C@@]12CCCO2 ZINC000329571402 553969591 /nfs/dbraw/zinc/96/95/91/553969591.db2.gz MQKKOALEQZNDEX-FCEWJHQRSA-N 0 3 351.491 2.187 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](C)N3CCC[C@H](C)C3)C2)nn1 ZINC000329699580 553991397 /nfs/dbraw/zinc/99/13/97/553991397.db2.gz ZDPYURHHQWQSPT-SZMVWBNQSA-N 0 3 374.533 2.378 20 30 FEEDHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1=O ZINC000329769929 554002942 /nfs/dbraw/zinc/00/29/42/554002942.db2.gz IGUXQNYHNKUIHZ-CGHHPOIWSA-N 0 3 370.497 2.162 20 30 FEEDHN O=C(NCc1cc(F)cc2c1OCOC2)NC[C@@H]1CCc2nccn2C1 ZINC000329914961 554031011 /nfs/dbraw/zinc/03/10/11/554031011.db2.gz PIJJUVLSMSVPQZ-LBPRGKRZSA-N 0 3 360.389 2.155 20 30 FEEDHN O=C(NCCc1csc(N2CCCC2)n1)NC[C@H]1CCc2nccn2C1 ZINC000329960093 554039248 /nfs/dbraw/zinc/03/92/48/554039248.db2.gz QWWUYGDFZKTKLN-CQSZACIVSA-N 0 3 374.514 2.249 20 30 FEEDHN [O-]C(NC[C@H]1CCc2nccn2C1)=[NH+]CCc1csc(N2CCCC2)n1 ZINC000329960093 554039250 /nfs/dbraw/zinc/03/92/50/554039250.db2.gz QWWUYGDFZKTKLN-CQSZACIVSA-N 0 3 374.514 2.249 20 30 FEEDHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000329992967 554045706 /nfs/dbraw/zinc/04/57/06/554045706.db2.gz YBAOEFLFHAPODG-IRXDYDNUSA-N 0 3 372.513 2.464 20 30 FEEDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329994351 554046225 /nfs/dbraw/zinc/04/62/25/554046225.db2.gz ZDSQELYLBMIOAH-ZVDOUQERSA-N 0 3 373.497 2.350 20 30 FEEDHN CN(C)[C@]1(CNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CCSC1 ZINC000330132057 554070694 /nfs/dbraw/zinc/07/06/94/554070694.db2.gz FXJYQWZUZQAHPS-LRDDRELGSA-N 0 3 359.561 2.328 20 30 FEEDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000330170061 554077393 /nfs/dbraw/zinc/07/73/93/554077393.db2.gz DLIYZGRBKMTGJG-MMTVNHQJSA-N 0 3 362.478 2.049 20 30 FEEDHN Cc1cc(N2CCC(NC(=O)N[C@@H]3CCN(C)[C@@H](C)C3)CC2)nc(C)n1 ZINC000330199625 554083743 /nfs/dbraw/zinc/08/37/43/554083743.db2.gz VREHNNFISZFDOM-WMLDXEAASA-N 0 3 360.506 2.049 20 30 FEEDHN O=C(CN1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1)NC1CCCCC1 ZINC000330234648 554090512 /nfs/dbraw/zinc/09/05/12/554090512.db2.gz SSAKHKJXVYEMJS-SFHVURJKSA-N 0 3 362.518 2.047 20 30 FEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCCN1CCC[C@H](C)C1 ZINC000330323641 554105138 /nfs/dbraw/zinc/10/51/38/554105138.db2.gz HUAQIOYLVQPCHH-OWQGQXMQSA-N 0 3 363.506 2.102 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000330887887 554183476 /nfs/dbraw/zinc/18/34/76/554183476.db2.gz ABHXGBVEEZOHQQ-BRWVUGGUSA-N 0 3 352.523 2.257 20 30 FEEDHN CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000330917214 554188129 /nfs/dbraw/zinc/18/81/29/554188129.db2.gz VYSQJPVOHGVCOU-UKRRQHHQSA-N 0 3 353.488 2.161 20 30 FEEDHN Cc1ncc(S(=O)(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc1C#N ZINC000331173269 554226123 /nfs/dbraw/zinc/22/61/23/554226123.db2.gz UWAVPXDAXPCZAI-ZDUSSCGKSA-N 0 3 350.488 2.051 20 30 FEEDHN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000331290631 554242341 /nfs/dbraw/zinc/24/23/41/554242341.db2.gz KFQRQACNMGLNDH-KBPBESRZSA-N 0 3 353.463 2.237 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508909311 561778025 /nfs/dbraw/zinc/77/80/25/561778025.db2.gz YZLQRZZCFKYGSC-MRXNPFEDSA-N 0 3 362.522 2.159 20 30 FEEDHN C=CCn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000508922557 561778341 /nfs/dbraw/zinc/77/83/41/561778341.db2.gz QVXDNPUZHVLPKP-KRWDZBQOSA-N 0 3 370.501 2.463 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC000508999475 561780789 /nfs/dbraw/zinc/78/07/89/561780789.db2.gz QASFQAZTWIDZHQ-UHFFFAOYSA-N 0 3 374.533 2.447 20 30 FEEDHN COCCCN1CCC(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000509141528 561786586 /nfs/dbraw/zinc/78/65/86/561786586.db2.gz VFAQDNFQCZCOQI-UHFFFAOYSA-N 0 3 359.445 2.346 20 30 FEEDHN CCN1CCC(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000331935755 554348677 /nfs/dbraw/zinc/34/86/77/554348677.db2.gz XAQCQKZTTGNYJV-QGZVFWFLSA-N 0 3 355.486 2.079 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000332210362 554401671 /nfs/dbraw/zinc/40/16/71/554401671.db2.gz GLVFBJAAVAXXPJ-QGZVFWFLSA-N 0 3 370.563 2.301 20 30 FEEDHN CN(C)CCOc1ccccc1CNC(=O)Cc1c(F)cccc1C#N ZINC000509841576 561815850 /nfs/dbraw/zinc/81/58/50/561815850.db2.gz XKWJZKJKIMZHCE-UHFFFAOYSA-N 0 3 355.413 2.497 20 30 FEEDHN Cc1ccccc1CN1CCC(NC(=O)CN2CCC(F)(C#N)CC2)CC1 ZINC000510903762 561850299 /nfs/dbraw/zinc/85/02/99/561850299.db2.gz UBEYFAHKLASITM-UHFFFAOYSA-N 0 3 372.488 2.403 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@@]2(C)CCCN2Cc2ccccc2)C1=O ZINC000348391849 554683903 /nfs/dbraw/zinc/68/39/03/554683903.db2.gz RBHBICAESHCREQ-FXAWDEMLSA-N 0 3 357.454 2.164 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCCCN2Cc2ccccc2)C1=O ZINC000348456895 554685723 /nfs/dbraw/zinc/68/57/23/554685723.db2.gz CFGGMYVOGDIYMQ-MSOLQXFVSA-N 0 3 357.454 2.164 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCCN(Cc3cccs3)C2)C1=O ZINC000348513877 554687682 /nfs/dbraw/zinc/68/76/82/554687682.db2.gz ONAOBSNRQIBHCF-GDBMZVCRSA-N 0 3 363.483 2.083 20 30 FEEDHN N#C[C@@H]1CCC[C@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511033415 561854435 /nfs/dbraw/zinc/85/44/35/561854435.db2.gz UNUOIQGHQGXPAR-YPMHNXCESA-N 0 3 359.854 2.429 20 30 FEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@H](Cc2ccccn2)C1=O)C(C)C ZINC000349235421 554722346 /nfs/dbraw/zinc/72/23/46/554722346.db2.gz DXQFDRDWEYVWCM-QZTJIDSGSA-N 0 3 356.470 2.243 20 30 FEEDHN Cc1nc(C2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n[nH]1 ZINC000360471955 554875856 /nfs/dbraw/zinc/87/58/56/554875856.db2.gz GODNCUWWJIRFCQ-SFHVURJKSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1n[nH]c(C2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000360471955 554875857 /nfs/dbraw/zinc/87/58/57/554875857.db2.gz GODNCUWWJIRFCQ-SFHVURJKSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1nnc(C2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)[nH]1 ZINC000360471955 554875858 /nfs/dbraw/zinc/87/58/58/554875858.db2.gz GODNCUWWJIRFCQ-SFHVURJKSA-N 0 3 364.453 2.360 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 ZINC000361750109 554932871 /nfs/dbraw/zinc/93/28/71/554932871.db2.gz GZXAIIWTLHXQPG-INIZCTEOSA-N 0 3 371.456 2.091 20 30 FEEDHN CC1CCN(CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000362712181 554983189 /nfs/dbraw/zinc/98/31/89/554983189.db2.gz VFSUFALMLIWZBH-IBGZPJMESA-N 0 3 356.470 2.373 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000362900613 554997277 /nfs/dbraw/zinc/99/72/77/554997277.db2.gz DHLXGRZMQTYATB-ZDUSSCGKSA-N 0 3 373.400 2.436 20 30 FEEDHN C=CCc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc(OC)c1OC ZINC000363102116 555030365 /nfs/dbraw/zinc/03/03/65/555030365.db2.gz ZGSCCNSPZBEKGY-IAGOWNOFSA-N 0 3 360.454 2.025 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000363149921 555040756 /nfs/dbraw/zinc/04/07/56/555040756.db2.gz IBYRLEOOTMQZAF-RBUKOAKNSA-N 0 3 356.470 2.199 20 30 FEEDHN C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@H]1C ZINC000363384686 555091732 /nfs/dbraw/zinc/09/17/32/555091732.db2.gz OCIUGFCZBUQPLV-OAGGEKHMSA-N 0 3 355.486 2.300 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H]1CSC[C@H]1C ZINC000512221108 561896400 /nfs/dbraw/zinc/89/64/00/561896400.db2.gz WGZUZWQZHLTZDR-MLGOLLRUSA-N 0 3 364.515 2.293 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364161890 555261099 /nfs/dbraw/zinc/26/10/99/555261099.db2.gz QIFFQUVTAZSWRG-LJQANCHMSA-N 0 3 373.497 2.267 20 30 FEEDHN CN(C)c1noc(C2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000364513242 555327306 /nfs/dbraw/zinc/32/73/06/555327306.db2.gz ZSKPHQHUOWGERY-UHFFFAOYSA-N 0 3 368.441 2.215 20 30 FEEDHN CC(C)Cc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)N(C)C)cc1 ZINC000513382252 561936332 /nfs/dbraw/zinc/93/63/32/561936332.db2.gz DVMAMPSZFARZCU-RBUKOAKNSA-N 0 3 358.486 2.422 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCN([C@@H]2CCSC2)CC1 ZINC000366074599 555743985 /nfs/dbraw/zinc/74/39/85/555743985.db2.gz RVPHMGNSVFJGTD-CQSZACIVSA-N 0 3 350.513 2.071 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3nc(COC)no3)c2C)CC1 ZINC000367215797 556003450 /nfs/dbraw/zinc/00/34/50/556003450.db2.gz NAAPCAKNHILGST-UHFFFAOYSA-N 0 3 368.437 2.475 20 30 FEEDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000368495807 556326309 /nfs/dbraw/zinc/32/63/09/556326309.db2.gz KTYANWYOUJDBDZ-IXDGSTSKSA-N 0 3 372.444 2.108 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2nccn21 ZINC000368692501 556386496 /nfs/dbraw/zinc/38/64/96/556386496.db2.gz NRYWHVXCPREEND-SFHVURJKSA-N 0 3 351.454 2.223 20 30 FEEDHN N#Cc1ccncc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000515534291 562014549 /nfs/dbraw/zinc/01/45/49/562014549.db2.gz SODFGQKZANYQTA-UHFFFAOYSA-N 0 3 352.360 2.488 20 30 FEEDHN C=CCN(C(=O)NCCn1ccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368925032 556449813 /nfs/dbraw/zinc/44/98/13/556449813.db2.gz PPYQCUZJPVHCPK-LJQANCHMSA-N 0 3 353.470 2.355 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000369059465 556492362 /nfs/dbraw/zinc/49/23/62/556492362.db2.gz WQIIONOCLJQHAC-HNNXBMFYSA-N 0 3 370.453 2.029 20 30 FEEDHN CN(Cc1cc(C#N)ccc1F)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369067131 556495589 /nfs/dbraw/zinc/49/55/89/556495589.db2.gz TUCXAOWJOSMCMH-UHFFFAOYSA-N 0 3 358.461 2.216 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2[C@@H]2CCCN2C(=O)CC)CC1 ZINC000369403712 556592652 /nfs/dbraw/zinc/59/26/52/556592652.db2.gz WGXNXHSPKADGJD-ROUUACIJSA-N 0 3 362.518 2.212 20 30 FEEDHN Cc1nc(C)n(C[C@@H]2CCCN2CCC(=O)Nc2sccc2C#N)n1 ZINC000369784586 556693934 /nfs/dbraw/zinc/69/39/34/556693934.db2.gz PEQXZTLXOZNPNZ-HNNXBMFYSA-N 0 3 358.471 2.321 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@H](C)N(C)C3CC3)C2)n1 ZINC000369938363 556736045 /nfs/dbraw/zinc/73/60/45/556736045.db2.gz UOERWBSKPGCXHK-RDJZCZTQSA-N 0 3 355.486 2.077 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@H](C)N(C)C3CC3)C2)n1 ZINC000369938364 556736234 /nfs/dbraw/zinc/73/62/34/556736234.db2.gz UOERWBSKPGCXHK-WBVHZDCISA-N 0 3 355.486 2.077 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 ZINC000370015009 556758425 /nfs/dbraw/zinc/75/84/25/556758425.db2.gz BFAYNPGKODYWHJ-HKUYNNGSSA-N 0 3 367.493 2.200 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000370416763 556866362 /nfs/dbraw/zinc/86/63/62/556866362.db2.gz ZPISNLSPZQYVQO-HNNXBMFYSA-N 0 3 360.458 2.288 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)CC1 ZINC000370507460 556893982 /nfs/dbraw/zinc/89/39/82/556893982.db2.gz IETBTBNRYLYRER-BXWFABGCSA-N 0 3 351.491 2.005 20 30 FEEDHN C#CC[C@H](C)NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000371057752 557061281 /nfs/dbraw/zinc/06/12/81/557061281.db2.gz XLXUDXZQKBEPAS-OALUTQOASA-N 0 3 369.513 2.037 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000517145916 562077427 /nfs/dbraw/zinc/07/74/27/562077427.db2.gz SPHPEJRDZCVDES-XJKSGUPXSA-N 0 3 360.285 2.213 20 30 FEEDHN CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H]1CN2CCC1CC2 ZINC000517697109 562095618 /nfs/dbraw/zinc/09/56/18/562095618.db2.gz INHFOMLLIWXABK-IBGZPJMESA-N 0 3 368.481 2.266 20 30 FEEDHN N#Cc1ccc(OCCNC(=O)N2CCc3ccccc3[C@H]2CN)cc1 ZINC000517738255 562096813 /nfs/dbraw/zinc/09/68/13/562096813.db2.gz IAUAYFKCGHDNST-LJQANCHMSA-N 0 3 350.422 2.205 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(-n3cnnn3)c2C)CC1 ZINC000518513787 562113281 /nfs/dbraw/zinc/11/32/81/562113281.db2.gz RIDJIUWGOLUHBE-UHFFFAOYSA-N 0 3 355.446 2.133 20 30 FEEDHN C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000518689017 562116527 /nfs/dbraw/zinc/11/65/27/562116527.db2.gz GJIGYYGCZZFYNM-WIBUTAKZSA-N 0 3 354.454 2.341 20 30 FEEDHN CC(C)[C@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)N1CCCCC1 ZINC000372119348 557384314 /nfs/dbraw/zinc/38/43/14/557384314.db2.gz ADIAXGMZKUXLLH-HXUWFJFHSA-N 0 3 369.513 2.867 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CN1C1CC1 ZINC000372348835 557447445 /nfs/dbraw/zinc/44/74/45/557447445.db2.gz YHTNVFWTEFOCEM-LSBZLQRGSA-N 0 3 354.454 2.266 20 30 FEEDHN Cc1cc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000372378216 557454668 /nfs/dbraw/zinc/45/46/68/557454668.db2.gz PVRSQTRDHLEUSL-PBHICJAKSA-N 0 3 366.469 2.999 20 30 FEEDHN COC(=O)c1ccc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)n1 ZINC000519667312 562139177 /nfs/dbraw/zinc/13/91/77/562139177.db2.gz DLCXDJYCZKHMTA-GASCZTMLSA-N 0 3 372.469 2.065 20 30 FEEDHN N#Cc1ncccc1S(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000372954351 557596325 /nfs/dbraw/zinc/59/63/25/557596325.db2.gz LXBKTUNMZFOSSF-UHFFFAOYSA-N 0 3 362.499 2.230 20 30 FEEDHN CC(=O)NCC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000519590898 562136091 /nfs/dbraw/zinc/13/60/91/562136091.db2.gz CXXDVIUDLVYMLA-RTBURBONSA-N 0 3 352.438 2.005 20 30 FEEDHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNCc2ccc(F)c(C#N)c2Cl)C1=O ZINC000372993773 557605510 /nfs/dbraw/zinc/60/55/10/557605510.db2.gz WGILZOKUOGEXHF-PIGZYNQJSA-N 0 3 364.808 2.161 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373322142 557671984 /nfs/dbraw/zinc/67/19/84/557671984.db2.gz VBIKOVXZAVZMOD-RNIPGJKVSA-N 0 3 350.503 2.315 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC(=O)Nc3ccccc32)cc1 ZINC000373848539 557772630 /nfs/dbraw/zinc/77/26/30/557772630.db2.gz CRSSETJEPBTZFD-IAGOWNOFSA-N 0 3 358.401 2.483 20 30 FEEDHN C[C@@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000520650070 562160917 /nfs/dbraw/zinc/16/09/17/562160917.db2.gz ITVJUURKMSDKQN-CZUORRHYSA-N 0 3 368.478 2.009 20 30 FEEDHN C=CCN(C(=O)[C@H](OC)c1cnn(C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000373987030 557801562 /nfs/dbraw/zinc/80/15/62/557801562.db2.gz WKAQBLPXRMZBJZ-VQTJNVASSA-N 0 3 368.481 2.397 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000520790724 562163736 /nfs/dbraw/zinc/16/37/36/562163736.db2.gz BGWBMNASKAIJTA-GJZGRUSLSA-N 0 3 372.469 2.275 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000375016698 557964956 /nfs/dbraw/zinc/96/49/56/557964956.db2.gz FUIGJNHFNXQENE-OAHLLOKOSA-N 0 3 351.491 2.400 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375019457 557965142 /nfs/dbraw/zinc/96/51/42/557965142.db2.gz LDAKWYAREXARSC-JENIJYKNSA-N 0 3 370.497 2.356 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375019459 557965362 /nfs/dbraw/zinc/96/53/62/557965362.db2.gz LDAKWYAREXARSC-LNLFQRSKSA-N 0 3 370.497 2.356 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@H]21 ZINC000375053972 557970879 /nfs/dbraw/zinc/97/08/79/557970879.db2.gz JHMIEICGGFVPIB-GDBMZVCRSA-N 0 3 372.494 2.183 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000376348869 558161426 /nfs/dbraw/zinc/16/14/26/558161426.db2.gz HNUMEZRHROOZSZ-BLLLJJGKSA-N 0 3 353.875 2.459 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000376442196 558173741 /nfs/dbraw/zinc/17/37/41/558173741.db2.gz PQAAFDSIDXWZKR-MOPGFXCFSA-N 0 3 367.449 2.285 20 30 FEEDHN C#CCC(CC#C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000376674627 558206592 /nfs/dbraw/zinc/20/65/92/558206592.db2.gz TXEQNATZKQZFPJ-HXUWFJFHSA-N 0 3 365.477 2.454 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000377404162 558334364 /nfs/dbraw/zinc/33/43/64/558334364.db2.gz XPBLWOMUCLHAOU-XCRHUMRWSA-N 0 3 361.511 2.298 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000377472993 558346853 /nfs/dbraw/zinc/34/68/53/558346853.db2.gz PZWIBOOHIXICIC-VGSQKHLPSA-N 0 3 372.465 2.253 20 30 FEEDHN C=CCN(C(=O)[C@H](O)c1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000378318451 558528622 /nfs/dbraw/zinc/52/86/22/558528622.db2.gz UVRUCSWRMWCVEJ-WOJBJXKFSA-N 0 3 351.450 2.404 20 30 FEEDHN C#CCOc1ccc(CN2CCC(C(=O)Nc3cnccn3)CC2)cc1 ZINC000378331569 558531426 /nfs/dbraw/zinc/53/14/26/558531426.db2.gz FFXXJPACNMHPHQ-UHFFFAOYSA-N 0 3 350.422 2.339 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CCN1C1CCN(C)CC1 ZINC000378365524 558540501 /nfs/dbraw/zinc/54/05/01/558540501.db2.gz KRDYTSWYHPROHW-CQSZACIVSA-N 0 3 359.449 2.330 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CNCc2cnn(Cc3ccccc3)c2)cc1 ZINC000390263620 558611190 /nfs/dbraw/zinc/61/11/90/558611190.db2.gz OVJFVEKOMOICKU-HXUWFJFHSA-N 0 3 362.433 2.333 20 30 FEEDHN C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[C@@H]1N1CCN(C)CC1 ZINC000409719610 558716191 /nfs/dbraw/zinc/71/61/91/558716191.db2.gz ZCMKOFJWEWZUEM-BBRMVZONSA-N 0 3 367.419 2.434 20 30 FEEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000409757163 558718569 /nfs/dbraw/zinc/71/85/69/558718569.db2.gz DQFZWLDGAMBVIS-SJLPKXTDSA-N 0 3 366.469 2.081 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c(F)c1 ZINC000525697087 562252520 /nfs/dbraw/zinc/25/25/20/562252520.db2.gz KCFGSYMOVVRWMR-HNNXBMFYSA-N 0 3 351.447 2.194 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cnn(CC(F)(F)F)c2)cc1 ZINC000526077343 562266171 /nfs/dbraw/zinc/26/61/71/562266171.db2.gz FZPJLUFARNZSNI-HNNXBMFYSA-N 0 3 361.327 2.316 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000413311905 559097962 /nfs/dbraw/zinc/09/79/62/559097962.db2.gz JICPUAQHFGASAZ-AZUAARDMSA-N 0 3 358.530 2.357 20 30 FEEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1csnn1 ZINC000413805530 559131537 /nfs/dbraw/zinc/13/15/37/559131537.db2.gz AVJYXEQUCINYIY-CYBMUJFWSA-N 0 3 358.471 2.244 20 30 FEEDHN C=CCSCCNCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414322310 559156140 /nfs/dbraw/zinc/15/61/40/559156140.db2.gz FMSUXLBALJPSNS-UHFFFAOYSA-N 0 3 365.318 2.105 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415102469 559205328 /nfs/dbraw/zinc/20/53/28/559205328.db2.gz DRVUJJRSRXFOPH-SNVBAGLBSA-N 0 3 356.348 2.111 20 30 FEEDHN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415137336 559207915 /nfs/dbraw/zinc/20/79/15/559207915.db2.gz SYXLOUNBEKSGJL-UHFFFAOYSA-N 0 3 360.433 2.198 20 30 FEEDHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000415378035 559229022 /nfs/dbraw/zinc/22/90/22/559229022.db2.gz GVOPDSSCJIUZDO-GOSISDBHSA-N 0 3 350.422 2.436 20 30 FEEDHN CN(C)C1(CNS(=O)(=O)c2cc(Br)ccc2C#N)CCC1 ZINC000416476733 559316045 /nfs/dbraw/zinc/31/60/45/559316045.db2.gz YZICWTMEWHDWDH-UHFFFAOYSA-N 0 3 372.288 2.083 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCNC[C@@H]1c1cccnc1)C(C)C ZINC000417061772 559346342 /nfs/dbraw/zinc/34/63/42/559346342.db2.gz LGORUGZVHYRSFZ-WOJBJXKFSA-N 0 3 371.529 2.436 20 30 FEEDHN CC(C)(CC#N)CNC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418968908 559423945 /nfs/dbraw/zinc/42/39/45/559423945.db2.gz DARIZCOFFFAVPP-QGZVFWFLSA-N 0 3 352.438 2.012 20 30 FEEDHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419645336 559451392 /nfs/dbraw/zinc/45/13/92/559451392.db2.gz PKRFCRUPMXRDGW-HXUWFJFHSA-N 0 3 369.513 2.215 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N[C@@H](CN)CCCC)c1ccc(F)c(F)c1 ZINC000419678569 559453429 /nfs/dbraw/zinc/45/34/29/559453429.db2.gz OJHYETHXTADHHA-CJNGLKHVSA-N 0 3 353.413 2.332 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419962916 559466524 /nfs/dbraw/zinc/46/65/24/559466524.db2.gz HJJUNXWBSQRFQW-IBGZPJMESA-N 0 3 370.497 2.319 20 30 FEEDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000420031777 559469680 /nfs/dbraw/zinc/46/96/80/559469680.db2.gz FSCPXNIIVPJPSN-HXUWFJFHSA-N 0 3 371.437 2.163 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000421508531 559543979 /nfs/dbraw/zinc/54/39/79/559543979.db2.gz FIOCWNZBMZSYDQ-HKUYNNGSSA-N 0 3 357.498 2.138 20 30 FEEDHN CN(C[C@@H]1CCCN1C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000421708875 559550209 /nfs/dbraw/zinc/55/02/09/559550209.db2.gz BIITYNHBYFCJBU-ZDUSSCGKSA-N 0 3 366.259 2.252 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@@H]3CCCN3C)C2)n1 ZINC000421715133 559550656 /nfs/dbraw/zinc/55/06/56/559550656.db2.gz XBQXIASXWNAOMY-MSOLQXFVSA-N 0 3 355.486 2.031 20 30 FEEDHN C[C@H](NC(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000422300516 559576760 /nfs/dbraw/zinc/57/67/60/559576760.db2.gz VHROHYPONQELIB-HNNXBMFYSA-N 0 3 358.486 2.288 20 30 FEEDHN COc1cc(CNC(=O)[C@@H](N)CCCC#N)ccc1OCC(F)(F)F ZINC000424088734 559654479 /nfs/dbraw/zinc/65/44/79/559654479.db2.gz HEAPPVJSMJVUCI-LBPRGKRZSA-N 0 3 359.348 2.274 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000424150857 559656276 /nfs/dbraw/zinc/65/62/76/559656276.db2.gz ZRPXMFNHPBDTQQ-CHWSQXEVSA-N 0 3 352.385 2.004 20 30 FEEDHN COc1cc(NC(=O)[C@H](N)CCCC#N)cc(OC)c1Br ZINC000424163773 559656631 /nfs/dbraw/zinc/65/66/31/559656631.db2.gz AQKHMSLAGZFGHK-SNVBAGLBSA-N 0 3 356.220 2.426 20 30 FEEDHN CN(C)Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Br ZINC000424178280 559656758 /nfs/dbraw/zinc/65/67/58/559656758.db2.gz WKSLKTLZVDGBGS-AWEZNQCLSA-N 0 3 353.264 2.470 20 30 FEEDHN C=CCn1cc(CNCc2ccccc2N(C)C2CCN(C)CC2)nn1 ZINC000424173425 559656783 /nfs/dbraw/zinc/65/67/83/559656783.db2.gz PVPZXAQFIBPCHY-UHFFFAOYSA-N 0 3 354.502 2.284 20 30 FEEDHN CCOC(=O)c1csc(C2CCN(C(=O)[C@@H](N)CCCC#N)CC2)n1 ZINC000424183111 559656984 /nfs/dbraw/zinc/65/69/84/559656984.db2.gz BSQFVPLYZSNPSN-ZDUSSCGKSA-N 0 3 364.471 2.047 20 30 FEEDHN COC(=O)c1cnc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000424975677 559681825 /nfs/dbraw/zinc/68/18/25/559681825.db2.gz IBNLITMMRBDZLL-FZMZJTMJSA-N 0 3 368.418 2.361 20 30 FEEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC000527326941 562285507 /nfs/dbraw/zinc/28/55/07/562285507.db2.gz SZNMGMPDQURANI-UHFFFAOYSA-N 0 3 361.389 2.340 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000425469991 559703979 /nfs/dbraw/zinc/70/39/79/559703979.db2.gz FGMUZBQUSDKQHH-FUHWJXTLSA-N 0 3 368.485 2.316 20 30 FEEDHN C=CCN1CCC(NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000426352317 559733221 /nfs/dbraw/zinc/73/32/21/559733221.db2.gz LRVWIJIMTWYEOO-UHFFFAOYSA-N 0 3 371.481 2.497 20 30 FEEDHN N#Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000426899250 559743904 /nfs/dbraw/zinc/74/39/04/559743904.db2.gz ZMJCLAXVHQWVPD-AWEZNQCLSA-N 0 3 367.409 2.173 20 30 FEEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000427663703 559760075 /nfs/dbraw/zinc/76/00/75/559760075.db2.gz PHSXDBDGONAFRI-GOSISDBHSA-N 0 3 370.497 2.334 20 30 FEEDHN N#Cc1ncccc1S(=O)(=O)NCC1(N2CCCCC2)CCCCC1 ZINC000428268731 559772569 /nfs/dbraw/zinc/77/25/69/559772569.db2.gz GNZNQTVHGQNSCZ-UHFFFAOYSA-N 0 3 362.499 2.420 20 30 FEEDHN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC000428549550 559777713 /nfs/dbraw/zinc/77/77/13/559777713.db2.gz QBCMAOGHUXGAAI-PZJWPPBQSA-N 0 3 374.444 2.446 20 30 FEEDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000429777432 559805648 /nfs/dbraw/zinc/80/56/48/559805648.db2.gz XVLVYISXCVPCNU-ROUUACIJSA-N 0 3 356.470 2.054 20 30 FEEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NCCCN1CCN(C)CC1 ZINC000429911753 559808563 /nfs/dbraw/zinc/80/85/63/559808563.db2.gz SWVTZWRIEXMKBF-UHFFFAOYSA-N 0 3 356.495 2.449 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000432006464 559850150 /nfs/dbraw/zinc/85/01/50/559850150.db2.gz JNSSYNVUWGSMJF-UHFFFAOYSA-N 0 3 367.409 2.325 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000439479465 559995052 /nfs/dbraw/zinc/99/50/52/559995052.db2.gz SKDZLXDUEBXRPX-VQIMIIECSA-N 0 3 354.491 2.091 20 30 FEEDHN Cc1csc(C(C#N)C(=O)c2cc3c(nc4ccccn4c3=O)n2C)n1 ZINC000439693282 559998948 /nfs/dbraw/zinc/99/89/48/559998948.db2.gz FZYBZWDTGOUKBP-LBPRGKRZSA-N 0 3 363.402 2.441 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)N1CCC[C@H](C)C1 ZINC000440058332 560003915 /nfs/dbraw/zinc/00/39/15/560003915.db2.gz CGBCTRIKYWLSJQ-KBPBESRZSA-N 0 3 353.463 2.237 20 30 FEEDHN COc1cc(CN[C@H]2CC(=O)N(CCOc3ccccc3)C2)ccc1C#N ZINC000440814579 560018816 /nfs/dbraw/zinc/01/88/16/560018816.db2.gz DUCPNWDQEKVKBM-SFHVURJKSA-N 0 3 365.433 2.336 20 30 FEEDHN N#Cc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000441375293 560030230 /nfs/dbraw/zinc/03/02/30/560030230.db2.gz HTRNMPVLOORUMS-UHFFFAOYSA-N 0 3 367.833 2.419 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1C#N ZINC000441595018 560035947 /nfs/dbraw/zinc/03/59/47/560035947.db2.gz YPFWKJKYSNAUDH-QGZVFWFLSA-N 0 3 364.449 2.094 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CCN1C ZINC000442126014 560044353 /nfs/dbraw/zinc/04/43/53/560044353.db2.gz FZJIEERDIUESCK-UONOGXRCSA-N 0 3 360.483 2.230 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000442144976 560044967 /nfs/dbraw/zinc/04/49/67/560044967.db2.gz YWDXKCHEMUHMTB-ILXRZTDVSA-N 0 3 374.510 2.476 20 30 FEEDHN COC(=O)CCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000527458031 562288522 /nfs/dbraw/zinc/28/85/22/562288522.db2.gz NJSVVCGWBYNBSG-GOSISDBHSA-N 0 3 353.422 2.432 20 30 FEEDHN N#C[C@@H]1CC[C@H](NCc2cccc(NC(=O)CCN3CCOCC3)c2)C1 ZINC000442717988 560055118 /nfs/dbraw/zinc/05/51/18/560055118.db2.gz PMPRJTGVCITJKM-AEFFLSMTSA-N 0 3 356.470 2.129 20 30 FEEDHN CCCCN(C)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443470157 560084711 /nfs/dbraw/zinc/08/47/11/560084711.db2.gz ATJSIVLDWGQHBF-UHFFFAOYSA-N 0 3 374.304 2.331 20 30 FEEDHN Cc1cc(CN[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)ccc1C#N ZINC000443984072 560098407 /nfs/dbraw/zinc/09/84/07/560098407.db2.gz SKOKBYHYOBGCFP-NRFANRHFSA-N 0 3 364.493 2.245 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000446634530 560148797 /nfs/dbraw/zinc/14/87/97/560148797.db2.gz MIFHOLBACMWCLG-UHFFFAOYSA-N 0 3 371.485 2.379 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000448323470 560184413 /nfs/dbraw/zinc/18/44/13/560184413.db2.gz XVOWJPUIQXZCNJ-KRWDZBQOSA-N 0 3 359.470 2.427 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000448676868 560193576 /nfs/dbraw/zinc/19/35/76/560193576.db2.gz JZGDTPPKTJEZBN-FQEVSTJZSA-N 0 3 365.481 2.303 20 30 FEEDHN C=CCOc1ccc(CC(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000450367699 560260259 /nfs/dbraw/zinc/26/02/59/560260259.db2.gz YZHWYUNJUNRCOV-GOSISDBHSA-N 0 3 371.525 2.421 20 30 FEEDHN CN(CCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)Cc1ccccc1 ZINC000450611916 560267980 /nfs/dbraw/zinc/26/79/80/560267980.db2.gz JMCHPDGGDHKCGZ-AVRDEDQJSA-N 0 3 360.461 2.464 20 30 FEEDHN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451177593 560291647 /nfs/dbraw/zinc/29/16/47/560291647.db2.gz WPDMKLPSKJYVDV-ZIAGYGMSSA-N 0 3 353.463 2.380 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000451703128 560323223 /nfs/dbraw/zinc/32/32/23/560323223.db2.gz DOCRMHOTMOEOHG-RBUKOAKNSA-N 0 3 356.514 2.448 20 30 FEEDHN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(C)C)CC1 ZINC000453454731 560387122 /nfs/dbraw/zinc/38/71/22/560387122.db2.gz QSAGSONDPQYMBV-QGZVFWFLSA-N 0 3 365.522 2.499 20 30 FEEDHN Cc1nc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)ccc1C#N ZINC000453590113 560389992 /nfs/dbraw/zinc/38/99/92/560389992.db2.gz GMNCIECCCOWFRL-QGZVFWFLSA-N 0 3 371.485 2.073 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000453647326 560393175 /nfs/dbraw/zinc/39/31/75/560393175.db2.gz VSFUYGMLPZBYJF-AWEZNQCLSA-N 0 3 374.872 2.478 20 30 FEEDHN N#CCc1cccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000453649373 560393290 /nfs/dbraw/zinc/39/32/90/560393290.db2.gz LDLYPVGDSAJBFA-UHFFFAOYSA-N 0 3 354.454 2.168 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)C(C)C)cc2)CC1 ZINC000453669728 560395245 /nfs/dbraw/zinc/39/52/45/560395245.db2.gz YVZHHQFVNDUQLX-UHFFFAOYSA-N 0 3 357.454 2.230 20 30 FEEDHN CCCN(CC)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453684122 560396530 /nfs/dbraw/zinc/39/65/30/560396530.db2.gz AUBYFEOAWSJGFU-UHFFFAOYSA-N 0 3 350.850 2.193 20 30 FEEDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453704054 560398126 /nfs/dbraw/zinc/39/81/26/560398126.db2.gz CUCPSRAUGODBBP-UHFFFAOYSA-N 0 3 372.469 2.228 20 30 FEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453713521 560399052 /nfs/dbraw/zinc/39/90/52/560399052.db2.gz INVAYAPUVQZKEK-MLGOLLRUSA-N 0 3 362.861 2.143 20 30 FEEDHN CN1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)C2)C1 ZINC000453772720 560403396 /nfs/dbraw/zinc/40/33/96/560403396.db2.gz QFRMWXSTTUFDAG-IBGZPJMESA-N 0 3 374.872 2.289 20 30 FEEDHN CC(C)(CC#N)CNC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000458663976 560639293 /nfs/dbraw/zinc/63/92/93/560639293.db2.gz VBGOQRXXOPDHKG-SFHVURJKSA-N 0 3 358.486 2.382 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[C@H]1CCOC1 ZINC000459079786 560665537 /nfs/dbraw/zinc/66/55/37/560665537.db2.gz REEHLCQLAFIEKC-IBGZPJMESA-N 0 3 358.486 2.448 20 30 FEEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@@](O)(CO)C2)c1 ZINC000459744612 560705741 /nfs/dbraw/zinc/70/57/41/560705741.db2.gz ZTAYXGUJWCUZOD-NRFANRHFSA-N 0 3 352.434 2.456 20 30 FEEDHN COC(=O)[C@@H](Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cccc(C#N)c1 ZINC000461098377 560761321 /nfs/dbraw/zinc/76/13/21/560761321.db2.gz OVFJCVBGLZARGZ-UXHICEINSA-N 0 3 365.433 2.451 20 30 FEEDHN CC(=O)N1CCC(N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000461617521 560777083 /nfs/dbraw/zinc/77/70/83/560777083.db2.gz GVJMRMBWZSENPK-AWEZNQCLSA-N 0 3 360.433 2.061 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1C ZINC000465874271 560874577 /nfs/dbraw/zinc/87/45/77/560874577.db2.gz MNYQLFGNTALBDH-HYVNUMGLSA-N 0 3 373.476 2.448 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ncnn2-c2ccccc2)cc1 ZINC000467922806 560919701 /nfs/dbraw/zinc/91/97/01/560919701.db2.gz LGIJTSINNJWYTO-QGZVFWFLSA-N 0 3 356.389 2.138 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCSC[C@H]2CCO)cc1Cl ZINC000470210937 560976665 /nfs/dbraw/zinc/97/66/65/560976665.db2.gz XKUGJYGWHJVOHI-CQSZACIVSA-N 0 3 353.875 2.340 20 30 FEEDHN CCNC(=O)c1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470834702 560991002 /nfs/dbraw/zinc/99/10/02/560991002.db2.gz XYLZSVSURALCMI-LJQANCHMSA-N 0 3 360.417 2.307 20 30 FEEDHN Cn1cc(C#N)cc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000471573079 561007561 /nfs/dbraw/zinc/00/75/61/561007561.db2.gz JHBRUKVUZMILLN-UHFFFAOYSA-N 0 3 352.438 2.301 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2N2CCOCC2)cc1 ZINC000471865772 561013364 /nfs/dbraw/zinc/01/33/64/561013364.db2.gz ZLTBXVBJERFHEL-HXUWFJFHSA-N 0 3 374.444 2.394 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(C)CC[C@@H]3C)C2)n1 ZINC000471953477 561014899 /nfs/dbraw/zinc/01/48/99/561014899.db2.gz QLEADHPNSNRUTK-WMZOPIPTSA-N 0 3 355.486 2.031 20 30 FEEDHN CCCCN(C)CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471957413 561015118 /nfs/dbraw/zinc/01/51/18/561015118.db2.gz UZEXQOTXYOHULS-GOSISDBHSA-N 0 3 357.502 2.326 20 30 FEEDHN C=CCOc1ccc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OC ZINC000473837152 561058702 /nfs/dbraw/zinc/05/87/02/561058702.db2.gz RGXDBFSBAZHIIY-HZPDHXFCSA-N 0 3 368.499 2.210 20 30 FEEDHN C=CCN(C(=O)CN1CCC(C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000474701208 561080900 /nfs/dbraw/zinc/08/09/00/561080900.db2.gz DFUXCWXKKMVMOI-KRWDZBQOSA-N 0 3 368.485 2.470 20 30 FEEDHN N#Cc1ccc(C(F)(F)F)c(NCCCCN2CCN(CCO)CC2)c1 ZINC000475389476 561096092 /nfs/dbraw/zinc/09/60/92/561096092.db2.gz IRLOZWZJFDFSEM-UHFFFAOYSA-N 0 3 370.419 2.379 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000476041404 561110143 /nfs/dbraw/zinc/11/01/43/561110143.db2.gz MXFXHBRXLAEYIT-AZUAARDMSA-N 0 3 356.514 2.464 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000528405414 562327187 /nfs/dbraw/zinc/32/71/87/562327187.db2.gz SIIRNGHPUXTFOP-KURKYZTESA-N 0 3 356.422 2.479 20 30 FEEDHN CCn1nccc1C1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528483736 562331770 /nfs/dbraw/zinc/33/17/70/562331770.db2.gz GAAGRDNSNADQOY-SFHVURJKSA-N 0 3 354.454 2.394 20 30 FEEDHN CCC(C#N)(CC)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000528512356 562333400 /nfs/dbraw/zinc/33/34/00/562333400.db2.gz KRPRVRMHILWGJN-UHFFFAOYSA-N 0 3 370.497 2.458 20 30 FEEDHN CN(C)C(=O)[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000528681322 562341468 /nfs/dbraw/zinc/34/14/68/562341468.db2.gz DSRSYOFUTXQDKR-JSGCOSHPSA-N 0 3 356.451 2.025 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(C)(N2CCOCC2)CC1 ZINC000528726451 562344127 /nfs/dbraw/zinc/34/41/27/562344127.db2.gz BGTSTNPCEXOIGQ-UHFFFAOYSA-N 0 3 359.470 2.132 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(CO)CCOCC1 ZINC000532963774 562493943 /nfs/dbraw/zinc/49/39/43/562493943.db2.gz NSTSQQVXVUVSNE-AWEZNQCLSA-N 0 3 363.483 2.008 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(CO)CCOCC1 ZINC000532963575 562494013 /nfs/dbraw/zinc/49/40/13/562494013.db2.gz CETGLWPUKCOBBL-AWEZNQCLSA-N 0 3 363.483 2.150 20 30 FEEDHN N#Cc1ccc(CNCCCCN2CCN(c3ncccn3)CC2)c(F)c1 ZINC000533309826 562504841 /nfs/dbraw/zinc/50/48/41/562504841.db2.gz XKVZUSPEAOFBDR-UHFFFAOYSA-N 0 3 368.460 2.179 20 30 FEEDHN COc1ccc2c(c1)CCN(C[C@H](O)COc1ccc(C#N)cc1)CC2 ZINC000535549838 562561069 /nfs/dbraw/zinc/56/10/69/562561069.db2.gz MUNPHWLTPGXJLG-IBGZPJMESA-N 0 3 352.434 2.407 20 30 FEEDHN C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1cccc(C#N)c1 ZINC000540788204 562593117 /nfs/dbraw/zinc/59/31/17/562593117.db2.gz ASOBKJTXIVINDO-UWJYYQICSA-N 0 3 364.493 2.498 20 30 FEEDHN CN(C)CCOCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000541533976 562614780 /nfs/dbraw/zinc/61/47/80/562614780.db2.gz NHORSZCYMRDUES-UHFFFAOYSA-N 0 3 354.410 2.054 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)NCC3CCC(C#N)CC3)ccc2[nH]c1=O ZINC000602149204 567937207 /nfs/dbraw/zinc/93/72/07/567937207.db2.gz DROJLRZZCMGZEL-UHFFFAOYSA-N 0 3 369.469 2.363 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cc(CCN(C)C)nn1 ZINC000603214093 568076540 /nfs/dbraw/zinc/07/65/40/568076540.db2.gz BCGSDCXYBBXUAF-AWEZNQCLSA-N 0 3 372.498 2.415 20 30 FEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCNS(=O)(=O)Cc1ccon1 ZINC000569301573 568346346 /nfs/dbraw/zinc/34/63/46/568346346.db2.gz LOFRRADWQIWPJT-SFHVURJKSA-N 0 3 374.466 2.023 20 30 FEEDHN CC(C)CN1CCC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569595106 568409046 /nfs/dbraw/zinc/40/90/46/568409046.db2.gz FONNMWKIGBBNBP-GOSISDBHSA-N 0 3 363.527 2.290 20 30 FEEDHN C=CC[NH+]1CCC(Nc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)CC1 ZINC000819751373 599541227 /nfs/dbraw/zinc/54/12/27/599541227.db2.gz UDTYIDHFIDCZAO-UHFFFAOYSA-N 0 3 367.432 2.347 20 30 FEEDHN C=CC[NH+]1CCC(Nc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000819751373 599541229 /nfs/dbraw/zinc/54/12/29/599541229.db2.gz UDTYIDHFIDCZAO-UHFFFAOYSA-N 0 3 367.432 2.347 20 30 FEEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000819739677 606559069 /nfs/dbraw/zinc/55/90/69/606559069.db2.gz CQQILDTUNAWQOR-CYBMUJFWSA-N 0 3 360.487 2.357 20 30 FEEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819740221 606559320 /nfs/dbraw/zinc/55/93/20/606559320.db2.gz UUWBXDVSYVOLPZ-GOSISDBHSA-N 0 3 368.485 2.224 20 30 FEEDHN Cc1cc(C(F)(F)F)nn1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000810529915 674549186 /nfs/dbraw/zinc/54/91/86/674549186.db2.gz QVDAUPNXKVRTFB-GFCCVEGCSA-N 0 3 356.348 2.368 20 30 FEEDHN CC[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419140 608088429 /nfs/dbraw/zinc/08/84/29/608088429.db2.gz IHBSCNWLTVOCDY-CQSZACIVSA-N 0 3 355.446 2.012 20 30 FEEDHN CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419140 608088430 /nfs/dbraw/zinc/08/84/30/608088430.db2.gz IHBSCNWLTVOCDY-CQSZACIVSA-N 0 3 355.446 2.012 20 30 FEEDHN CC[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825419140 608088431 /nfs/dbraw/zinc/08/84/31/608088431.db2.gz IHBSCNWLTVOCDY-CQSZACIVSA-N 0 3 355.446 2.012 20 30 FEEDHN CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825419140 608088432 /nfs/dbraw/zinc/08/84/32/608088432.db2.gz IHBSCNWLTVOCDY-CQSZACIVSA-N 0 3 355.446 2.012 20 30 FEEDHN CC(C)C[N@H+](CCC(=O)N(C)CCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824255431 608203635 /nfs/dbraw/zinc/20/36/35/608203635.db2.gz JKHQQIRADSVIQI-UHFFFAOYSA-N 0 3 369.473 2.087 20 30 FEEDHN CC(C)C[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824255431 608203637 /nfs/dbraw/zinc/20/36/37/608203637.db2.gz JKHQQIRADSVIQI-UHFFFAOYSA-N 0 3 369.473 2.087 20 30 FEEDHN CC(C)C[N@H+](CCC(=O)N(C)CCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824255431 608203639 /nfs/dbraw/zinc/20/36/39/608203639.db2.gz JKHQQIRADSVIQI-UHFFFAOYSA-N 0 3 369.473 2.087 20 30 FEEDHN CC(C)C[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824255431 608203640 /nfs/dbraw/zinc/20/36/40/608203640.db2.gz JKHQQIRADSVIQI-UHFFFAOYSA-N 0 3 369.473 2.087 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC[C@H](C(C)C)N2CCC(C)CC2)cc1C#N ZINC000813651523 674765325 /nfs/dbraw/zinc/76/53/25/674765325.db2.gz YKLFSGAXNIMDDH-GOSISDBHSA-N 0 3 364.515 2.297 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCNC(=O)CC1 ZINC000815908661 674983819 /nfs/dbraw/zinc/98/38/19/674983819.db2.gz HCQFMMWPMTUNOR-KOLCDFICSA-N 0 3 351.765 2.043 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCCC(=O)NCCC ZINC000044351551 670189702 /nfs/dbraw/zinc/18/97/02/670189702.db2.gz IUDSAEPNXCYTAW-UHFFFAOYSA-N 0 3 353.260 2.467 20 30 FEEDHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1cncc(C#N)c1 ZINC000574123525 671204348 /nfs/dbraw/zinc/20/43/48/671204348.db2.gz RBCWCYCJRMSDMX-UHFFFAOYSA-N 0 3 350.488 2.228 20 30 FEEDHN N#CCN1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000609339779 675919156 /nfs/dbraw/zinc/91/91/56/675919156.db2.gz REXHDNFEXWOYKD-INIZCTEOSA-N 0 3 361.515 2.172 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000578485757 671668564 /nfs/dbraw/zinc/66/85/64/671668564.db2.gz NOKAOIIYLPJECF-OLZOCXBDSA-N 0 3 364.467 2.285 20 30 FEEDHN C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000580659933 671823511 /nfs/dbraw/zinc/82/35/11/671823511.db2.gz LZHYVQHJKTTZDQ-AWEZNQCLSA-N 0 3 353.463 2.237 20 30 FEEDHN CC(=O)NCCN(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000580712594 671826565 /nfs/dbraw/zinc/82/65/65/671826565.db2.gz NFJFOWVYGCTADD-LBPRGKRZSA-N 0 3 362.499 2.141 20 30 FEEDHN CC[C@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1 ZINC000583170235 672069809 /nfs/dbraw/zinc/06/98/09/672069809.db2.gz QFXGQEJZLWYBQD-MSOLQXFVSA-N 0 3 364.515 2.260 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000170709528 672323939 /nfs/dbraw/zinc/32/39/39/672323939.db2.gz RKAIPIAJAFUMOI-ZDUSSCGKSA-N 0 3 361.423 2.116 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000171907830 672337529 /nfs/dbraw/zinc/33/75/29/672337529.db2.gz OHJAALHPAGHURJ-CQSZACIVSA-N 0 3 354.495 2.191 20 30 FEEDHN CN1CCN(CCCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611092790 676016855 /nfs/dbraw/zinc/01/68/55/676016855.db2.gz MKRRAIAVAWWIJQ-UHFFFAOYSA-N 0 3 355.269 2.232 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000592145160 672763506 /nfs/dbraw/zinc/76/35/06/672763506.db2.gz PSCGYAROWDPKMH-DZGCQCFKSA-N 0 3 354.376 2.421 20 30 FEEDHN CC(C)C[C@H](NC(=O)[C@H](N)CCCCC#N)C(=O)Nc1nccs1 ZINC000594447160 673073389 /nfs/dbraw/zinc/07/33/89/673073389.db2.gz UKSPXSDZZHEAIT-OLZOCXBDSA-N 0 3 351.476 2.024 20 30 FEEDHN CC[C@@H]1CN(C(=O)NC[C@@H]2CCCN(CC(C)C)C2)C[C@H](C)S1(=O)=O ZINC000329804625 673083525 /nfs/dbraw/zinc/08/35/25/673083525.db2.gz KGFVYFCITYSLMA-YESZJQIVSA-N 0 3 373.563 2.166 20 30 FEEDHN C[C@@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)CN1CCN(C)CC1 ZINC000726481331 673126071 /nfs/dbraw/zinc/12/60/71/673126071.db2.gz RTHFZDOHOVBNSV-ZDUSSCGKSA-N 0 3 365.934 2.382 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000728409206 673200929 /nfs/dbraw/zinc/20/09/29/673200929.db2.gz MMFAERJRXBFACL-MRXNPFEDSA-N 0 3 364.467 2.038 20 30 FEEDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000595631324 673276269 /nfs/dbraw/zinc/27/62/69/673276269.db2.gz HENBHGLJLRXXMF-LZWOXQAQSA-N 0 3 365.499 2.331 20 30 FEEDHN C[S@](=O)c1nncn1CC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000732717932 673379501 /nfs/dbraw/zinc/37/95/01/673379501.db2.gz LSCDRYVXDLCMBK-VDBVYFBLSA-N 0 3 371.447 2.015 20 30 FEEDHN COC(=O)c1cnc([C@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598628216 673592702 /nfs/dbraw/zinc/59/27/02/673592702.db2.gz LSGVRCGRSAIOTP-STQMWFEESA-N 0 3 351.472 2.410 20 30 FEEDHN COC1(C(F)(F)F)CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599439287 673675623 /nfs/dbraw/zinc/67/56/23/673675623.db2.gz NAYQQLKQCMHRRX-ZDUSSCGKSA-N 0 3 350.381 2.101 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1nnn(C)c1C ZINC000744028548 673779817 /nfs/dbraw/zinc/77/98/17/673779817.db2.gz JTERRFSQVXEJET-JTQLQIEISA-N 0 3 361.789 2.055 20 30 FEEDHN C[C@]12CN(Cc3ccc(C#N)cc3C(F)(F)F)C[C@]1(C)C(=O)NC2=O ZINC000602725297 673910331 /nfs/dbraw/zinc/91/03/31/673910331.db2.gz PBOYTZPWGSMJTK-HZPDHXFCSA-N 0 3 351.328 2.062 20 30 FEEDHN CN(C)[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)c1cccs1 ZINC000603276570 673921437 /nfs/dbraw/zinc/92/14/37/673921437.db2.gz PSYFLSBYDMHHOG-OAHLLOKOSA-N 0 3 364.496 2.123 20 30 FEEDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000615297188 676211044 /nfs/dbraw/zinc/21/10/44/676211044.db2.gz VJRJUHVKEKBMPK-ZIAGYGMSSA-N 0 3 361.389 2.338 20 30 FEEDHN C#C[C@H](NC(=O)N(C)CCCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000820565069 675370786 /nfs/dbraw/zinc/37/07/86/675370786.db2.gz JOYPUIYGRFHKDV-SFHVURJKSA-N 0 3 362.905 2.293 20 30 FEEDHN O=C(C#Cc1cccs1)NCc1ccccc1CN1CCC(O)CC1 ZINC000826684198 675700105 /nfs/dbraw/zinc/70/01/05/675700105.db2.gz KLVZQIISVACWEH-UHFFFAOYSA-N 0 3 354.475 2.373 20 30 FEEDHN N#Cc1ccc(NCC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000604446483 675804918 /nfs/dbraw/zinc/80/49/18/675804918.db2.gz XOELFVJDENDTSV-UHFFFAOYSA-N 0 3 358.511 2.448 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000623579231 676541831 /nfs/dbraw/zinc/54/18/31/676541831.db2.gz RZIZFOUCVYXVKH-CQSZACIVSA-N 0 3 359.396 2.326 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](CC)C(=O)NCc2cccs2)CC1 ZINC000645232473 677255939 /nfs/dbraw/zinc/25/59/39/677255939.db2.gz AUTVMHRMHOMIHK-MRXNPFEDSA-N 0 3 364.515 2.093 20 30 FEEDHN C[C@H]1CN(C(=S)Nc2ccccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000763297468 680778983 /nfs/dbraw/zinc/77/89/83/680778983.db2.gz AZMCOPKFSNJAHX-MAUKXSAKSA-N 0 3 357.527 2.213 20 30 FEEDHN CC(=O)N1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H](C)C1 ZINC000763634907 680788329 /nfs/dbraw/zinc/78/83/29/680788329.db2.gz JCKPNDOKDLPZJJ-JSGCOSHPSA-N 0 3 356.451 2.025 20 30 FEEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747842497 679906698 /nfs/dbraw/zinc/90/66/98/679906698.db2.gz GCPWXEPMTRJRFV-AWEZNQCLSA-N 0 3 354.495 2.230 20 30 FEEDHN CCC(C#N)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC000832650329 680159947 /nfs/dbraw/zinc/15/99/47/680159947.db2.gz KTPDFBDUMCBOSK-AAEUAGOBSA-N 0 3 358.316 2.335 20 30 FEEDHN C=CCN(CC=C)C(=O)CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000752084835 680222580 /nfs/dbraw/zinc/22/25/80/680222580.db2.gz XUVBLHOHWRBEBY-CVEARBPZSA-N 0 3 351.491 2.422 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@H]1CSc2ccccc2O1 ZINC000835058169 680292231 /nfs/dbraw/zinc/29/22/31/680292231.db2.gz KKARVSSZBVLMMA-UONOGXRCSA-N 0 3 362.451 2.181 20 30 FEEDHN Cn1ncc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000835065027 680292556 /nfs/dbraw/zinc/29/25/56/680292556.db2.gz JWRQPWANPZFVMV-NSHDSACASA-N 0 3 366.208 2.402 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NCc2csnc2OC)CC1 ZINC000997084291 680346906 /nfs/dbraw/zinc/34/69/06/680346906.db2.gz KNNUUBLHUZAHJJ-HOTGVXAUSA-N 0 3 365.499 2.214 20 30 FEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC000998927221 680391625 /nfs/dbraw/zinc/39/16/25/680391625.db2.gz DBFDYCIZZRTHAA-BACDZXNISA-N 0 3 366.893 2.219 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2cnc(Cl)s2)C1 ZINC000999427306 680403211 /nfs/dbraw/zinc/40/32/11/680403211.db2.gz HVJWXTSVEXJHFX-QUINOFQRSA-N 0 3 355.891 2.467 20 30 FEEDHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2nc(C#N)c(Cl)s2)C1)N(C)C ZINC001043261606 680569877 /nfs/dbraw/zinc/56/98/77/680569877.db2.gz KPYZWXOJAVFZGV-JLLWLGSASA-N 0 3 355.895 2.267 20 30 FEEDHN C[C@H](C[C@@H](O)c1cccs1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843108123 680988047 /nfs/dbraw/zinc/98/80/47/680988047.db2.gz RROUSJWMVNHXHK-CZUORRHYSA-N 0 3 364.492 2.495 20 30 FEEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nn1C ZINC000773980277 681163388 /nfs/dbraw/zinc/16/33/88/681163388.db2.gz PVWDFFMARKKESI-SNVBAGLBSA-N 0 3 362.773 2.052 20 30 FEEDHN C#CCC1(NCC(=O)N(C)CC(=O)Nc2ccccc2SC)CCC1 ZINC000933304016 681391103 /nfs/dbraw/zinc/39/11/03/681391103.db2.gz WVYCTCSCELIDEQ-UHFFFAOYSA-N 0 3 359.495 2.341 20 30 FEEDHN C=C(Br)CNC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000914418776 685507421 /nfs/dbraw/zinc/50/74/21/685507421.db2.gz WXNQVWIDCVEPTC-CYBMUJFWSA-N 0 3 360.296 2.180 20 30 FEEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916911549 685528560 /nfs/dbraw/zinc/52/85/60/685528560.db2.gz MTIGZJFULYXQEW-ZJUUUORDSA-N 0 3 363.830 2.297 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786181600 682357315 /nfs/dbraw/zinc/35/73/15/682357315.db2.gz IBEIHIUIJAHPRD-GDBMZVCRSA-N 0 3 351.491 2.399 20 30 FEEDHN Cn1nccc1COCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000793127421 682866165 /nfs/dbraw/zinc/86/61/65/682866165.db2.gz VFKJWBLUIZAARA-LBPRGKRZSA-N 0 3 364.764 2.077 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@H](O)[C@H]1CCCO1 ZINC000858226488 682946976 /nfs/dbraw/zinc/94/69/76/682946976.db2.gz OEDGDMLGOPHUNQ-GOEBONIOSA-N 0 3 354.244 2.091 20 30 FEEDHN C#CC[C@@H](CCOC)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000859024507 683028357 /nfs/dbraw/zinc/02/83/57/683028357.db2.gz GHLTZKWFQOTJLU-INIZCTEOSA-N 0 3 353.532 2.076 20 30 FEEDHN C#CCOc1ccc([C@H](C)NC[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797121460 683224170 /nfs/dbraw/zinc/22/41/70/683224170.db2.gz ZNXVCMKBDRAFFG-DOTOQJQBSA-N 0 3 350.484 2.163 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC000865193706 683949037 /nfs/dbraw/zinc/94/90/37/683949037.db2.gz NTMQVBDGQQQZAO-MRXNPFEDSA-N 0 3 359.417 2.056 20 30 FEEDHN C=C(Cl)C[C@@H]1NC(=O)N(CC2(N3CCSCC3)CCCC2)C1=O ZINC000865299807 683963902 /nfs/dbraw/zinc/96/39/02/683963902.db2.gz QRNWOWUHWOJBSA-ZDUSSCGKSA-N 0 3 357.907 2.411 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@@H](O)[C@H](C)O)cc1OCC ZINC000865741818 684021687 /nfs/dbraw/zinc/02/16/87/684021687.db2.gz SUDIRVBANHSZPU-SMDDNHRTSA-N 0 3 374.275 2.244 20 30 FEEDHN CN1Cc2ccccc2[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000872235527 684930322 /nfs/dbraw/zinc/93/03/22/684930322.db2.gz ILDNXDUQEHLKSG-IBGZPJMESA-N 0 3 355.463 2.108 20 30 FEEDHN C=C(C)CN1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC000872299703 684935718 /nfs/dbraw/zinc/93/57/18/684935718.db2.gz PVTIRGMEAWBPNH-ZNMIVQPWSA-N 0 3 351.447 2.077 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873895992 685241681 /nfs/dbraw/zinc/24/16/81/685241681.db2.gz KHYLZLKENQURSX-UHFFFAOYSA-N 0 3 360.216 2.142 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000876606258 686226999 /nfs/dbraw/zinc/22/69/99/686226999.db2.gz ZJVUAEUOPHWVSN-HUUCEWRRSA-N 0 3 351.834 2.095 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000876606259 686227090 /nfs/dbraw/zinc/22/70/90/686227090.db2.gz ZJVUAEUOPHWVSN-LSDHHAIUSA-N 0 3 351.834 2.095 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000876709717 686249786 /nfs/dbraw/zinc/24/97/86/686249786.db2.gz YQXAUMLYVIBSOF-ZDUSSCGKSA-N 0 3 364.902 2.410 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000876722390 686253399 /nfs/dbraw/zinc/25/33/99/686253399.db2.gz TXNLMANXXUXOPR-CVEARBPZSA-N 0 3 372.296 2.299 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000876781418 686267524 /nfs/dbraw/zinc/26/75/24/686267524.db2.gz LAAWVJDSRCWVSK-OKZBNKHCSA-N 0 3 365.905 2.252 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000877013121 686309626 /nfs/dbraw/zinc/30/96/26/686309626.db2.gz KHLXZZIOXDICIB-HUUCEWRRSA-N 0 3 358.269 2.131 20 30 FEEDHN COc1ccc(C[C@@H](CO)CNCc2cc(C#N)cnc2Cl)cc1O ZINC000877527475 686402159 /nfs/dbraw/zinc/40/21/59/686402159.db2.gz OCEXRMGMJAHXKM-CQSZACIVSA-N 0 3 361.829 2.262 20 30 FEEDHN CO[C@@H]1COCC[C@@H]1N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000880433366 687048484 /nfs/dbraw/zinc/04/84/84/687048484.db2.gz NKEZFXAOAFGHEW-DUVNUKRYSA-N 0 3 359.451 2.208 20 30 FEEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000882768869 687480651 /nfs/dbraw/zinc/48/06/51/687480651.db2.gz WZAVXXNPAGPPCY-UHFFFAOYSA-N 0 3 353.875 2.461 20 30 FEEDHN N#Cc1ccc(NCC(=O)NC[C@H](c2cccs2)N2CCCC2)nc1 ZINC000498075361 687745300 /nfs/dbraw/zinc/74/53/00/687745300.db2.gz XRDFZYQEKVNFAN-OAHLLOKOSA-N 0 3 355.467 2.380 20 30 FEEDHN CC1(C)Cc2nc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)sc2C(=O)C1 ZINC000884048366 687778467 /nfs/dbraw/zinc/77/84/67/687778467.db2.gz INHRQYFXUAOILQ-ARAINJGVSA-N 0 3 358.467 2.376 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1sccc1Br)C2 ZINC000884112625 687792478 /nfs/dbraw/zinc/79/24/78/687792478.db2.gz ROBLIADUWBLVKS-XIRUVYRFSA-N 0 3 354.273 2.266 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)C2 ZINC000884144987 687799470 /nfs/dbraw/zinc/79/94/70/687799470.db2.gz ZLNRWUNMDKORPZ-GDTXNAFHSA-N 0 3 368.264 2.282 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C2 ZINC000884145182 687799917 /nfs/dbraw/zinc/79/99/17/687799917.db2.gz DUMKBSPNKJDJDI-SQLBVSGCSA-N 0 3 369.309 2.469 20 30 FEEDHN CN(Cc1ccc(Br)o1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884379537 687858841 /nfs/dbraw/zinc/85/88/41/687858841.db2.gz AYRLKMQLNPOGBF-VTWZXRTESA-N 0 3 352.232 2.140 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885478526 688082659 /nfs/dbraw/zinc/08/26/59/688082659.db2.gz QNZQNLWCFSLFOL-LSDHHAIUSA-N 0 3 352.475 2.380 20 30 FEEDHN C#CCN(C(=O)Cc1csc(-c2cccnc2)n1)C1CCN(C)CC1 ZINC000886587159 688280186 /nfs/dbraw/zinc/28/01/86/688280186.db2.gz JJKCSINZDHZVFU-UHFFFAOYSA-N 0 3 354.479 2.304 20 30 FEEDHN N#Cc1ncc(Br)cc1NC[C@H]1CCN1C1CCOCC1 ZINC000896524401 689885234 /nfs/dbraw/zinc/88/52/34/689885234.db2.gz USRLPRWCBGJAOD-CYBMUJFWSA-N 0 3 351.248 2.381 20 30 FEEDHN C=CCN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000900310331 690498925 /nfs/dbraw/zinc/49/89/25/690498925.db2.gz OKVSEOUCHCPEJT-INIZCTEOSA-N 0 3 361.467 2.106 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000900598600 690536721 /nfs/dbraw/zinc/53/67/21/690536721.db2.gz KGGRWDWGLVBHBT-OAHLLOKOSA-N 0 3 353.260 2.249 20 30 FEEDHN C[C@@](O)(CN[C@H]1CCCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F ZINC000905183738 691076998 /nfs/dbraw/zinc/07/69/98/691076998.db2.gz UXPBFSDLGDEITR-IONNQARKSA-N 0 3 372.256 2.078 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5c(C#N)c[nH]c5n4)C[C@@H]3C2)cn1 ZINC001164773300 721148122 /nfs/dbraw/zinc/14/81/22/721148122.db2.gz YBPNVZWBYRZPEN-RDJZCZTQSA-N 0 3 361.453 2.126 20 30 FEEDHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1C#N ZINC001164981564 722111243 /nfs/dbraw/zinc/11/12/43/722111243.db2.gz UNSHLMWLUDIQAT-ICSRJNTNSA-N 0 3 363.465 2.384 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)cn2)[C@@H]1c1cnn(C)c1 ZINC000328627755 210116617 /nfs/dbraw/zinc/11/66/17/210116617.db2.gz NBAAIPIMGHBQDK-QFBILLFUSA-N 0 3 366.469 2.232 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000041855973 540036805 /nfs/dbraw/zinc/03/68/05/540036805.db2.gz FMHXPXPVJUZXSV-SFHVURJKSA-N 0 3 354.454 2.312 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000043085085 540087822 /nfs/dbraw/zinc/08/78/22/540087822.db2.gz XFSYSHBQJRWZHY-KBPBESRZSA-N 0 3 358.486 2.175 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000043085085 540087826 /nfs/dbraw/zinc/08/78/26/540087826.db2.gz XFSYSHBQJRWZHY-KBPBESRZSA-N 0 3 358.486 2.175 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(C)C ZINC000046049446 540239245 /nfs/dbraw/zinc/23/92/45/540239245.db2.gz ITCWIKUZNUOXFE-MDZRGWNJSA-N 0 3 365.543 2.255 20 30 FEEDHN CCN1CCN(CCCCNC(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000050108147 540399657 /nfs/dbraw/zinc/39/96/57/540399657.db2.gz QLIQISKBILPYNC-UHFFFAOYSA-N 0 3 359.474 2.106 20 30 FEEDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000051053221 540420271 /nfs/dbraw/zinc/42/02/71/540420271.db2.gz KVOUWBUQTCPQMC-WDSOQIARSA-N 0 3 373.497 2.315 20 30 FEEDHN N#Cc1cccc(OCCN2CCC(C(=O)Nc3cnccn3)CC2)c1 ZINC000054251152 540577790 /nfs/dbraw/zinc/57/77/90/540577790.db2.gz GOFUMUZEXGTFEC-UHFFFAOYSA-N 0 3 351.410 2.078 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)NCCN(C)Cc1ccccc1 ZINC000054265833 540579279 /nfs/dbraw/zinc/57/92/79/540579279.db2.gz HVUCVWZBLMOXDJ-UHFFFAOYSA-N 0 3 353.422 2.194 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000057126727 540770873 /nfs/dbraw/zinc/77/08/73/540770873.db2.gz NNPFOLANTRASNN-OAQYLSRUSA-N 0 3 369.509 2.294 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCCN1CCN(C)CC1 ZINC000058860001 540857991 /nfs/dbraw/zinc/85/79/91/540857991.db2.gz YJLAREDJJMSBSD-HXUWFJFHSA-N 0 3 372.513 2.105 20 30 FEEDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cccc(C#N)c1 ZINC000064382208 541204009 /nfs/dbraw/zinc/20/40/09/541204009.db2.gz MEXDVDDAWUNYNY-GOSISDBHSA-N 0 3 357.454 2.438 20 30 FEEDHN C=CCN1CCC(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066638986 541352466 /nfs/dbraw/zinc/35/24/66/541352466.db2.gz QFCLGTKJARIQCY-UHFFFAOYSA-N 0 3 368.481 2.480 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCN(C)CC1 ZINC000066982362 541402878 /nfs/dbraw/zinc/40/28/78/541402878.db2.gz DSTOZEKDAJLWQE-CYBMUJFWSA-N 0 3 360.483 2.230 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 ZINC000067127887 541421318 /nfs/dbraw/zinc/42/13/18/541421318.db2.gz RLJNKKPCRHJJGU-UHFFFAOYSA-N 0 3 361.873 2.460 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000067438564 541464703 /nfs/dbraw/zinc/46/47/03/541464703.db2.gz RGLPCEHHHJFJPW-BZUAXINKSA-N 0 3 372.469 2.010 20 30 FEEDHN Cc1ncc(CON=C(N)c2ccccc2CN2CCC(O)CC2)s1 ZINC000068776604 541626321 /nfs/dbraw/zinc/62/63/21/541626321.db2.gz XDKRPCRNAWPUOM-UHFFFAOYSA-N 0 3 360.483 2.245 20 30 FEEDHN CN1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069383721 541681443 /nfs/dbraw/zinc/68/14/43/541681443.db2.gz OQAJRWPAZJJQAB-MRXNPFEDSA-N 0 3 359.449 2.060 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000074458223 542086325 /nfs/dbraw/zinc/08/63/25/542086325.db2.gz ZKCNHUBVMZCEKM-OAHLLOKOSA-N 0 3 351.468 2.420 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OCC)c(Cl)c2)CC1 ZINC000076526127 542288949 /nfs/dbraw/zinc/28/89/49/542288949.db2.gz UMBIMWZXTMIDBR-UHFFFAOYSA-N 0 3 365.861 2.444 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OCCC)cc2C)CC1 ZINC000076526329 542289188 /nfs/dbraw/zinc/28/91/88/542289188.db2.gz GBSMAQQLAMSNEV-UHFFFAOYSA-N 0 3 359.470 2.489 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000076593101 542298609 /nfs/dbraw/zinc/29/86/09/542298609.db2.gz HAQQEAPCTYRFCO-MAUKXSAKSA-N 0 3 361.511 2.424 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(C(=O)N2CCCC2)CC1 ZINC000077248099 542359346 /nfs/dbraw/zinc/35/93/46/542359346.db2.gz PQHQYEGJOGDELI-UHFFFAOYSA-N 0 3 357.454 2.280 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCCOCC2CCOCC2)CC1 ZINC000077567011 542398398 /nfs/dbraw/zinc/39/83/98/542398398.db2.gz AFPQWUQAOPZPRY-UHFFFAOYSA-N 0 3 353.507 2.159 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)C(C)C ZINC000081478408 542659701 /nfs/dbraw/zinc/65/97/01/542659701.db2.gz DPBHJHZCEDMXDL-GOEBONIOSA-N 0 3 363.424 2.394 20 30 FEEDHN COC(=O)[C@H](NCC1(N2CCCC2)CCOCC1)c1cccc(C#N)c1 ZINC000083031353 542690151 /nfs/dbraw/zinc/69/01/51/542690151.db2.gz XPKUCEPDVAKJES-GOSISDBHSA-N 0 3 357.454 2.007 20 30 FEEDHN CN(C)CCOc1ccc(CNC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC000089757499 542769720 /nfs/dbraw/zinc/76/97/20/542769720.db2.gz FIEXFUOEGKTORR-UHFFFAOYSA-N 0 3 367.449 2.388 20 30 FEEDHN C[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000101655181 543040070 /nfs/dbraw/zinc/04/00/70/543040070.db2.gz PYCCJDFMSPOCGW-BBWFWOEESA-N 0 3 355.486 2.253 20 30 FEEDHN COCCN(C)CCCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000102803135 543081124 /nfs/dbraw/zinc/08/11/24/543081124.db2.gz PIHVLDACYWKILB-UHFFFAOYSA-N 0 3 356.373 2.249 20 30 FEEDHN CC[C@H](C)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000104686149 543137578 /nfs/dbraw/zinc/13/75/78/543137578.db2.gz MOWIRVAANNXMEK-AWEZNQCLSA-N 0 3 371.441 2.185 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000106038001 543186176 /nfs/dbraw/zinc/18/61/76/543186176.db2.gz XKWNMJXXKNZFJD-MRXNPFEDSA-N 0 3 371.481 2.347 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Cc2csc(NC(=O)C(C)C)n2)CC1 ZINC000106036035 543186333 /nfs/dbraw/zinc/18/63/33/543186333.db2.gz INZBAKCVQLPGCO-UHFFFAOYSA-N 0 3 364.515 2.437 20 30 FEEDHN CCOCCN1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000106105804 543198441 /nfs/dbraw/zinc/19/84/41/543198441.db2.gz IJMWMXKGDRCJIM-UHFFFAOYSA-N 0 3 364.877 2.194 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCN2CCc3sccc3C2)CC1 ZINC000106265726 543221422 /nfs/dbraw/zinc/22/14/22/543221422.db2.gz JBHYVQNDBQPFCJ-UHFFFAOYSA-N 0 3 362.543 2.446 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccnc2-n2cccn2)CC1 ZINC000106263274 543221873 /nfs/dbraw/zinc/22/18/73/543221873.db2.gz DFYVKMNMQBPADT-UHFFFAOYSA-N 0 3 354.458 2.107 20 30 FEEDHN CC1CCN([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)c2cccs2)CC1 ZINC000106328506 543223337 /nfs/dbraw/zinc/22/33/37/543223337.db2.gz SDCDMJRSLCLGNC-JKSUJKDBSA-N 0 3 362.499 2.455 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(-c3cnco3)c2)CC1 ZINC000106348990 543224804 /nfs/dbraw/zinc/22/48/04/543224804.db2.gz OWMLSJQCUBEZKU-UHFFFAOYSA-N 0 3 368.437 2.437 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000111613876 543408607 /nfs/dbraw/zinc/40/86/07/543408607.db2.gz YJUXCSMQCCZUAW-UHFFFAOYSA-N 0 3 370.409 2.207 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000111910932 543424628 /nfs/dbraw/zinc/42/46/28/543424628.db2.gz ZRHHSVVKQXQPBH-HNNXBMFYSA-N 0 3 350.422 2.133 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)C(C)C ZINC000112919771 543468407 /nfs/dbraw/zinc/46/84/07/543468407.db2.gz FKNDPFSYEAVNNV-KRWDZBQOSA-N 0 3 354.454 2.352 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc2ccc(C)cn2c1=O)C(C)C ZINC000112919825 543468777 /nfs/dbraw/zinc/46/87/77/543468777.db2.gz JHQKPKUMUNSOLE-GOSISDBHSA-N 0 3 368.481 2.431 20 30 FEEDHN CC(C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000114685801 543529693 /nfs/dbraw/zinc/52/96/93/543529693.db2.gz BKUQOVCJPKBNPP-KBXCAEBGSA-N 0 3 372.446 2.380 20 30 FEEDHN CC(C)N(C)CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000118122375 543646843 /nfs/dbraw/zinc/64/68/43/543646843.db2.gz WDYAURZKNFZXCO-UHFFFAOYSA-N 0 3 363.461 2.481 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)CCc2ccc(C#N)cc2)ccn1 ZINC000124352941 543815607 /nfs/dbraw/zinc/81/56/07/543815607.db2.gz WKZVSSJSWLQTCN-UHFFFAOYSA-N 0 3 352.438 2.143 20 30 FEEDHN N#Cc1ccc([C@H](O)CN[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000126905165 543962752 /nfs/dbraw/zinc/96/27/52/543962752.db2.gz VVJAKWFIZCRQLC-LEWJYISDSA-N 0 3 351.450 2.255 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CN1C1CC1 ZINC000127555474 544000314 /nfs/dbraw/zinc/00/03/14/544000314.db2.gz RYAOOKPUEPAEAE-CABCVRRESA-N 0 3 371.460 2.154 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)Nc2ccc(CC#N)cc2)ccn1 ZINC000128835186 544076387 /nfs/dbraw/zinc/07/63/87/544076387.db2.gz DCNJRERMEZBMAC-UHFFFAOYSA-N 0 3 353.426 2.410 20 30 FEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000133916874 544288068 /nfs/dbraw/zinc/28/80/68/544288068.db2.gz PGWBGJIPXVSUFI-OAHLLOKOSA-N 0 3 374.510 2.431 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000151463093 544545394 /nfs/dbraw/zinc/54/53/94/544545394.db2.gz CRRZEWUZIMPMOW-KRWDZBQOSA-N 0 3 354.454 2.364 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000151986645 544603707 /nfs/dbraw/zinc/60/37/07/544603707.db2.gz FRYDOMOXVMVAMR-MRXNPFEDSA-N 0 3 351.447 2.336 20 30 FEEDHN CCOc1ccc(NC(=O)[C@H](C)N(C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000153321254 544761419 /nfs/dbraw/zinc/76/14/19/544761419.db2.gz JEXYMZFIPGGWQY-ZDUSSCGKSA-N 0 3 370.457 2.154 20 30 FEEDHN C=CCCOCCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000154706381 544939800 /nfs/dbraw/zinc/93/98/00/544939800.db2.gz YHQAMGITTAORRT-UHFFFAOYSA-N 0 3 359.470 2.320 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000552689086 674220182 /nfs/dbraw/zinc/22/01/82/674220182.db2.gz OCVAVWSCPBMPMX-INIZCTEOSA-N 0 3 363.527 2.499 20 30 FEEDHN Cn1cc(CN2CCN(C[C@@H]3CCOC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180231596 327677401 /nfs/dbraw/zinc/67/74/01/327677401.db2.gz MZQVWJCEAYQUGK-SFHVURJKSA-N 0 3 365.481 2.113 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](CCO)C2CCCCC2)cc1 ZINC000181498223 327733148 /nfs/dbraw/zinc/73/31/48/327733148.db2.gz OBNSVAQLJPIQMB-SFHVURJKSA-N 0 3 350.484 2.253 20 30 FEEDHN C#C[C@@H](NC(=O)CCN1CCN(CC)CC1)c1ccc(Cl)cc1F ZINC000804420415 674285684 /nfs/dbraw/zinc/28/56/84/674285684.db2.gz HVXDAVNEJIPYDT-QGZVFWFLSA-N 0 3 351.853 2.297 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000189381260 328144543 /nfs/dbraw/zinc/14/45/43/328144543.db2.gz FZMVDSNBVRUCDF-QGZVFWFLSA-N 0 3 373.501 2.452 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](CC(C)C)CN(C)C)CC2)o1 ZINC000189490809 328151338 /nfs/dbraw/zinc/15/13/38/328151338.db2.gz CUQJGQQLKXFLSV-INIZCTEOSA-N 0 3 361.490 2.164 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000191254839 328256652 /nfs/dbraw/zinc/25/66/52/328256652.db2.gz QRKMUKZQWJZNCZ-KDOFPFPSSA-N 0 3 350.422 2.304 20 30 FEEDHN Cn1cc(CNCCN2CCN(c3cccc(Cl)c3)CC2)cc1C#N ZINC000191352408 328261400 /nfs/dbraw/zinc/26/14/00/328261400.db2.gz IVISDOFQWRQBAW-UHFFFAOYSA-N 0 3 357.889 2.462 20 30 FEEDHN CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCCC1 ZINC000192722563 328335328 /nfs/dbraw/zinc/33/53/28/328335328.db2.gz LQEHEICFRVOCHN-INIZCTEOSA-N 0 3 373.501 2.290 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000089942680 325343601 /nfs/dbraw/zinc/34/36/01/325343601.db2.gz VAEUYPWNDOCISS-QGZVFWFLSA-N 0 3 370.432 2.063 20 30 FEEDHN CC(C)N1CCCC[C@H]1C(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000118780474 326102048 /nfs/dbraw/zinc/10/20/48/326102048.db2.gz VOYZCWDJIVYLBI-SFHVURJKSA-N 0 3 355.486 2.255 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118810781 326104460 /nfs/dbraw/zinc/10/44/60/326104460.db2.gz DWSSAPCOVRQRHG-IRXDYDNUSA-N 0 3 357.502 2.192 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000118852204 326108490 /nfs/dbraw/zinc/10/84/90/326108490.db2.gz XTQAXOBXPNMJHB-LJQANCHMSA-N 0 3 371.481 2.022 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120736221 326283695 /nfs/dbraw/zinc/28/36/95/326283695.db2.gz ZFMNROJQYFXJIR-OTWHNJEPSA-N 0 3 370.497 2.445 20 30 FEEDHN CN(C)CCOc1ccc(NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000125351500 326470145 /nfs/dbraw/zinc/47/01/45/326470145.db2.gz VGRFRAAZIRDLFO-UHFFFAOYSA-N 0 3 370.384 2.215 20 30 FEEDHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000154776202 326768770 /nfs/dbraw/zinc/76/87/70/326768770.db2.gz ZQGBTUMTDATDLM-UHFFFAOYSA-N 0 3 366.421 2.309 20 30 FEEDHN N#Cc1ccc(NCC(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc1 ZINC000159590487 326936347 /nfs/dbraw/zinc/93/63/47/326936347.db2.gz NROSHVQIEQSFEB-IBGZPJMESA-N 0 3 356.470 2.074 20 30 FEEDHN CC1CCN(CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000160446874 326965970 /nfs/dbraw/zinc/96/59/70/326965970.db2.gz SMGLXGILLWCFFC-UHFFFAOYSA-N 0 3 353.463 2.239 20 30 FEEDHN COc1ccc(CNCc2ccnc(N3CCN(C)CC3)c2)cc1C#N ZINC000174274075 327316770 /nfs/dbraw/zinc/31/67/70/327316770.db2.gz GOJQZADTRCFVQX-UHFFFAOYSA-N 0 3 351.454 2.003 20 30 FEEDHN COCCN(CCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000264267011 329005940 /nfs/dbraw/zinc/00/59/40/329005940.db2.gz KPCLSPMOZJTURS-UHFFFAOYSA-N 0 3 365.499 2.158 20 30 FEEDHN CCN(CC)C(=O)CCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000264761948 329057711 /nfs/dbraw/zinc/05/77/11/329057711.db2.gz LNURZGVURVFMFR-UHFFFAOYSA-N 0 3 372.513 2.487 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cn1 ZINC000267426272 329326020 /nfs/dbraw/zinc/32/60/20/329326020.db2.gz VMBRYIRHFZATCS-GOSISDBHSA-N 0 3 362.481 2.387 20 30 FEEDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1N(C)C ZINC000270659665 329619616 /nfs/dbraw/zinc/61/96/16/329619616.db2.gz OJQXQXVMESMHTE-BYCMXARLSA-N 0 3 350.488 2.073 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000275893443 330100769 /nfs/dbraw/zinc/10/07/69/330100769.db2.gz HWPIZFRSCAVOGS-KGLIPLIRSA-N 0 3 360.845 2.235 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)c(Cl)c1 ZINC000275989095 330109363 /nfs/dbraw/zinc/10/93/63/330109363.db2.gz JMEDBGPFGMCXTB-CQSZACIVSA-N 0 3 360.845 2.237 20 30 FEEDHN C=CCOc1ccc(CNC[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1 ZINC000554722714 674332603 /nfs/dbraw/zinc/33/26/03/674332603.db2.gz BGDXINPMQACDRY-QGZVFWFLSA-N 0 3 367.515 2.002 20 30 FEEDHN N#CC(C(=O)COCc1ccccn1)C(=O)NCc1cccc(Cl)c1 ZINC000805926029 674360518 /nfs/dbraw/zinc/36/05/18/674360518.db2.gz JSVVSBYACSZVFJ-MRXNPFEDSA-N 0 3 357.797 2.277 20 30 FEEDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157243930 545717801 /nfs/dbraw/zinc/71/78/01/545717801.db2.gz GPMGJZAEKQASLN-NSHDSACASA-N 0 3 361.389 2.149 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000158350640 545851834 /nfs/dbraw/zinc/85/18/34/545851834.db2.gz IKDBPARPQFFWAG-FXAWDEMLSA-N 0 3 371.481 2.429 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000158386170 545854623 /nfs/dbraw/zinc/85/46/23/545854623.db2.gz WFROKIMIIFDROQ-INIZCTEOSA-N 0 3 367.453 2.363 20 30 FEEDHN CCOC(=O)CC[C@@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000161912908 546135655 /nfs/dbraw/zinc/13/56/55/546135655.db2.gz XKDRBOOFQADAJP-ROUUACIJSA-N 0 3 360.454 2.353 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(NC(=O)c2ccoc2)CC1 ZINC000166519256 546157521 /nfs/dbraw/zinc/15/75/21/546157521.db2.gz MDANYFWRTXSWNJ-UHFFFAOYSA-N 0 3 366.421 2.374 20 30 FEEDHN N=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccn1 ZINC000170905865 546181743 /nfs/dbraw/zinc/18/17/43/546181743.db2.gz VKRFJESKNHXOIJ-UHFFFAOYSA-N 0 3 373.482 2.183 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccc(Cn3ccnc3)c2)CC1 ZINC000171710084 546219580 /nfs/dbraw/zinc/21/95/80/546219580.db2.gz DRHFTASYSBLBKD-UHFFFAOYSA-N 0 3 353.470 2.381 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000171717304 546220582 /nfs/dbraw/zinc/22/05/82/546220582.db2.gz KUUWEMQLXWGGAH-UHFFFAOYSA-N 0 3 371.890 2.092 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000175386995 546309308 /nfs/dbraw/zinc/30/93/08/546309308.db2.gz YSRXGEAEUHUCSB-HXUWFJFHSA-N 0 3 369.513 2.260 20 30 FEEDHN CN(CCNC(=O)NCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000175815601 546355584 /nfs/dbraw/zinc/35/55/84/546355584.db2.gz SMDYGNSFIJEQNR-UHFFFAOYSA-N 0 3 352.438 2.368 20 30 FEEDHN N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000176001630 546389224 /nfs/dbraw/zinc/38/92/24/546389224.db2.gz GWPLBQUTBQBPDT-MRXNPFEDSA-N 0 3 358.417 2.017 20 30 FEEDHN Cn1cc(CNc2ccccc2CN2CCC[C@@H](C(N)=O)C2)cc1C#N ZINC000480295223 561206611 /nfs/dbraw/zinc/20/66/11/561206611.db2.gz QXVBYTTZRZCYAR-QGZVFWFLSA-N 0 3 351.454 2.206 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2cccnc2)cc1 ZINC000481003128 561222576 /nfs/dbraw/zinc/22/25/76/561222576.db2.gz UCSXXXIEHVGVHA-ZDUSSCGKSA-N 0 3 358.423 2.431 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)CN1CCCCC1 ZINC000481051050 561223953 /nfs/dbraw/zinc/22/39/53/561223953.db2.gz BPHZWHMMMLQKQU-CQSZACIVSA-N 0 3 353.463 2.239 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000178473972 546799766 /nfs/dbraw/zinc/79/97/66/546799766.db2.gz PLEGLVJFZPEQGK-HNNXBMFYSA-N 0 3 364.449 2.442 20 30 FEEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCOC1 ZINC000178788013 546850438 /nfs/dbraw/zinc/85/04/38/546850438.db2.gz MCRVXMYHVNQMHS-OAHLLOKOSA-N 0 3 354.372 2.141 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179508296 546968293 /nfs/dbraw/zinc/96/82/93/546968293.db2.gz JBPCNYVDLRBOIT-DLBZAZTESA-N 0 3 367.453 2.173 20 30 FEEDHN C#CCCOc1ccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000179893162 547025767 /nfs/dbraw/zinc/02/57/67/547025767.db2.gz SQWPNDGBKAZUGP-LJQANCHMSA-N 0 3 356.466 2.160 20 30 FEEDHN C=C(C)Cn1c(SCC(=O)N(C)CCN(C)C)nnc1-c1ccco1 ZINC000482516807 561255462 /nfs/dbraw/zinc/25/54/62/561255462.db2.gz YXYHDLQTZDBOPY-UHFFFAOYSA-N 0 3 363.487 2.226 20 30 FEEDHN COc1cnccc1N1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000483193429 561269897 /nfs/dbraw/zinc/26/98/97/561269897.db2.gz IHTPFPBZGLGEEI-HNNXBMFYSA-N 0 3 365.437 2.111 20 30 FEEDHN CC#CCCNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000483430148 561277056 /nfs/dbraw/zinc/27/70/56/561277056.db2.gz VCSDEZUWCUJAJX-IBGZPJMESA-N 0 3 369.513 2.039 20 30 FEEDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000181613462 547344115 /nfs/dbraw/zinc/34/41/15/547344115.db2.gz IEYZDFLLPXEJNN-CYBMUJFWSA-N 0 3 374.422 2.096 20 30 FEEDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000181612365 547344662 /nfs/dbraw/zinc/34/46/62/547344662.db2.gz YBRQIFBTKJHWFJ-ZDUSSCGKSA-N 0 3 374.422 2.096 20 30 FEEDHN CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)N1CCCC1 ZINC000181737353 547370207 /nfs/dbraw/zinc/37/02/07/547370207.db2.gz XOAUGTNUVVLEPT-RDJZCZTQSA-N 0 3 372.469 2.153 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC[C@@H]2CCCO2)cc1 ZINC000483623630 561280805 /nfs/dbraw/zinc/28/08/05/561280805.db2.gz PPCBOZOMDCOUBP-ZFWWWQNUSA-N 0 3 365.455 2.405 20 30 FEEDHN CNS(=O)(=O)c1cccc([C@@H](C)NCCOc2cccc(C#N)c2)c1 ZINC000181944291 547411693 /nfs/dbraw/zinc/41/16/93/547411693.db2.gz ZVUDABGCBQPGHU-CQSZACIVSA-N 0 3 359.451 2.196 20 30 FEEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CCC3)C2)CC1 ZINC000182851470 547562065 /nfs/dbraw/zinc/56/20/65/547562065.db2.gz VVPCZNVMFASSLR-INIZCTEOSA-N 0 3 358.511 2.333 20 30 FEEDHN CC(=O)NC[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000183249842 547626862 /nfs/dbraw/zinc/62/68/62/547626862.db2.gz AGNRHMWCVFAVDN-QGZVFWFLSA-N 0 3 351.454 2.307 20 30 FEEDHN N#CC(C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1nnc2n1CCCCC2 ZINC000183514166 547673771 /nfs/dbraw/zinc/67/37/71/547673771.db2.gz RYAACLJTDQODOY-CABCVRRESA-N 0 3 367.409 2.057 20 30 FEEDHN CO/N=C/c1ccc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 ZINC000183783538 547718840 /nfs/dbraw/zinc/71/88/40/547718840.db2.gz QTHKXLDENVRYEU-QOOAHNBZSA-N 0 3 367.449 2.164 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)CC1 ZINC000184119878 547772230 /nfs/dbraw/zinc/77/22/30/547772230.db2.gz UERSHOQGAZPQOJ-INIZCTEOSA-N 0 3 351.491 2.400 20 30 FEEDHN CC(C)(C#N)CNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000484791895 561306200 /nfs/dbraw/zinc/30/62/00/561306200.db2.gz ZIJXRCJVCPQRCT-UHFFFAOYSA-N 0 3 371.529 2.433 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184213908 547787639 /nfs/dbraw/zinc/78/76/39/547787639.db2.gz JJGOHBHTMLFFIW-INIZCTEOSA-N 0 3 373.501 2.493 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184213924 547787744 /nfs/dbraw/zinc/78/77/44/547787744.db2.gz JJGOHBHTMLFFIW-MRXNPFEDSA-N 0 3 373.501 2.493 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(-c3nnnn3C3CC3)c2)CC1 ZINC000184608757 547853237 /nfs/dbraw/zinc/85/32/37/547853237.db2.gz FXJUJJRQNKYHQM-UHFFFAOYSA-N 0 3 364.453 2.267 20 30 FEEDHN CN(C)[C@H](CNC(=O)CN(CCC#N)Cc1ccccn1)c1ccccc1 ZINC000184978737 547911231 /nfs/dbraw/zinc/91/12/31/547911231.db2.gz KGTKGLUTGDEPMX-HXUWFJFHSA-N 0 3 365.481 2.216 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000189687452 548308202 /nfs/dbraw/zinc/30/82/02/548308202.db2.gz SAFKJUNUAIYADC-HXUWFJFHSA-N 0 3 359.470 2.067 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc3ccn(C)c32)CC1 ZINC000190509972 548326182 /nfs/dbraw/zinc/32/61/82/548326182.db2.gz KMLFHOVDHVNERN-UHFFFAOYSA-N 0 3 354.454 2.274 20 30 FEEDHN C=C(C)COCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190582271 548329221 /nfs/dbraw/zinc/32/92/21/548329221.db2.gz PFCKQPVHLRBOCO-IBGZPJMESA-N 0 3 361.486 2.169 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(CC#Cc3ccccc3)CC2)CC1 ZINC000192016312 548356221 /nfs/dbraw/zinc/35/62/21/548356221.db2.gz KCVFYDOTMXOBFT-UHFFFAOYSA-N 0 3 353.510 2.304 20 30 FEEDHN C[C@@H]1CCNC(=O)[C@H]1NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193630441 548391235 /nfs/dbraw/zinc/39/12/35/548391235.db2.gz DRTNHWPZSMSBCX-PXAZEXFGSA-N 0 3 374.510 2.331 20 30 FEEDHN N#CC(C(=O)c1ccc(C(N)=O)nc1)c1nc2ccccc2n1C(F)F ZINC000194413195 548477806 /nfs/dbraw/zinc/47/78/06/548477806.db2.gz NKKSNZYRZWXUBK-SNVBAGLBSA-N 0 3 355.304 2.415 20 30 FEEDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(C#N)c(C)n1 ZINC000195185282 548592567 /nfs/dbraw/zinc/59/25/67/548592567.db2.gz VSGUZOMXDHSYDX-KRWDZBQOSA-N 0 3 372.469 2.141 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000487812770 561376299 /nfs/dbraw/zinc/37/62/99/561376299.db2.gz BWJXIFVKNRZHRI-INIZCTEOSA-N 0 3 357.498 2.063 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](Cn4ccnn4)C3)C2=O)cc1 ZINC000245536574 548940948 /nfs/dbraw/zinc/94/09/48/548940948.db2.gz XIRKPYFFIJUZCK-IEBWSBKVSA-N 0 3 364.453 2.057 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000245587485 548952359 /nfs/dbraw/zinc/95/23/59/548952359.db2.gz FEECUTYPPJRFDG-ZHALLVOQSA-N 0 3 362.495 2.284 20 30 FEEDHN Cc1oc(NC(=O)[C@@H](C)N2CCC(N3CCO[C@@H](C)C3)CC2)c(C#N)c1C ZINC000246292640 549098520 /nfs/dbraw/zinc/09/85/20/549098520.db2.gz VGYVLUZKIZCVOE-DZGCQCFKSA-N 0 3 374.485 2.280 20 30 FEEDHN C=CCn1cccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000488824687 561397730 /nfs/dbraw/zinc/39/77/30/561397730.db2.gz ZKRVRUBFWVDDKQ-RTBURBONSA-N 0 3 353.466 2.287 20 30 FEEDHN CCOC(=O)CC[C@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246894623 549237236 /nfs/dbraw/zinc/23/72/36/549237236.db2.gz XKDRBOOFQADAJP-QZTJIDSGSA-N 0 3 360.454 2.353 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC[C@@H](C2CCCCC2)N(C)C)cc1C#N ZINC000489111951 561403581 /nfs/dbraw/zinc/40/35/81/561403581.db2.gz BSOYXQYXUWTOHL-KRWDZBQOSA-N 0 3 350.488 2.051 20 30 FEEDHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1[C@H](C)CC[C@@H]1C ZINC000248988357 549536605 /nfs/dbraw/zinc/53/66/05/549536605.db2.gz GSYFQKHWYPMIJD-OLMMMNRUSA-N 0 3 368.481 2.037 20 30 FEEDHN C=CCOc1cccc(CN2CCC(c3nnc4n3CCNC4)CC2)c1 ZINC000261781351 549755077 /nfs/dbraw/zinc/75/50/77/549755077.db2.gz QCJPJUOGRUIOBM-UHFFFAOYSA-N 0 3 353.470 2.326 20 30 FEEDHN Cc1ncc(CO)c(/C=N/CCc2ccc(OCC[NH+](C)C)cc2)c1[O-] ZINC000264195294 549991120 /nfs/dbraw/zinc/99/11/20/549991120.db2.gz PSNWDAMWJUITMN-FYJGNVAPSA-N 0 3 357.454 2.190 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC1CCN(C(C)=O)CC1)C(C)C ZINC000264222113 549993105 /nfs/dbraw/zinc/99/31/05/549993105.db2.gz CGXKSEHGZWDCJS-LJQANCHMSA-N 0 3 364.534 2.243 20 30 FEEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)CC1 ZINC000264424119 549996082 /nfs/dbraw/zinc/99/60/82/549996082.db2.gz RSKHYLQHVKCRNU-UHFFFAOYSA-N 0 3 356.470 2.110 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@H](N(C)C)C1 ZINC000264656392 549999770 /nfs/dbraw/zinc/99/97/70/549999770.db2.gz ZPDUNOKCMCEDFJ-SJORKVTESA-N 0 3 358.486 2.356 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000265902847 550015074 /nfs/dbraw/zinc/01/50/74/550015074.db2.gz DGXAUKTTXGQAEE-KRWDZBQOSA-N 0 3 373.884 2.297 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)CC1 ZINC000266351740 550019490 /nfs/dbraw/zinc/01/94/90/550019490.db2.gz NSPJLOUUOGCDJM-UHFFFAOYSA-N 0 3 361.442 2.042 20 30 FEEDHN C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1 ZINC000266871368 550025305 /nfs/dbraw/zinc/02/53/05/550025305.db2.gz NAUVWRSGCCAUFD-MSOLQXFVSA-N 0 3 369.465 2.111 20 30 FEEDHN C=CCN(CC=C)C(=O)CN(C)C1CCN(CCc2ccccn2)CC1 ZINC000267423017 550031025 /nfs/dbraw/zinc/03/10/25/550031025.db2.gz WVIKHBOFICZECM-UHFFFAOYSA-N 0 3 356.514 2.221 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269066366 550150863 /nfs/dbraw/zinc/15/08/63/550150863.db2.gz CWMXBVMOOSMXJL-QWHCGFSZSA-N 0 3 362.861 2.387 20 30 FEEDHN N#Cc1ccc(/C=C/C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000269587127 550208677 /nfs/dbraw/zinc/20/86/77/550208677.db2.gz XJGPQKDZWHFYKC-LCCNJJIFSA-N 0 3 361.445 2.107 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000270852720 550314272 /nfs/dbraw/zinc/31/42/72/550314272.db2.gz MCJOXIJFUFOJTF-PZJWPPBQSA-N 0 3 363.461 2.480 20 30 FEEDHN C=CCc1cc(CN(C)C[C@H](O)COCCOC(C)C)cc(OC)c1O ZINC000271126366 550342840 /nfs/dbraw/zinc/34/28/40/550342840.db2.gz HJDPEILUKJHAFJ-SFHVURJKSA-N 0 3 367.486 2.364 20 30 FEEDHN CCN1CCN(CCCNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494151088 561463556 /nfs/dbraw/zinc/46/35/56/561463556.db2.gz XWSZYMKCCBLABK-FQEVSTJZSA-N 0 3 372.513 2.105 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000494315977 561467030 /nfs/dbraw/zinc/46/70/30/561467030.db2.gz SVWNBJSNQLGNKG-QHAWAJNXSA-N 0 3 371.525 2.463 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272672098 550464099 /nfs/dbraw/zinc/46/40/99/550464099.db2.gz JFYWASIIKVXNQM-OAHLLOKOSA-N 0 3 357.454 2.492 20 30 FEEDHN C=CCS(=O)(=O)CCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000272856442 550473525 /nfs/dbraw/zinc/47/35/25/550473525.db2.gz OWALUQZHDALFPF-HNNXBMFYSA-N 0 3 367.515 2.016 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCOCC2CC2)cc1 ZINC000278656464 550808530 /nfs/dbraw/zinc/80/85/30/550808530.db2.gz QCTZDAJPAFPLQX-ZDUSSCGKSA-N 0 3 365.455 2.311 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(=O)N2CCCc3ccccc32)cc1 ZINC000279262319 550871013 /nfs/dbraw/zinc/87/10/13/550871013.db2.gz IHZHHMYCEIZPBS-LJQANCHMSA-N 0 3 372.428 2.336 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)n1 ZINC000279498724 550896816 /nfs/dbraw/zinc/89/68/16/550896816.db2.gz NUWBQBHENUSNCB-FQEVSTJZSA-N 0 3 367.497 2.221 20 30 FEEDHN CN(CCOc1ccc(C#N)cc1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279718912 550920867 /nfs/dbraw/zinc/92/08/67/550920867.db2.gz MEZACQPCHUDAJH-HKUYNNGSSA-N 0 3 371.460 2.215 20 30 FEEDHN CCCNC(=O)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279808905 550931263 /nfs/dbraw/zinc/93/12/63/550931263.db2.gz XBWBRZUVDXGYTG-GOSISDBHSA-N 0 3 352.438 2.005 20 30 FEEDHN CC1(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)OCCO1 ZINC000280443481 550994602 /nfs/dbraw/zinc/99/46/02/550994602.db2.gz QXAWMNDSVMEEEZ-QGZVFWFLSA-N 0 3 353.422 2.242 20 30 FEEDHN Cc1cccc(OC[C@@H](O)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280485499 550999271 /nfs/dbraw/zinc/99/92/71/550999271.db2.gz VEUSGKBUJRNMIT-MOPGFXCFSA-N 0 3 363.417 2.105 20 30 FEEDHN COCCCOC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280548834 551006588 /nfs/dbraw/zinc/00/65/88/551006588.db2.gz ZZZPOGAVOLKKQA-GOSISDBHSA-N 0 3 355.438 2.285 20 30 FEEDHN COc1ccccc1CN(CCO)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281359138 551088274 /nfs/dbraw/zinc/08/82/74/551088274.db2.gz ALPKOIVUENAOCL-LJQANCHMSA-N 0 3 363.417 2.270 20 30 FEEDHN C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C(C)C ZINC000281521477 551108592 /nfs/dbraw/zinc/10/85/92/551108592.db2.gz LSRCKVMODKAQBY-LJQANCHMSA-N 0 3 371.481 2.264 20 30 FEEDHN C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000281580833 551115903 /nfs/dbraw/zinc/11/59/03/551115903.db2.gz YFMGJYVFKLPFRZ-INIZCTEOSA-N 0 3 358.486 2.238 20 30 FEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000282261070 551202947 /nfs/dbraw/zinc/20/29/47/551202947.db2.gz LNLCVOYGZVHUHN-UHFFFAOYSA-N 0 3 356.474 2.008 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CCC(=O)Nc2ccc(C#N)cc2)O1 ZINC000282365762 551218191 /nfs/dbraw/zinc/21/81/91/551218191.db2.gz DOKSQKNTHITYQR-ZSGPHXLJSA-N 0 3 371.437 2.070 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000282504847 551238529 /nfs/dbraw/zinc/23/85/29/551238529.db2.gz ZEEIEAQHYSJAQL-GOSISDBHSA-N 0 3 354.498 2.271 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000282809420 551272962 /nfs/dbraw/zinc/27/29/62/551272962.db2.gz QTIDWNKLELRZQL-SFHVURJKSA-N 0 3 371.485 2.242 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c(F)c1 ZINC000283069513 551306901 /nfs/dbraw/zinc/30/69/01/551306901.db2.gz XIJOLTXWPURYRQ-CHWSQXEVSA-N 0 3 363.408 2.121 20 30 FEEDHN C=CCn1c(N)nnc1SC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000283534508 551383180 /nfs/dbraw/zinc/38/31/80/551383180.db2.gz MPVHZFFBGFSNGB-INIZCTEOSA-N 0 3 359.499 2.430 20 30 FEEDHN C[C@H](NC(=O)C(=O)N1CCCN(C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000283905912 551447337 /nfs/dbraw/zinc/44/73/37/551447337.db2.gz IGMVGIXISROSGC-INIZCTEOSA-N 0 3 368.481 2.212 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H](C)Oc2ccc(C)cc2)CC1 ZINC000284042508 551473636 /nfs/dbraw/zinc/47/36/36/551473636.db2.gz MDUCHUDQUNNQFH-KRWDZBQOSA-N 0 3 373.497 2.035 20 30 FEEDHN C[C@@H]1CCCC[C@H]1[N-]C(=S)C(C(=O)c1cnn(C)n1)[n+]1ccccc1 ZINC000284051365 551475187 /nfs/dbraw/zinc/47/51/87/551475187.db2.gz JGFZYUCBOYKEPP-ZIAGYGMSSA-O 0 3 358.491 2.210 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000285048286 551696626 /nfs/dbraw/zinc/69/66/26/551696626.db2.gz IILBXQDGJGJGGE-INIZCTEOSA-N 0 3 366.483 2.230 20 30 FEEDHN CC[C@](C)(C#N)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000285861496 551820310 /nfs/dbraw/zinc/82/03/10/551820310.db2.gz DKRGZRRTXAZCPJ-GHTZIAJQSA-N 0 3 369.513 2.382 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000286057072 551843851 /nfs/dbraw/zinc/84/38/51/551843851.db2.gz RIWXPJDKRUTFKT-OXQOHEQNSA-N 0 3 365.481 2.254 20 30 FEEDHN N#CCC[C@H](C#N)CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286072022 551845652 /nfs/dbraw/zinc/84/56/52/551845652.db2.gz RXWFGYUZKQCYPQ-NHCUHLMSSA-N 0 3 351.498 2.322 20 30 FEEDHN C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCN1C ZINC000286321929 551874240 /nfs/dbraw/zinc/87/42/40/551874240.db2.gz QAYSBBIERAPKKM-PVAVHDDUSA-N 0 3 358.461 2.465 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000286386364 551881870 /nfs/dbraw/zinc/88/18/70/551881870.db2.gz UUSZNNDTMSJKSS-QGZVFWFLSA-N 0 3 361.486 2.073 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(Cc2ccccc2F)C2CC2)CC1 ZINC000286414790 551884585 /nfs/dbraw/zinc/88/45/85/551884585.db2.gz FMDPZFGPRPYVST-UHFFFAOYSA-N 0 3 359.445 2.083 20 30 FEEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCCCCC#N ZINC000286723111 551918947 /nfs/dbraw/zinc/91/89/47/551918947.db2.gz LXNVYYGUNOEVAN-SFHVURJKSA-N 0 3 358.486 2.069 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccccc3)C2)CC1 ZINC000286842990 551932456 /nfs/dbraw/zinc/93/24/56/551932456.db2.gz YHIOMIZCBBJNQC-GOSISDBHSA-N 0 3 355.482 2.159 20 30 FEEDHN C[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CCN(C)CC1 ZINC000287994826 552072578 /nfs/dbraw/zinc/07/25/78/552072578.db2.gz VJJPXARAEPIUAV-PBHICJAKSA-N 0 3 356.445 2.290 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000288312187 552131160 /nfs/dbraw/zinc/13/11/60/552131160.db2.gz WYENTHFHBDLSLO-LRDDRELGSA-N 0 3 360.845 2.235 20 30 FEEDHN C[C@H]1CC[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000499916501 561561578 /nfs/dbraw/zinc/56/15/78/561561578.db2.gz RVSAGCLOZBCJGN-LPHOPBHVSA-N 0 3 370.497 2.001 20 30 FEEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1noc(C)c1C#N ZINC000500020555 561564119 /nfs/dbraw/zinc/56/41/19/561564119.db2.gz RTWDTFPVNBWHBN-QGZVFWFLSA-N 0 3 367.453 2.305 20 30 FEEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289965460 552406800 /nfs/dbraw/zinc/40/68/00/552406800.db2.gz WTHHKKCUOUTARR-UHFFFAOYSA-N 0 3 358.467 2.226 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290553281 552497564 /nfs/dbraw/zinc/49/75/64/552497564.db2.gz RLZZYJWAVKWIOI-CQSZACIVSA-N 0 3 368.412 2.273 20 30 FEEDHN N#Cc1ccc(CN2CCCN(C[C@H](O)COCC(F)(F)F)CC2)cc1 ZINC000292545630 552736931 /nfs/dbraw/zinc/73/69/31/552736931.db2.gz WWBPVPJILQGEKI-KRWDZBQOSA-N 0 3 371.403 2.006 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cccc(NC(=O)c2cccnc2)c1 ZINC000293864473 552863581 /nfs/dbraw/zinc/86/35/81/552863581.db2.gz BLUWAIVIUDUWCY-UHFFFAOYSA-N 0 3 350.422 2.019 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCSc1ccc(OC)c(OC)c1 ZINC000293923428 552868269 /nfs/dbraw/zinc/86/82/69/552868269.db2.gz HFBPRBVYFKPECT-UHFFFAOYSA-N 0 3 350.484 2.257 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000293967279 552871659 /nfs/dbraw/zinc/87/16/59/552871659.db2.gz LQBQUGMKTXYIJL-UHFFFAOYSA-N 0 3 370.449 2.114 20 30 FEEDHN C#CCN1CCC(C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)CC1 ZINC000294194167 552889127 /nfs/dbraw/zinc/88/91/27/552889127.db2.gz CKIZGQSZYAQCJP-UHFFFAOYSA-N 0 3 358.457 2.379 20 30 FEEDHN N#C[C@@H]1CN(C(=O)[C@H]2CCCN2C2CCOCC2)C[C@H]1c1ccccc1 ZINC000294289223 552894245 /nfs/dbraw/zinc/89/42/45/552894245.db2.gz QTRPYIUFAXEOIU-YZGWKJHDSA-N 0 3 353.466 2.396 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1sccc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000294933088 552945361 /nfs/dbraw/zinc/94/53/61/552945361.db2.gz XPVZQCDCPZERHJ-WFASDCNBSA-N 0 3 356.451 2.366 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCN(C2CC2)C1 ZINC000295260497 552977960 /nfs/dbraw/zinc/97/79/60/552977960.db2.gz FZBCHMLQSKTCJN-DOTOQJQBSA-N 0 3 370.472 2.466 20 30 FEEDHN CC(C)COC[C@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000501969823 561609009 /nfs/dbraw/zinc/60/90/09/561609009.db2.gz PGAHDBSSWKBYSX-LJQANCHMSA-N 0 3 359.470 2.242 20 30 FEEDHN C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)C)CC1 ZINC000295942798 553079243 /nfs/dbraw/zinc/07/92/43/553079243.db2.gz LPLLGJXVVKFFRF-UHFFFAOYSA-N 0 3 369.473 2.032 20 30 FEEDHN CCN1CCC(NC(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502505919 561620027 /nfs/dbraw/zinc/62/00/27/561620027.db2.gz HUGVKFRMLXGIDH-UHFFFAOYSA-N 0 3 352.482 2.248 20 30 FEEDHN CN(C)CCN1CCC(Nc2ncc(Br)cc2C#N)CC1 ZINC000296540275 553176796 /nfs/dbraw/zinc/17/67/96/553176796.db2.gz NVXRQJWCAMJKDE-UHFFFAOYSA-N 0 3 352.280 2.154 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H]2CCC[C@H]2CCO)cc1 ZINC000502855185 561627913 /nfs/dbraw/zinc/62/79/13/561627913.db2.gz KCQVGAIJODXJSQ-QFBILLFUSA-N 0 3 359.470 2.473 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)C(C)C ZINC000298521691 553435638 /nfs/dbraw/zinc/43/56/38/553435638.db2.gz VGNDCIHXRXTPFH-GOSISDBHSA-N 0 3 358.486 2.283 20 30 FEEDHN N#Cc1ccsc1N1CC[C@H](N[C@H](CC(N)=O)C2CCCCC2)C1=O ZINC000298720397 553463826 /nfs/dbraw/zinc/46/38/26/553463826.db2.gz BCUDJHHGEKGONW-LSDHHAIUSA-N 0 3 360.483 2.139 20 30 FEEDHN Cc1nnc2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cn12 ZINC000299544289 553578799 /nfs/dbraw/zinc/57/87/99/553578799.db2.gz JPBWSQLFROJTOR-UHFFFAOYSA-N 0 3 362.437 2.113 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302239298 553712947 /nfs/dbraw/zinc/71/29/47/553712947.db2.gz HKLYCJRVFPEGPT-AWEZNQCLSA-N 0 3 368.441 2.453 20 30 FEEDHN C[C@@H](CNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)N1CCC(C)CC1 ZINC000328621069 553797448 /nfs/dbraw/zinc/79/74/48/553797448.db2.gz XIYMOMRCEVCVDN-KSZLIROESA-N 0 3 364.534 2.402 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000328665199 553804647 /nfs/dbraw/zinc/80/46/47/553804647.db2.gz CELHGSNDLHTTEJ-BBWFWOEESA-N 0 3 359.470 2.496 20 30 FEEDHN CSC[C@H](C)C(=O)N1CCC(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000328709737 553810754 /nfs/dbraw/zinc/81/07/54/553810754.db2.gz MPAGZOHQEWWGFD-DZGCQCFKSA-N 0 3 353.532 2.417 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000328729149 553813473 /nfs/dbraw/zinc/81/34/73/553813473.db2.gz FHKYMBADVCEEJN-QGZVFWFLSA-N 0 3 365.522 2.295 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000505930583 561685447 /nfs/dbraw/zinc/68/54/47/561685447.db2.gz PSSBKGAMPCNLKM-SPYBWZPUSA-N 0 3 351.491 2.485 20 30 FEEDHN CC(=O)N1CCN(C(=O)NCCN2CCC[C@H](C)C2)CC12CCCCC2 ZINC000328990822 553860348 /nfs/dbraw/zinc/86/03/48/553860348.db2.gz VFOVPAQWSXURHA-KRWDZBQOSA-N 0 3 364.534 2.499 20 30 FEEDHN C=CCN1CCC(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)CC1 ZINC000329146204 553889130 /nfs/dbraw/zinc/88/91/30/553889130.db2.gz ODPIDLTVLGKGMR-UHFFFAOYSA-N 0 3 372.494 2.093 20 30 FEEDHN CCN1CCC[C@H](NC(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1 ZINC000329181172 553896719 /nfs/dbraw/zinc/89/67/19/553896719.db2.gz DQIASKOOQWBLHW-UONOGXRCSA-N 0 3 364.877 2.433 20 30 FEEDHN O=C(NCC1(N2CCCCC2)CCCCC1)N1CCCS(=O)(=O)CC1 ZINC000329192008 553899273 /nfs/dbraw/zinc/89/92/73/553899273.db2.gz QPQUTAAVCFVAPM-UHFFFAOYSA-N 0 3 371.547 2.210 20 30 FEEDHN N#CC1(F)CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000506545556 561701646 /nfs/dbraw/zinc/70/16/46/561701646.db2.gz CDXDIUTYLLPBNQ-UHFFFAOYSA-N 0 3 372.444 2.465 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000329209596 553902808 /nfs/dbraw/zinc/90/28/08/553902808.db2.gz YLSATDNQKUTKSD-LAQRGFTBSA-N 0 3 353.507 2.289 20 30 FEEDHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329271730 553914878 /nfs/dbraw/zinc/91/48/78/553914878.db2.gz JKUJEGLDTCGWMO-AQNXPRMDSA-N 0 3 373.497 2.445 20 30 FEEDHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)C1 ZINC000329307706 553922320 /nfs/dbraw/zinc/92/23/20/553922320.db2.gz ZFUGWUPQXXJCPG-HNSFDTNUSA-N 0 3 365.478 2.271 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)C1 ZINC000329386123 553935979 /nfs/dbraw/zinc/93/59/79/553935979.db2.gz POCSCLPNORYYJY-OKZBNKHCSA-N 0 3 364.534 2.354 20 30 FEEDHN CN1C[C@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCC1=O ZINC000329460891 553951222 /nfs/dbraw/zinc/95/12/22/553951222.db2.gz SEFBGFOUBSVERA-MSOLQXFVSA-N 0 3 358.486 2.166 20 30 FEEDHN CN(C(=O)NCCN1CCC2(CCCCC2)CC1)[C@@H]1CCN(C)C1=O ZINC000329527618 553962048 /nfs/dbraw/zinc/96/20/48/553962048.db2.gz UHCJESZISKOICY-MRXNPFEDSA-N 0 3 350.507 2.109 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)NCC[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000329664195 553984573 /nfs/dbraw/zinc/98/45/73/553984573.db2.gz QFQVBXHMZQRGIR-SOLBZPMBSA-N 0 3 353.507 2.148 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)Cc2cc(F)cc3c2OCOC3)CC1 ZINC000329673558 553986444 /nfs/dbraw/zinc/98/64/44/553986444.db2.gz VABLCSILCLLJNJ-KRWDZBQOSA-N 0 3 366.433 2.284 20 30 FEEDHN C[C@@H]1CN(C(=O)NCC2(N(C)C)CCCCCC2)C[C@H](C)S1(=O)=O ZINC000329688035 553989385 /nfs/dbraw/zinc/98/93/85/553989385.db2.gz FZDCTDZBKPDXFC-GASCZTMLSA-N 0 3 359.536 2.062 20 30 FEEDHN Cc1cnccc1CCNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000329786984 554006131 /nfs/dbraw/zinc/00/61/31/554006131.db2.gz QWZYQBPAFFJJEO-UHFFFAOYSA-N 0 3 373.545 2.196 20 30 FEEDHN CC(C)N1C[C@@H](NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1=O ZINC000329809562 554009827 /nfs/dbraw/zinc/00/98/27/554009827.db2.gz QCJQVTDDSXYVRU-NJAFHUGGSA-N 0 3 358.486 2.162 20 30 FEEDHN CCN1C(=O)CC[C@H](C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@@H]1c1cnn(C)c1 ZINC000329885220 554024674 /nfs/dbraw/zinc/02/46/74/554024674.db2.gz UHBUWNJHKAAYMT-PZFZOXMESA-N 0 3 373.501 2.301 20 30 FEEDHN Cn1nc(CC(=O)NC[C@H]2CCCCN2C2CC2)c2ccccc2c1=O ZINC000329895540 554026041 /nfs/dbraw/zinc/02/60/41/554026041.db2.gz KMNZBPPKLNWMJS-OAHLLOKOSA-N 0 3 354.454 2.449 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)Nc3cnc4c(c3)CCCC4)CC2)CC1 ZINC000329936416 554034771 /nfs/dbraw/zinc/03/47/71/554034771.db2.gz DCFCEVJAWCGRDA-UHFFFAOYSA-N 0 3 371.529 2.465 20 30 FEEDHN CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000329936993 554035454 /nfs/dbraw/zinc/03/54/54/554035454.db2.gz DLFSATZDWQDNAD-DNVCBOLYSA-N 0 3 364.534 2.149 20 30 FEEDHN CCN1C(=O)CC[C@H](C(=O)N[C@H](C)C2=CCN(C)CC2)[C@H]1c1cnn(C)c1 ZINC000329965014 554040329 /nfs/dbraw/zinc/04/03/29/554040329.db2.gz UERSEVSTDSSAJZ-DKSSEZFCSA-N 0 3 373.501 2.327 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3CCCCC3)C2)C12CCOCC2 ZINC000329975770 554042411 /nfs/dbraw/zinc/04/24/11/554042411.db2.gz DUJVXUWEVXHMTL-OKZBNKHCSA-N 0 3 365.518 2.435 20 30 FEEDHN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000329992551 554045464 /nfs/dbraw/zinc/04/54/64/554045464.db2.gz XOZYQEQXUHRGAT-ZYSHUDEJSA-N 0 3 358.486 2.021 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330091441 554062805 /nfs/dbraw/zinc/06/28/05/554062805.db2.gz PXSFJNHEKQURIM-RHSMWYFYSA-N 0 3 372.517 2.191 20 30 FEEDHN Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330126133 554069469 /nfs/dbraw/zinc/06/94/69/554069469.db2.gz MFBASHDPLPZPJH-OALUTQOASA-N 0 3 370.497 2.135 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)C(C)S(=O)(=O)C2CCOCC2)C12CCC2 ZINC000330148399 554073903 /nfs/dbraw/zinc/07/39/03/554073903.db2.gz JJYCYUUJASTENM-AEGPPILISA-N 0 3 359.488 2.273 20 30 FEEDHN CC[C@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)c1c(C)nn(C)c1C ZINC000330163524 554076810 /nfs/dbraw/zinc/07/68/10/554076810.db2.gz VERROAYQEOCNAS-HIFRSBDPSA-N 0 3 371.503 2.427 20 30 FEEDHN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000330206341 554085145 /nfs/dbraw/zinc/08/51/45/554085145.db2.gz DEMNUKRZTGSRBK-BQFCYCMXSA-N 0 3 353.507 2.147 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1=O ZINC000330232944 554089820 /nfs/dbraw/zinc/08/98/20/554089820.db2.gz FSGJTJHOMTUZRZ-QZTJIDSGSA-N 0 3 358.486 2.336 20 30 FEEDHN CC[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)C1CCOCC1 ZINC000330271560 554097375 /nfs/dbraw/zinc/09/73/75/554097375.db2.gz WCLVECOAPFNDOM-QAPCUYQASA-N 0 3 353.507 2.291 20 30 FEEDHN Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cnn1C ZINC000330327738 554105913 /nfs/dbraw/zinc/10/59/13/554105913.db2.gz LDNRHABMANBZBT-KJWYOANISA-N 0 3 363.506 2.183 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000330409227 554117890 /nfs/dbraw/zinc/11/78/90/554117890.db2.gz JYTRTDQFFOZWSC-FUHWJXTLSA-N 0 3 364.515 2.109 20 30 FEEDHN CC(C)Cn1ncc(NC(=O)N2CCO[C@@H](CN(C)C)C2)c1C(F)F ZINC000330644202 554150279 /nfs/dbraw/zinc/15/02/79/554150279.db2.gz HJOCCAAORYKGGV-LBPRGKRZSA-N 0 3 359.421 2.285 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000330663398 554153619 /nfs/dbraw/zinc/15/36/19/554153619.db2.gz DZQJTAIWIGGMNG-ZDUSSCGKSA-N 0 3 357.476 2.017 20 30 FEEDHN CCC1(CC)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[S@@]1=O ZINC000330986934 554197359 /nfs/dbraw/zinc/19/73/59/554197359.db2.gz GHMIAKDUSDZDED-NSYGIPOTSA-N 0 3 357.479 2.390 20 30 FEEDHN CS[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1N(C)C ZINC000331410729 554259635 /nfs/dbraw/zinc/25/96/35/554259635.db2.gz GGKLBZLDUNSFDK-KZNAEPCWSA-N 0 3 358.511 2.031 20 30 FEEDHN CO[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1OC ZINC000331531001 554280939 /nfs/dbraw/zinc/28/09/39/554280939.db2.gz HBJHBJKBIVJXQC-GJZGRUSLSA-N 0 3 363.483 2.173 20 30 FEEDHN C=CCN1CCC(NC(=O)c2c(C)nn(Cc3ccccc3)c2N)CC1 ZINC000510297343 561830941 /nfs/dbraw/zinc/83/09/41/561830941.db2.gz KDIHVDPMFLDANV-UHFFFAOYSA-N 0 3 353.470 2.202 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(O)cc1 ZINC000510388498 561833083 /nfs/dbraw/zinc/83/30/83/561833083.db2.gz JFTXDTRJSDEMLK-UHFFFAOYSA-N 0 3 353.422 2.233 20 30 FEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@H](Cc2ccccn2)C1=O)C(C)C ZINC000349235420 554722465 /nfs/dbraw/zinc/72/24/65/554722465.db2.gz DXQFDRDWEYVWCM-MSOLQXFVSA-N 0 3 356.470 2.243 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000360140548 554864084 /nfs/dbraw/zinc/86/40/84/554864084.db2.gz KVFWFUCPBMZONL-QGZVFWFLSA-N 0 3 354.454 2.282 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCN3CCC(C)CC3)C2)n1 ZINC000360848903 554892578 /nfs/dbraw/zinc/89/25/78/554892578.db2.gz HYEFQPQNYBWJSX-LJQANCHMSA-N 0 3 369.513 2.326 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000361795641 554935116 /nfs/dbraw/zinc/93/51/16/554935116.db2.gz FCRWRYKJDHUPEU-UHFFFAOYSA-N 0 3 357.458 2.461 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@]2(O)CCCc3ccc(OC)cc32)CC1 ZINC000362388668 554968645 /nfs/dbraw/zinc/96/86/45/554968645.db2.gz HCSIHPDYWUPMIN-NRFANRHFSA-N 0 3 373.497 2.169 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000362688145 554981126 /nfs/dbraw/zinc/98/11/26/554981126.db2.gz SKARTFMBIZTTSA-DNVCBOLYSA-N 0 3 355.486 2.356 20 30 FEEDHN C#CCOc1ccc(F)cc1NC(=O)N1CCCN(CCCOC)CC1 ZINC000362887809 554996302 /nfs/dbraw/zinc/99/63/02/554996302.db2.gz CZCLJKCRCZKSRW-UHFFFAOYSA-N 0 3 363.433 2.414 20 30 FEEDHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1 ZINC000511743370 561879442 /nfs/dbraw/zinc/87/94/42/561879442.db2.gz MZIPWABGBKRMJW-WBVHZDCISA-N 0 3 366.469 2.128 20 30 FEEDHN CCN1CCc2c(cccc2-n2nnc(C(=O)N(C)C[C@H](C)C#N)c2C)C1 ZINC000363397378 555095335 /nfs/dbraw/zinc/09/53/35/555095335.db2.gz NFSOFTPPCLSQLL-CQSZACIVSA-N 0 3 366.469 2.185 20 30 FEEDHN CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000363425716 555102588 /nfs/dbraw/zinc/10/25/88/555102588.db2.gz GIEWGFVWAYFDBU-OAQYLSRUSA-N 0 3 362.477 2.381 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(C)nc1-c1cnn(C)c1)C(C)C ZINC000363739145 555176195 /nfs/dbraw/zinc/17/61/95/555176195.db2.gz ODKJYEVYWXMNMZ-SFHVURJKSA-N 0 3 370.501 2.249 20 30 FEEDHN C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 ZINC000363785652 555186021 /nfs/dbraw/zinc/18/60/21/555186021.db2.gz ZMCYNQRELUSNMG-SCTDSRPQSA-N 0 3 361.486 2.314 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCCN(c3ccc(C)cn3)C2)CC1 ZINC000363816380 555192311 /nfs/dbraw/zinc/19/23/11/555192311.db2.gz HKYPTDUWZOZGSG-GOSISDBHSA-N 0 3 354.498 2.210 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H]1CSC[C@@H]1C ZINC000512221105 561896468 /nfs/dbraw/zinc/89/64/68/561896468.db2.gz WGZUZWQZHLTZDR-BLLLJJGKSA-N 0 3 364.515 2.293 20 30 FEEDHN C=CCN(C(=O)NCc1nc(C)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364282358 555283970 /nfs/dbraw/zinc/28/39/70/555283970.db2.gz WLPITSUXROHUHM-QGZVFWFLSA-N 0 3 355.442 2.350 20 30 FEEDHN CN1CC[C@@H](CNC(=O)COc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000364569208 555340738 /nfs/dbraw/zinc/34/07/38/555340738.db2.gz LBAJWSJYGZYXAX-PXNSSMCTSA-N 0 3 350.422 2.141 20 30 FEEDHN N#Cc1ncn(CCNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1 ZINC000512891070 561919155 /nfs/dbraw/zinc/91/91/55/561919155.db2.gz NVUKCROQUGYSLI-UHFFFAOYSA-N 0 3 361.331 2.144 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(-n3ccnc3)nc2)cc1 ZINC000365304454 555537077 /nfs/dbraw/zinc/53/70/77/555537077.db2.gz IACAKWWKHXIBQR-SFHVURJKSA-N 0 3 356.389 2.138 20 30 FEEDHN N#Cc1c(F)ccc(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Cl ZINC000365482055 555587457 /nfs/dbraw/zinc/58/74/57/555587457.db2.gz UHGHVBWJUABDGW-WBMJQRKESA-N 0 3 372.849 2.177 20 30 FEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCCC[C@@H]2N2CCOCC2)c(C#N)c1C ZINC000365597955 555619200 /nfs/dbraw/zinc/61/92/00/555619200.db2.gz JJIBKGWLOXDMLY-WBAXXEDZSA-N 0 3 374.485 2.328 20 30 FEEDHN C=CCNC(=O)CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000513378027 561936013 /nfs/dbraw/zinc/93/60/13/561936013.db2.gz NQHIGJPTXLNBSX-SFHVURJKSA-N 0 3 360.502 2.089 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)CC1 ZINC000367618345 556098276 /nfs/dbraw/zinc/09/82/76/556098276.db2.gz OXFQLQRZPBLMFO-SFHVURJKSA-N 0 3 374.529 2.069 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000514894128 561985276 /nfs/dbraw/zinc/98/52/76/561985276.db2.gz UWFYWJVLWRIOLT-LSDHHAIUSA-N 0 3 362.522 2.301 20 30 FEEDHN C=CCNc1ncc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)s1 ZINC000622143599 556231124 /nfs/dbraw/zinc/23/11/24/556231124.db2.gz BRVQBTFPDINMOH-MRXNPFEDSA-N 0 3 372.494 2.238 20 30 FEEDHN CN1CC[C@H](NCC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 ZINC000368230979 556254212 /nfs/dbraw/zinc/25/42/12/556254212.db2.gz HJVTXXNNWLUYKF-PZJWPPBQSA-N 0 3 366.440 2.349 20 30 FEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000515694924 562019675 /nfs/dbraw/zinc/01/96/75/562019675.db2.gz OSVYAWKEPTWLOD-IBGZPJMESA-N 0 3 370.497 2.143 20 30 FEEDHN COc1ccc(CNC[C@H]2CN3CCC[C@@H]3CO2)cc1OCCCC#N ZINC000369037119 556484650 /nfs/dbraw/zinc/48/46/50/556484650.db2.gz VEFFQLLLJRLZJY-MSOLQXFVSA-N 0 3 359.470 2.331 20 30 FEEDHN N#C[C@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCN1C1CC1 ZINC000369219256 556539141 /nfs/dbraw/zinc/53/91/41/556539141.db2.gz NHSPHUHZUXTWPY-DLBZAZTESA-N 0 3 373.526 2.267 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000369757251 556686465 /nfs/dbraw/zinc/68/64/65/556686465.db2.gz KPONFHPSDVNWRN-QFIPXVFZSA-N 0 3 367.493 2.285 20 30 FEEDHN Cc1csc(NC(=O)NCC(=O)NCCN2CCCCCC2)c1C#N ZINC000516660282 562053331 /nfs/dbraw/zinc/05/33/31/562053331.db2.gz UESQNILMXWJJMU-UHFFFAOYSA-N 0 3 363.487 2.042 20 30 FEEDHN CCN1CCc2c(cccc2-n2nnc(C(=O)N(C)[C@@H](C)CC#N)c2C)C1 ZINC000371585149 557229819 /nfs/dbraw/zinc/22/98/19/557229819.db2.gz GUIWXWUSVLCOPL-AWEZNQCLSA-N 0 3 366.469 2.328 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](N3CCCCC3)C2)ccc1F ZINC000371872885 557316264 /nfs/dbraw/zinc/31/62/64/557316264.db2.gz OXSURGZGHDCOSN-INIZCTEOSA-N 0 3 358.417 2.113 20 30 FEEDHN C#CCCCCNC(=O)c1nnn(-c2cccc3c2CCN(CC)C3)c1C ZINC000371926687 557330424 /nfs/dbraw/zinc/33/04/24/557330424.db2.gz BBVGWVSKPHGZBA-UHFFFAOYSA-N 0 3 365.481 2.487 20 30 FEEDHN CN(C)C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)c2ccccc2O1 ZINC000372001332 557353507 /nfs/dbraw/zinc/35/35/07/557353507.db2.gz LWPWDHQTXDWJGU-SFHVURJKSA-N 0 3 364.449 2.004 20 30 FEEDHN Cc1ncc(S(=O)(=O)N[C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1C#N ZINC000518871991 562120044 /nfs/dbraw/zinc/12/00/44/562120044.db2.gz BVEBSUIICGFMTK-HUUCEWRRSA-N 0 3 362.499 2.193 20 30 FEEDHN CC(C)NC(=O)CN1CCCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000372392242 557459371 /nfs/dbraw/zinc/45/93/71/557459371.db2.gz UEEFAPVTDMGHNZ-UHFFFAOYSA-N 0 3 371.529 2.069 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN2CCC(CC(=O)N3CCOCC3)CC2)cc1 ZINC000372413573 557464587 /nfs/dbraw/zinc/46/45/87/557464587.db2.gz NZOCKPDYVVZOEL-QGZVFWFLSA-N 0 3 371.481 2.438 20 30 FEEDHN CN(C)C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)c2ccccc2O1 ZINC000372788075 557562521 /nfs/dbraw/zinc/56/25/21/557562521.db2.gz ZVSUELXWFAXIOU-GOSISDBHSA-N 0 3 365.433 2.487 20 30 FEEDHN C[C@@H]1CN(CCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CCCO1 ZINC000372894315 557583802 /nfs/dbraw/zinc/58/38/02/557583802.db2.gz ZCDPBVVPUTZLGX-DYESRHJHSA-N 0 3 355.482 2.302 20 30 FEEDHN C=CCN1CC(=O)N(CC2CCN(Cc3ccc(OC)cc3)CC2)C1=O ZINC000372914781 557587676 /nfs/dbraw/zinc/58/76/76/557587676.db2.gz BFSGBTRDEVYORM-UHFFFAOYSA-N 0 3 357.454 2.357 20 30 FEEDHN CN1C(=O)N[C@]2(CCC[C@H]2CNCc2ccc(F)c(C#N)c2Cl)C1=O ZINC000372993772 557605765 /nfs/dbraw/zinc/60/57/65/557605765.db2.gz WGILZOKUOGEXHF-GTNSWQLSSA-N 0 3 364.808 2.161 20 30 FEEDHN Cc1cc(S(=O)(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)ccc1C#N ZINC000373046608 557616194 /nfs/dbraw/zinc/61/61/94/557616194.db2.gz OJUGEBHMWSXHAK-MRXNPFEDSA-N 0 3 371.462 2.385 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000373200080 557648444 /nfs/dbraw/zinc/64/84/44/557648444.db2.gz CTRCVCYJYZXWQL-QUCCMNQESA-N 0 3 356.397 2.031 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000520496542 562157578 /nfs/dbraw/zinc/15/75/78/562157578.db2.gz RULUWSQMWLVWKS-QGZVFWFLSA-N 0 3 368.485 2.093 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)CC1 ZINC000373948177 557793802 /nfs/dbraw/zinc/79/38/02/557793802.db2.gz AGUAEWNYBGDIAE-LPHOPBHVSA-N 0 3 370.497 2.126 20 30 FEEDHN C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000374307353 557862853 /nfs/dbraw/zinc/86/28/53/557862853.db2.gz CQTQUOIRNFPUGX-DZGCQCFKSA-N 0 3 367.419 2.434 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@@H]21 ZINC000375053974 557970730 /nfs/dbraw/zinc/97/07/30/557970730.db2.gz JHMIEICGGFVPIB-HOCLYGCPSA-N 0 3 372.494 2.183 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000521584832 562179320 /nfs/dbraw/zinc/17/93/20/562179320.db2.gz OHEYFUSJZUFDTH-UHFFFAOYSA-N 0 3 361.446 2.346 20 30 FEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C2CCOCC2)C[C@H]1C ZINC000376092311 558125993 /nfs/dbraw/zinc/12/59/93/558125993.db2.gz FPIVVYIEUDGQOH-HZPDHXFCSA-N 0 3 356.470 2.070 20 30 FEEDHN C=CCS(=O)(=O)CCNC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000376360248 558162886 /nfs/dbraw/zinc/16/28/86/558162886.db2.gz NVJSAOLKYJLMQT-UHFFFAOYSA-N 0 3 370.902 2.135 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000376614204 558198146 /nfs/dbraw/zinc/19/81/46/558198146.db2.gz PXDRFPDDDAYOIG-GOSISDBHSA-N 0 3 365.481 2.906 20 30 FEEDHN CN1CC[C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000376730323 558214210 /nfs/dbraw/zinc/21/42/10/558214210.db2.gz WXKDPNNLUTXEFQ-HBMCJLEFSA-N 0 3 373.460 2.445 20 30 FEEDHN Cn1cc(CN[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1C#N ZINC000377023976 558253059 /nfs/dbraw/zinc/25/30/59/558253059.db2.gz DSURDOWVRACZEP-INIZCTEOSA-N 0 3 350.401 2.399 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000377211340 558289697 /nfs/dbraw/zinc/28/96/97/558289697.db2.gz CSRXJRUBEBMTBU-QHAWAJNXSA-N 0 3 369.509 2.252 20 30 FEEDHN C=CCOc1ccc(CNC(=O)N2CCC[C@@H]2CN2CCC[C@H]2CO)cc1 ZINC000377226371 558293518 /nfs/dbraw/zinc/29/35/18/558293518.db2.gz VYSLHEQDENWSIH-MOPGFXCFSA-N 0 3 373.497 2.382 20 30 FEEDHN CN(C1CCN(c2ccncc2)CC1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000377382531 558330352 /nfs/dbraw/zinc/33/03/52/558330352.db2.gz LPPCIIPBXSJOTQ-UHFFFAOYSA-N 0 3 370.478 2.384 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000522098533 562191380 /nfs/dbraw/zinc/19/13/80/562191380.db2.gz OJGUONTZRGRBNT-RTBURBONSA-N 0 3 358.482 2.242 20 30 FEEDHN CC(C)(C#N)CCS(=O)(=O)NCC1CCN(c2ccncc2)CC1 ZINC000377838815 558432591 /nfs/dbraw/zinc/43/25/91/558432591.db2.gz CGTWRHGEPRDIJZ-UHFFFAOYSA-N 0 3 350.488 2.157 20 30 FEEDHN CN(C)C[C@@H]1CN(S(=O)(=O)CCC(C)(C)C#N)c2ccccc2O1 ZINC000377889978 558442615 /nfs/dbraw/zinc/44/26/15/558442615.db2.gz RLHFVBOFDXVBLN-CQSZACIVSA-N 0 3 351.472 2.085 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@]2(COC)OCCc3ccccc32)CC1 ZINC000378079425 558475929 /nfs/dbraw/zinc/47/59/29/558475929.db2.gz ZPAZXNSINFSXJG-NRFANRHFSA-N 0 3 373.497 2.051 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cn1 ZINC000523111528 562208473 /nfs/dbraw/zinc/20/84/73/562208473.db2.gz IDKHMSBXSTXOCL-UHFFFAOYSA-N 0 3 370.478 2.418 20 30 FEEDHN CCN1CCN(CCC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000378356966 558537840 /nfs/dbraw/zinc/53/78/40/558537840.db2.gz QGIIQFCGTHAJQQ-UHFFFAOYSA-N 0 3 352.482 2.202 20 30 FEEDHN C[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN1C1CCN(C)CC1 ZINC000378366885 558540659 /nfs/dbraw/zinc/54/06/59/558540659.db2.gz PSPVDHJCIMCGDH-OZSKJFCKSA-N 0 3 352.482 2.198 20 30 FEEDHN CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000409841665 558722186 /nfs/dbraw/zinc/72/21/86/558722186.db2.gz XGQYPUOUWUMMJB-SOLBZPMBSA-N 0 3 366.469 2.395 20 30 FEEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)N(CC)C[C@H](C)C#N ZINC000410154505 558742580 /nfs/dbraw/zinc/74/25/80/558742580.db2.gz KFRJCQRNNLGFLK-MRXNPFEDSA-N 0 3 366.531 2.296 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNc2c(C#N)nnc3ccccc32)c1 ZINC000524841159 562235930 /nfs/dbraw/zinc/23/59/30/562235930.db2.gz AZXCTEMLGJLHRR-UHFFFAOYSA-N 0 3 374.448 2.405 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F)CC1 ZINC000411229117 558856771 /nfs/dbraw/zinc/85/67/71/558856771.db2.gz PVLQWBBSWSPHKV-JSGCOSHPSA-N 0 3 363.424 2.236 20 30 FEEDHN C=CCN(CCOC[C@H]1CCCO1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000525487017 562249253 /nfs/dbraw/zinc/24/92/53/562249253.db2.gz QZYCKIYTPUZHTQ-QFBILLFUSA-N 0 3 357.458 2.407 20 30 FEEDHN CCCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(N)=O ZINC000411754688 558956968 /nfs/dbraw/zinc/95/69/68/558956968.db2.gz FMZQWSQSKAQRBZ-LBPRGKRZSA-N 0 3 362.499 2.270 20 30 FEEDHN CC(=O)N1CCN(C(=O)C2CCN(CCC3(C#N)CCCCC3)CC2)CC1 ZINC000411793347 558964048 /nfs/dbraw/zinc/96/40/48/558964048.db2.gz IOMURPWHNCGDDN-UHFFFAOYSA-N 0 3 374.529 2.253 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000412177251 559018375 /nfs/dbraw/zinc/01/83/75/559018375.db2.gz RFFNXMWHSFNYBU-LSTHTHJFSA-N 0 3 354.498 2.052 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000412679777 559050267 /nfs/dbraw/zinc/05/02/67/559050267.db2.gz XPJALRIVJYLXKO-UYAOXDASSA-N 0 3 364.449 2.220 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cnccc1C#N ZINC000413994873 559145673 /nfs/dbraw/zinc/14/56/73/559145673.db2.gz SMGCXMJPGCETQL-UYAOXDASSA-N 0 3 364.449 2.220 20 30 FEEDHN CN(C)C(=O)[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000414499182 559168814 /nfs/dbraw/zinc/16/88/14/559168814.db2.gz OBQDERYKGZSWQY-KRWDZBQOSA-N 0 3 351.454 2.374 20 30 FEEDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000415117906 559206167 /nfs/dbraw/zinc/20/61/67/559206167.db2.gz CPEDYBSVDYCZDZ-BXKDBHETSA-N 0 3 354.357 2.394 20 30 FEEDHN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CCCNCC3)c2)cc1 ZINC000415312216 559223290 /nfs/dbraw/zinc/22/32/90/559223290.db2.gz CIIBCNZJCKDTQO-UHFFFAOYSA-N 0 3 364.405 2.111 20 30 FEEDHN N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)c1 ZINC000415432027 559235955 /nfs/dbraw/zinc/23/59/55/559235955.db2.gz VJKJVPFQPJWOLN-SFHVURJKSA-N 0 3 372.469 2.331 20 30 FEEDHN CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](CN)C2CCCCC2)cc1 ZINC000415435208 559236607 /nfs/dbraw/zinc/23/66/07/559236607.db2.gz YWNQQODPMIFGKS-QGZVFWFLSA-N 0 3 356.470 2.450 20 30 FEEDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416469273 559315608 /nfs/dbraw/zinc/31/56/08/559315608.db2.gz DAMATLJEOBQXSZ-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@](CC)(C(=O)OC)c2ccccc2)CC1 ZINC000416682611 559329595 /nfs/dbraw/zinc/32/95/95/559329595.db2.gz JSKWHRCBBNTENE-OAQYLSRUSA-N 0 3 373.497 2.457 20 30 FEEDHN CC[C@](CN[C@@H](C)C(=O)NC1(C#N)CCC1)(C(=O)OC)c1ccccc1 ZINC000419365870 559439671 /nfs/dbraw/zinc/43/96/71/559439671.db2.gz YNOBBHGGZVHIKV-MGPUTAFESA-N 0 3 357.454 2.048 20 30 FEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000419603263 559449395 /nfs/dbraw/zinc/44/93/95/559449395.db2.gz BAZYHEFALVMHJC-HKUYNNGSSA-N 0 3 356.470 2.082 20 30 FEEDHN N#CC1(CNC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)CCC1 ZINC000419652548 559451794 /nfs/dbraw/zinc/45/17/94/559451794.db2.gz XIMRJVOUVOYEJD-UHFFFAOYSA-N 0 3 356.470 2.007 20 30 FEEDHN CN(C[C@H]1CCCN1C)C(=O)COc1cccc(Br)c1C#N ZINC000421710999 559550469 /nfs/dbraw/zinc/55/04/69/559550469.db2.gz NLXWYIWBXWKRFB-GFCCVEGCSA-N 0 3 366.259 2.252 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422105608 559565567 /nfs/dbraw/zinc/56/55/67/559565567.db2.gz QEWOKKRRHVFXRO-CYBMUJFWSA-N 0 3 369.918 2.469 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000422422010 559587143 /nfs/dbraw/zinc/58/71/43/559587143.db2.gz FCUTYASMZGRBMR-LPHOPBHVSA-N 0 3 355.482 2.057 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000422533401 559593383 /nfs/dbraw/zinc/59/33/83/559593383.db2.gz XCIKRXXOLZZZRS-MOPGFXCFSA-N 0 3 357.498 2.090 20 30 FEEDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)cc1 ZINC000424113894 559655158 /nfs/dbraw/zinc/65/51/58/559655158.db2.gz OXDSWPVQDMCHHS-FUHWJXTLSA-N 0 3 371.485 2.376 20 30 FEEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)cccc1C(=O)N1CCSCC1 ZINC000424111406 559655189 /nfs/dbraw/zinc/65/51/89/559655189.db2.gz GJORTJDWJDURII-OAHLLOKOSA-N 0 3 360.483 2.144 20 30 FEEDHN COC(=O)c1ccc(NC(=O)[C@@H](N)CCCC#N)c(OCC(F)(F)F)c1 ZINC000424112372 559655225 /nfs/dbraw/zinc/65/52/25/559655225.db2.gz JJZSIECRCGNGJH-NSHDSACASA-N 0 3 373.331 2.374 20 30 FEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(Br)c1 ZINC000424124617 559655533 /nfs/dbraw/zinc/65/55/33/559655533.db2.gz MMWIENWHXCGVLG-FZMZJTMJSA-N 0 3 354.248 2.354 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000425232918 559692585 /nfs/dbraw/zinc/69/25/85/559692585.db2.gz WKOHCJIMJKFCMC-UHFFFAOYSA-N 0 3 367.409 2.370 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000425368089 559698363 /nfs/dbraw/zinc/69/83/63/559698363.db2.gz VQWULCVHXJUANA-INIZCTEOSA-N 0 3 350.470 2.293 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000425652558 559713229 /nfs/dbraw/zinc/71/32/29/559713229.db2.gz NSDWQFVZVYYFAV-MRXNPFEDSA-N 0 3 357.502 2.287 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425884969 559723954 /nfs/dbraw/zinc/72/39/54/559723954.db2.gz LBYKWPAEYYSXRA-VQIMIIECSA-N 0 3 370.497 2.458 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)C(C)C ZINC000426026665 559727911 /nfs/dbraw/zinc/72/79/11/559727911.db2.gz BPTQTLKFYURONX-FGTMMUONSA-N 0 3 362.518 2.138 20 30 FEEDHN CN(Cc1ccccc1)[C@@H](CNS(=O)(=O)c1cccnc1C#N)C1CC1 ZINC000428426893 559775292 /nfs/dbraw/zinc/77/52/92/559775292.db2.gz YXYMPCXFTMNLSI-SFHVURJKSA-N 0 3 370.478 2.142 20 30 FEEDHN COc1cc(C#N)ccc1OCCN[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000431953936 559849242 /nfs/dbraw/zinc/84/92/42/559849242.db2.gz OLJPYZOGGJKHRQ-JXFKEZNVSA-N 0 3 370.453 2.416 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NCCc1nnc2n1CCCCC2 ZINC000433219077 559874075 /nfs/dbraw/zinc/87/40/75/559874075.db2.gz KXEVSYAXYBPBTB-QGZVFWFLSA-N 0 3 351.454 2.436 20 30 FEEDHN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433356887 559878325 /nfs/dbraw/zinc/87/83/25/559878325.db2.gz VNZQJDAPKSXNDN-SJORKVTESA-N 0 3 359.495 2.433 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000440058335 560004017 /nfs/dbraw/zinc/00/40/17/560004017.db2.gz CGBCTRIKYWLSJQ-ZIAGYGMSSA-N 0 3 353.463 2.237 20 30 FEEDHN COC(=O)CCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000527458032 562288528 /nfs/dbraw/zinc/28/85/28/562288528.db2.gz NJSVVCGWBYNBSG-SFHVURJKSA-N 0 3 353.422 2.432 20 30 FEEDHN COc1cc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)ccc1C#N ZINC000443077108 560069645 /nfs/dbraw/zinc/06/96/45/560069645.db2.gz ZFGXYOFTXYQLMC-ROUUACIJSA-N 0 3 369.444 2.401 20 30 FEEDHN Cc1cc(CN[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)ccc1C#N ZINC000443994552 560098890 /nfs/dbraw/zinc/09/88/90/560098890.db2.gz LGNLRATVQUNFRN-NRFANRHFSA-N 0 3 363.461 2.426 20 30 FEEDHN C=CCCCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000448373044 560185920 /nfs/dbraw/zinc/18/59/20/560185920.db2.gz FPZHFSHHOVXVGV-UHFFFAOYSA-N 0 3 358.486 2.238 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000448857578 560203166 /nfs/dbraw/zinc/20/31/66/560203166.db2.gz GHKJLGPBBBHZGN-OAHLLOKOSA-N 0 3 365.437 2.144 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000448916469 560206679 /nfs/dbraw/zinc/20/66/79/560206679.db2.gz XZOAGMCUONDJMU-UHFFFAOYSA-N 0 3 365.481 2.085 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3cc(C#N)cs3)C2)CC1 ZINC000449508296 560232136 /nfs/dbraw/zinc/23/21/36/560232136.db2.gz UYFJMFSAUPIJOW-QGZVFWFLSA-N 0 3 360.527 2.386 20 30 FEEDHN COc1cnccc1N1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450498945 560264170 /nfs/dbraw/zinc/26/41/70/560264170.db2.gz HTPRFLHUNDIWLG-UHFFFAOYSA-N 0 3 374.242 2.446 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450704214 560270846 /nfs/dbraw/zinc/27/08/46/560270846.db2.gz UUHXNQPFROYKLX-CQSZACIVSA-N 0 3 374.872 2.117 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)c2cc(C#N)[nH]c2C)[C@@H]1c1cnn(C)c1 ZINC000450880148 560276505 /nfs/dbraw/zinc/27/65/05/560276505.db2.gz KDAMVZYFCDYQBI-HNAYVOBHSA-N 0 3 368.485 2.474 20 30 FEEDHN CO[C@H]1C[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000451512401 560311259 /nfs/dbraw/zinc/31/12/59/560311259.db2.gz XLJQSONYMDTKTB-HOTGVXAUSA-N 0 3 353.426 2.086 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3cccc(F)c3C#N)C2)CC1 ZINC000451529957 560312437 /nfs/dbraw/zinc/31/24/37/560312437.db2.gz OGEKYJMVIHMPKL-SFHVURJKSA-N 0 3 372.488 2.464 20 30 FEEDHN CC(C)[C@H](CO)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000451603888 560317078 /nfs/dbraw/zinc/31/70/78/560317078.db2.gz XURNTQZNAYPJGD-ROUUACIJSA-N 0 3 352.500 2.211 20 30 FEEDHN CC(C)OCCOC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000451951092 560340265 /nfs/dbraw/zinc/34/02/65/560340265.db2.gz CBXGQIXOMSLUQR-SFHVURJKSA-N 0 3 362.470 2.204 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2scnc2C(C)C)CC1 ZINC000453642944 560392793 /nfs/dbraw/zinc/39/27/93/560392793.db2.gz PAYGZCCHMAKPOO-UHFFFAOYSA-N 0 3 350.488 2.362 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCN1C ZINC000453666051 560394897 /nfs/dbraw/zinc/39/48/97/560394897.db2.gz WBQBKQTZPVOVHB-XJKSGUPXSA-N 0 3 372.469 2.273 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453713523 560399007 /nfs/dbraw/zinc/39/90/07/560399007.db2.gz INVAYAPUVQZKEK-WBMJQRKESA-N 0 3 362.861 2.143 20 30 FEEDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453714851 560399056 /nfs/dbraw/zinc/39/90/56/560399056.db2.gz QSHFJLRXDZKOON-LSDHHAIUSA-N 0 3 374.872 2.430 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@H](c1ccccc1)N(C)C ZINC000453730162 560400121 /nfs/dbraw/zinc/40/01/21/560400121.db2.gz BBZDMPMCUYKMSS-DNVCBOLYSA-N 0 3 364.449 2.499 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000453730147 560400147 /nfs/dbraw/zinc/40/01/47/560400147.db2.gz BBZDMPMCUYKMSS-BEFAXECRSA-N 0 3 364.449 2.499 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(=O)Nc2cccnc2C)CC1 ZINC000454455389 560445127 /nfs/dbraw/zinc/44/51/27/560445127.db2.gz BVNJFZULAVDMLJ-HNNXBMFYSA-N 0 3 359.474 2.057 20 30 FEEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000454711115 560455318 /nfs/dbraw/zinc/45/53/18/560455318.db2.gz JBRGFXCWWXTJLW-ZDUSSCGKSA-N 0 3 368.384 2.128 20 30 FEEDHN CN(C)CC(C)(C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000455117162 560470754 /nfs/dbraw/zinc/47/07/54/560470754.db2.gz ZEAJJFAEQJADDU-UHFFFAOYSA-N 0 3 360.849 2.859 20 30 FEEDHN C=CCC[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(=O)OCC ZINC000456630116 560526457 /nfs/dbraw/zinc/52/64/57/560526457.db2.gz PXVQYBGZEMLFND-INIZCTEOSA-N 0 3 352.475 2.036 20 30 FEEDHN C[C@@H](Cc1cnn(C)c1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000457446399 560567097 /nfs/dbraw/zinc/56/70/97/560567097.db2.gz DTMYDKQXXGEMLK-INIZCTEOSA-N 0 3 353.470 2.061 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000457636837 560579059 /nfs/dbraw/zinc/57/90/59/560579059.db2.gz TXDXPPGKCWNYID-BHIYHBOVSA-N 0 3 362.470 2.298 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000457644592 560579767 /nfs/dbraw/zinc/57/97/67/560579767.db2.gz HBVSAZHDQQHCSH-FHWLQOOXSA-N 0 3 350.503 2.461 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2ccnc3ccccc32)CC1 ZINC000459476621 560688606 /nfs/dbraw/zinc/68/86/06/560688606.db2.gz GFTNKRFCHIQQOF-QGZVFWFLSA-N 0 3 365.481 2.365 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460768339 560751384 /nfs/dbraw/zinc/75/13/84/560751384.db2.gz KYNSOEZIIMOWRQ-DOTOQJQBSA-N 0 3 363.506 2.251 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCCN(C)C1CCCCC1 ZINC000463698604 560821805 /nfs/dbraw/zinc/82/18/05/560821805.db2.gz CQAIWTZBCSRADZ-UHFFFAOYSA-N 0 3 351.472 2.110 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000467154900 560905213 /nfs/dbraw/zinc/90/52/13/560905213.db2.gz ITUYESPVKQVIMC-UHFFFAOYSA-N 0 3 358.486 2.190 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000470796838 560989783 /nfs/dbraw/zinc/98/97/83/560989783.db2.gz XNENMWRPZGTGKB-DYVFJYSZSA-N 0 3 374.400 2.449 20 30 FEEDHN CCN(CC)C(=O)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471950732 561014905 /nfs/dbraw/zinc/01/49/05/561014905.db2.gz HXFMBFPVGPPOAR-LJQANCHMSA-N 0 3 366.465 2.348 20 30 FEEDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000476616158 561124469 /nfs/dbraw/zinc/12/44/69/561124469.db2.gz ZKNRKVPNRJVPJL-AWEZNQCLSA-N 0 3 353.463 2.381 20 30 FEEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528380990 562325952 /nfs/dbraw/zinc/32/59/52/562325952.db2.gz LBWKBAFRWZRFKL-FUHWJXTLSA-N 0 3 373.497 2.172 20 30 FEEDHN COc1cc(OC)cc(N2CCCN(C[C@@H](O)CC3(C#N)CC3)CC2)c1 ZINC000528406028 562327429 /nfs/dbraw/zinc/32/74/29/562327429.db2.gz SANXPBRPLFIKOM-KRWDZBQOSA-N 0 3 359.470 2.271 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H](Cc2ccncc2)C1 ZINC000528442916 562329637 /nfs/dbraw/zinc/32/96/37/562329637.db2.gz NAAKFICJEOZYPJ-SFHVURJKSA-N 0 3 359.429 2.246 20 30 FEEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC#CCN1C(=O)c2ccccc2C1=O ZINC000528459063 562330511 /nfs/dbraw/zinc/33/05/11/562330511.db2.gz RZIDUOAKYGPLGT-MOPGFXCFSA-N 0 3 354.450 2.469 20 30 FEEDHN COCc1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1C#N ZINC000529206865 562364777 /nfs/dbraw/zinc/36/47/77/562364777.db2.gz YNJJSJFANUXQJI-HNNXBMFYSA-N 0 3 372.469 2.422 20 30 FEEDHN N#Cc1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)nc1 ZINC000531489706 562447687 /nfs/dbraw/zinc/44/76/87/562447687.db2.gz TYSPBKKOXAKUIB-UHFFFAOYSA-N 0 3 368.412 2.366 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(CO)CCOCC1 ZINC000532963775 562494072 /nfs/dbraw/zinc/49/40/72/562494072.db2.gz NSTSQQVXVUVSNE-CQSZACIVSA-N 0 3 363.483 2.008 20 30 FEEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCOC1 ZINC000541648299 562617212 /nfs/dbraw/zinc/61/72/12/562617212.db2.gz KAKKNJDJJZKBNC-GJZGRUSLSA-N 0 3 353.426 2.087 20 30 FEEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CNC(C)(C)CC(N)=O)c1C#N ZINC000541695587 562617930 /nfs/dbraw/zinc/61/79/30/562617930.db2.gz AASGVTXRORRANR-UHFFFAOYSA-N 0 3 359.474 2.274 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806807512 674390961 /nfs/dbraw/zinc/39/09/61/674390961.db2.gz PCIHOABDZRVRMZ-AWEZNQCLSA-N 0 3 351.491 2.256 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N[C@H]3CC[C@@H](CC#N)C3)ccc2[nH]c1=O ZINC000602156588 567944273 /nfs/dbraw/zinc/94/42/73/567944273.db2.gz HNHJHKXPYIMBLS-ZFWWWQNUSA-N 0 3 355.442 2.116 20 30 FEEDHN N#CC[C@]1(O)CCN(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC000602392505 567974951 /nfs/dbraw/zinc/97/49/51/567974951.db2.gz RHHJVGXQEUKPET-CTNGQTDRSA-N 0 3 370.497 2.491 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000602512473 567989335 /nfs/dbraw/zinc/98/93/35/567989335.db2.gz BKZPEZUJECEQSZ-CQSZACIVSA-N 0 3 351.472 2.247 20 30 FEEDHN C[C@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000603097852 568060241 /nfs/dbraw/zinc/06/02/41/568060241.db2.gz GSFYNGFYRBNEIL-ROUUACIJSA-N 0 3 354.498 2.343 20 30 FEEDHN C=CC[C@H]1CCCN(C(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000669178330 568268201 /nfs/dbraw/zinc/26/82/01/568268201.db2.gz DHEILEBSPIOJCR-SFHVURJKSA-N 0 3 370.497 2.229 20 30 FEEDHN C[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)N1CCC(C)CC1 ZINC000569060580 568295552 /nfs/dbraw/zinc/29/55/52/568295552.db2.gz OAKKSPMVTRECGR-SJLPKXTDSA-N 0 3 371.485 2.236 20 30 FEEDHN CN(C)CCc1ccccc1NC(=O)C(=O)N1CCc2c1cccc2C#N ZINC000569220429 568313767 /nfs/dbraw/zinc/31/37/67/568313767.db2.gz IZOXTSMAIXPIQQ-UHFFFAOYSA-N 0 3 362.433 2.190 20 30 FEEDHN C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000559867970 674559056 /nfs/dbraw/zinc/55/90/56/674559056.db2.gz MJRBSSQKOMBYGI-IBGZPJMESA-N 0 3 367.559 2.135 20 30 FEEDHN C=CCNC(=O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000561670123 674688604 /nfs/dbraw/zinc/68/86/04/674688604.db2.gz FAASYMHRCZFMSQ-MRXNPFEDSA-N 0 3 366.893 2.324 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cnc(C)s3)C[C@H]2C1 ZINC001048827043 675015940 /nfs/dbraw/zinc/01/59/40/675015940.db2.gz TUVBTTPBTXKSFM-ATLSCFEFSA-N 0 3 361.511 2.323 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3scnc3C)C[C@H]2C1 ZINC001049111073 675023425 /nfs/dbraw/zinc/02/34/25/675023425.db2.gz IKBPXRWDCBXIFP-DFGXFYAUSA-N 0 3 361.511 2.323 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000564845864 675067267 /nfs/dbraw/zinc/06/72/67/675067267.db2.gz FCCZHQJPHPUNFU-ZACQAIPSSA-N 0 3 363.527 2.288 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/CCCN(CC)S(C)(=O)=O)c([O-])c1 ZINC000054908262 670342728 /nfs/dbraw/zinc/34/27/28/670342728.db2.gz IEZLBZSXFRKQMT-NBVRZTHBSA-N 0 3 355.504 2.329 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000113651777 670886727 /nfs/dbraw/zinc/88/67/27/670886727.db2.gz BWPOTCFIPIFENU-JQWIXIFHSA-N 0 3 356.781 2.108 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000818101855 675196266 /nfs/dbraw/zinc/19/62/66/675196266.db2.gz XGPALQNEYBNTGJ-LSDHHAIUSA-N 0 3 366.259 2.370 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)NC1CCN(CC#N)CC1)c1ccsc1 ZINC000609336392 675918871 /nfs/dbraw/zinc/91/88/71/675918871.db2.gz WPGWXOZBGOWJMY-KRWDZBQOSA-N 0 3 363.531 2.418 20 30 FEEDHN CC[S@](=O)[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000578350560 671658930 /nfs/dbraw/zinc/65/89/30/671658930.db2.gz QJICDPSPXVSRAY-KXNSMUHISA-N 0 3 368.524 2.001 20 30 FEEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCC1 ZINC000579291232 671725137 /nfs/dbraw/zinc/72/51/37/671725137.db2.gz GZACOXUSVPKQKH-SFHVURJKSA-N 0 3 361.511 2.464 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(C)c1 ZINC000124300977 671994609 /nfs/dbraw/zinc/99/46/09/671994609.db2.gz QCZWSFVRSSJGMQ-AWEZNQCLSA-N 0 3 352.818 2.279 20 30 FEEDHN COc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)cc1Br ZINC000129565121 672063919 /nfs/dbraw/zinc/06/39/19/672063919.db2.gz ZEUSCNCBAGMSIU-LBPRGKRZSA-N 0 3 365.227 2.378 20 30 FEEDHN C#CCN1CCC(C(=O)NCCN(CCC)C(=O)OC(C)(C)C)CC1 ZINC000132121942 672094508 /nfs/dbraw/zinc/09/45/08/672094508.db2.gz GAWFXNKDRNIZAE-UHFFFAOYSA-N 0 3 351.491 2.095 20 30 FEEDHN C#CCSCCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000172400346 672341476 /nfs/dbraw/zinc/34/14/76/672341476.db2.gz XVMLIFAZRSUYRO-SFHVURJKSA-N 0 3 361.511 2.498 20 30 FEEDHN CN(CCC#N)C(=O)CCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000611302687 676031277 /nfs/dbraw/zinc/03/12/77/676031277.db2.gz WQRIYFFIIGEVPC-INIZCTEOSA-N 0 3 357.376 2.265 20 30 FEEDHN N#Cc1cc(Br)cnc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000590685664 672601812 /nfs/dbraw/zinc/60/18/12/672601812.db2.gz KWWRJUXESXIPRU-OAHLLOKOSA-N 0 3 365.275 2.407 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000247538047 672851469 /nfs/dbraw/zinc/85/14/69/672851469.db2.gz QJXJAERTCVTYFR-FRRDWIJNSA-N 0 3 350.365 2.320 20 30 FEEDHN O=C(NCCNCc1ccc(F)c(Br)c1)C1N=CC=CC1=O ZINC000255334904 672888561 /nfs/dbraw/zinc/88/85/61/672888561.db2.gz GYRPQHULJPVMBL-CCEZHUSRSA-N 0 3 368.206 2.204 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@@](C)(O)CO)cc1OCC ZINC000684539321 672939818 /nfs/dbraw/zinc/93/98/18/672939818.db2.gz XPVRYWJPLTVMME-MRXNPFEDSA-N 0 3 374.275 2.246 20 30 FEEDHN CCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594430834 673070769 /nfs/dbraw/zinc/07/07/69/673070769.db2.gz BPIFBOWUWMYKPJ-HNNXBMFYSA-N 0 3 352.460 2.188 20 30 FEEDHN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CCN(C2CC2)C1 ZINC000329303845 673075394 /nfs/dbraw/zinc/07/53/94/673075394.db2.gz ODDRNIDGUROEFX-ZDUSSCGKSA-N 0 3 365.861 2.394 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCCC3)C2)c(F)c1 ZINC000594854420 673164960 /nfs/dbraw/zinc/16/49/60/673164960.db2.gz JYJCEFPIFATNNX-AWEZNQCLSA-N 0 3 351.447 2.383 20 30 FEEDHN CN(C)CCn1nnnc1SCc1ccc(C#N)cc1C(F)(F)F ZINC000594888720 673175672 /nfs/dbraw/zinc/17/56/72/673175672.db2.gz CCWMGNDUTJJKLX-UHFFFAOYSA-N 0 3 356.377 2.417 20 30 FEEDHN CCOCCOCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000729889556 673252044 /nfs/dbraw/zinc/25/20/44/673252044.db2.gz SBNOVLCJQVRDAY-LBPRGKRZSA-N 0 3 354.790 2.049 20 30 FEEDHN C=C(C)CN(CC)C(=O)CNC1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000595546013 673264372 /nfs/dbraw/zinc/26/43/72/673264372.db2.gz FQXJYODLAFHMLK-UHFFFAOYSA-N 0 3 354.491 2.282 20 30 FEEDHN N#Cc1ccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1Cl ZINC000595601170 673272382 /nfs/dbraw/zinc/27/23/82/673272382.db2.gz NYCUBQPDIMLMRE-INIZCTEOSA-N 0 3 362.861 2.264 20 30 FEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595661487 673280119 /nfs/dbraw/zinc/28/01/19/673280119.db2.gz CEMNPUKDUMMGCP-CQSZACIVSA-N 0 3 361.515 2.324 20 30 FEEDHN C[S@](=O)c1nncn1CC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000732717934 673379469 /nfs/dbraw/zinc/37/94/69/673379469.db2.gz LSCDRYVXDLCMBK-YDBLSZJJSA-N 0 3 371.447 2.015 20 30 FEEDHN CN(C)CCn1nnnc1SCc1cc(Cl)ccc1OCC#N ZINC000735233271 673486908 /nfs/dbraw/zinc/48/69/08/673486908.db2.gz OXKLIUTULKZMCW-UHFFFAOYSA-N 0 3 352.851 2.083 20 30 FEEDHN N#Cc1cccc2c1CCN2C(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000597788379 673507128 /nfs/dbraw/zinc/50/71/28/673507128.db2.gz LKSSTHOQMXMEKF-JSGCOSHPSA-N 0 3 354.328 2.431 20 30 FEEDHN N#CC1(C[C@H](O)CN2CCC3(CC2)C(F)(F)C3(F)F)CCOCC1 ZINC000599451522 673677140 /nfs/dbraw/zinc/67/71/40/673677140.db2.gz ZFSOEBUTOSHIGS-LBPRGKRZSA-N 0 3 350.356 2.424 20 30 FEEDHN CCNC(=O)CCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000744033782 673780219 /nfs/dbraw/zinc/78/02/19/673780219.db2.gz XNUMNUATUCXXEB-LBPRGKRZSA-N 0 3 365.817 2.302 20 30 FEEDHN N#CC1(C[C@H](O)CNCc2cccc3c2OC(F)(F)O3)CCOCC1 ZINC000600742978 673796016 /nfs/dbraw/zinc/79/60/16/673796016.db2.gz GQLPFPSWHRIWRQ-ZDUSSCGKSA-N 0 3 354.353 2.169 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000601319581 673841935 /nfs/dbraw/zinc/84/19/35/673841935.db2.gz PLXDYXODIQZOGV-MRXNPFEDSA-N 0 3 351.447 2.255 20 30 FEEDHN N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000601376657 673851603 /nfs/dbraw/zinc/85/16/03/673851603.db2.gz NMOQYQPZJIVRAJ-SJLPKXTDSA-N 0 3 359.495 2.390 20 30 FEEDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000601419947 673859340 /nfs/dbraw/zinc/85/93/40/673859340.db2.gz BFQJSTDFWICIML-GXFFZTMASA-N 0 3 372.288 2.034 20 30 FEEDHN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000747106760 673907300 /nfs/dbraw/zinc/90/73/00/673907300.db2.gz YSJNTSRHYXEJGE-OCCSQVGLSA-N 0 3 351.447 2.257 20 30 FEEDHN C#CCN(C)CCCNC(=O)CSc1nc(-c2cccc(C)c2)no1 ZINC000818588924 675226128 /nfs/dbraw/zinc/22/61/28/675226128.db2.gz JOMOCDKJFHDXGF-UHFFFAOYSA-N 0 3 358.467 2.208 20 30 FEEDHN CSC1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCN(C)CC1 ZINC000566684986 675235038 /nfs/dbraw/zinc/23/50/38/675235038.db2.gz FAXUAANOBRINJX-UHFFFAOYSA-N 0 3 373.931 2.317 20 30 FEEDHN C=CCOc1ccccc1CNC[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819049431 675255518 /nfs/dbraw/zinc/25/55/18/675255518.db2.gz JNWGLTDLLYABEO-SFHVURJKSA-N 0 3 361.463 2.478 20 30 FEEDHN CC(C)Oc1ccc(NC(=S)NN=C2CCN(CCO)CC2)cc1 ZINC000819806895 675316164 /nfs/dbraw/zinc/31/61/64/675316164.db2.gz BBBCYENYJNZDJM-UHFFFAOYSA-N 0 3 350.488 2.204 20 30 FEEDHN O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1CN2CCN1CCC2 ZINC000677854064 679701130 /nfs/dbraw/zinc/70/11/30/679701130.db2.gz SKBDPNRGGCZJAL-LJQANCHMSA-N 0 3 351.475 2.476 20 30 FEEDHN COc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1C#N ZINC000830408913 677037843 /nfs/dbraw/zinc/03/78/43/677037843.db2.gz UPFGPPDTUQMCOZ-CHWSQXEVSA-N 0 3 358.316 2.489 20 30 FEEDHN C=CCN1CCC(NC(=O)CCC(=O)Nc2c(F)cccc2F)CC1 ZINC000635531222 677101329 /nfs/dbraw/zinc/10/13/29/677101329.db2.gz RBEWFFJRASTWSZ-UHFFFAOYSA-N 0 3 351.397 2.450 20 30 FEEDHN C=C(C)[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000654534750 677587021 /nfs/dbraw/zinc/58/70/21/677587021.db2.gz OYSTVHIHTDMEQD-JJRVBVJISA-N 0 3 351.397 2.042 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCN(CC)C1=O ZINC000657237879 677987146 /nfs/dbraw/zinc/98/71/46/677987146.db2.gz JLZSSJOMPGOQEA-OAHLLOKOSA-N 0 3 363.531 2.205 20 30 FEEDHN C=CCCn1cc(CNCCCCn2cc(Br)cn2)nn1 ZINC000657453181 678001211 /nfs/dbraw/zinc/00/12/11/678001211.db2.gz RSLYQBOOOXETND-UHFFFAOYSA-N 0 3 353.268 2.383 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834761676 680264417 /nfs/dbraw/zinc/26/44/17/680264417.db2.gz RKPVGIJAYQCNEY-HUUCEWRRSA-N 0 3 360.520 2.355 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@@H]1CSc2ccccc2O1 ZINC000835058166 680291713 /nfs/dbraw/zinc/29/17/13/680291713.db2.gz KKARVSSZBVLMMA-KGLIPLIRSA-N 0 3 362.451 2.181 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2csnc2OC)C1 ZINC000983697928 680322135 /nfs/dbraw/zinc/32/21/35/680322135.db2.gz HWIQVFFRRVKNJP-MIGQKNRLSA-N 0 3 365.499 2.117 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000836488715 680476340 /nfs/dbraw/zinc/47/63/40/680476340.db2.gz MCEPVBAAJMLNLF-AWEZNQCLSA-N 0 3 358.269 2.281 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1c(Cl)cccc1-n1ccnc1 ZINC000836491322 680477013 /nfs/dbraw/zinc/47/70/13/680477013.db2.gz QINRIWJQRJJXKX-UHFFFAOYSA-N 0 3 359.861 2.280 20 30 FEEDHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043585000 680589689 /nfs/dbraw/zinc/58/96/89/680589689.db2.gz HOPQPWPOGUTLFY-ZYHUDNBSSA-N 0 3 367.906 2.411 20 30 FEEDHN C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)CC2)C1 ZINC001046068777 680643471 /nfs/dbraw/zinc/64/34/71/680643471.db2.gz TUQJBKHBWKGQFL-KZNAEPCWSA-N 0 3 357.523 2.012 20 30 FEEDHN CCC[C@@H]1C(=O)NCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000766256605 680872018 /nfs/dbraw/zinc/87/20/18/680872018.db2.gz KINYNOSWPIEYFB-TZMCWYRMSA-N 0 3 356.451 2.073 20 30 FEEDHN CC(C)(C)OC(=O)COCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000842684478 680959505 /nfs/dbraw/zinc/95/95/05/680959505.db2.gz LMYRMFJQLMHKHR-CYBMUJFWSA-N 0 3 366.801 2.346 20 30 FEEDHN C[C@@H](C[C@H](O)c1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843087203 680986813 /nfs/dbraw/zinc/98/68/13/680986813.db2.gz JINZKEKBTZAURH-KXBFYZLASA-N 0 3 358.463 2.434 20 30 FEEDHN C[C@H](C[C@H](O)c1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843087189 680986819 /nfs/dbraw/zinc/98/68/19/680986819.db2.gz JINZKEKBTZAURH-BEFAXECRSA-N 0 3 358.463 2.434 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1cnc(C)s1)CC2 ZINC001050670538 681053402 /nfs/dbraw/zinc/05/34/02/681053402.db2.gz NHRJDJLBSBCGHP-SJORKVTESA-N 0 3 361.511 2.467 20 30 FEEDHN Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)c1C#N ZINC001054426327 681108586 /nfs/dbraw/zinc/10/85/86/681108586.db2.gz UBFQTWCBTBHQMB-XNRPHZJLSA-N 0 3 363.531 2.416 20 30 FEEDHN Cc1nsc(NC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c1C#N ZINC001054571907 681113449 /nfs/dbraw/zinc/11/34/49/681113449.db2.gz QSOFRRUPQDMGOS-UMVBOHGHSA-N 0 3 361.515 2.314 20 30 FEEDHN N#Cc1cc(NC(=O)NC[C@H]2CCN2C2CCOCC2)c(F)cc1F ZINC000932209955 681196842 /nfs/dbraw/zinc/19/68/42/681196842.db2.gz JOQHTNJLFKWBCI-CYBMUJFWSA-N 0 3 350.369 2.211 20 30 FEEDHN COC(=O)c1cnc([C@H]2CCN(C[C@H](O)c3ccc(C#N)cc3)C2)s1 ZINC000932670201 681282570 /nfs/dbraw/zinc/28/25/70/681282570.db2.gz VYCZUTSDZLABCB-GJZGRUSLSA-N 0 3 357.435 2.324 20 30 FEEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@H](CC#N)C(F)(F)F ZINC000932892345 681323692 /nfs/dbraw/zinc/32/36/92/681323692.db2.gz GYQFERHSSLXENI-CHWSQXEVSA-N 0 3 362.396 2.116 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000848456204 681549192 /nfs/dbraw/zinc/54/91/92/681549192.db2.gz CCXLUPAVEWIZKH-UHFFFAOYSA-N 0 3 363.508 2.352 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC000913385630 685476099 /nfs/dbraw/zinc/47/60/99/685476099.db2.gz AMZMSSAXXPVGLC-UHFFFAOYSA-N 0 3 353.781 2.349 20 30 FEEDHN C=C(CCN(C)C)C(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000913790201 685485194 /nfs/dbraw/zinc/48/51/94/685485194.db2.gz NHRZSWYWOCYYJI-UHFFFAOYSA-N 0 3 364.511 2.268 20 30 FEEDHN Cn1cc(CNCC[S@](=O)CC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000850348720 681888809 /nfs/dbraw/zinc/88/88/09/681888809.db2.gz SFEJOTAJEYPPGK-VWLOTQADSA-N 0 3 370.400 2.359 20 30 FEEDHN N#CC(C(=O)C[C@@H](n1cccn1)C(F)(F)F)C(=O)Nc1ccccn1 ZINC000850783047 681958681 /nfs/dbraw/zinc/95/86/81/681958681.db2.gz VFKFSIWFSUVNTD-CMPLNLGQSA-N 0 3 351.288 2.119 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000914267246 685501681 /nfs/dbraw/zinc/50/16/81/685501681.db2.gz HCDMMBQCSPRMCR-HKUYNNGSSA-N 0 3 361.511 2.421 20 30 FEEDHN N#Cc1ccc(C2(NS(=O)(=O)C[C@@]34CCN(C3)CCC4)CCC2)cc1 ZINC000916825667 685527982 /nfs/dbraw/zinc/52/79/82/685527982.db2.gz MMGCAAKXKWCWHZ-SFHVURJKSA-N 0 3 359.495 2.343 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCN2CC(F)(F)F)CC1 ZINC000917098573 685529702 /nfs/dbraw/zinc/52/97/02/685529702.db2.gz ZLWFUSFQJSWRQZ-OAHLLOKOSA-N 0 3 362.440 2.353 20 30 FEEDHN COC(=O)C12CC(C1)CN2CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852442390 682279621 /nfs/dbraw/zinc/27/96/21/682279621.db2.gz CJXNNAMEWKSVOZ-BJCXPLBRSA-N 0 3 355.419 2.110 20 30 FEEDHN COC(=O)N(C)CCN(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000852570485 682301342 /nfs/dbraw/zinc/30/13/42/682301342.db2.gz RPZMKNZNXUBYKS-UHFFFAOYSA-N 0 3 352.822 2.170 20 30 FEEDHN COC(=O)[C@H]1C[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000852696976 682321939 /nfs/dbraw/zinc/32/19/39/682321939.db2.gz VRKDDLVUCRJXDI-XQQFMLRXSA-N 0 3 357.435 2.356 20 30 FEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)Cc2nc(C)sc2C)cc1 ZINC000786318955 682367265 /nfs/dbraw/zinc/36/72/65/682367265.db2.gz NDMMNVASFKUWAD-OAHLLOKOSA-N 0 3 357.435 2.336 20 30 FEEDHN CCOC(=O)NCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786535936 682384127 /nfs/dbraw/zinc/38/41/27/682384127.db2.gz WDEFBTFVGDEIEG-CQSZACIVSA-N 0 3 365.817 2.191 20 30 FEEDHN N#CC(C(=O)CC1OCCO1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000796779887 683194954 /nfs/dbraw/zinc/19/49/54/683194954.db2.gz OPSVXYUPXFGFJP-NSHDSACASA-N 0 3 356.350 2.412 20 30 FEEDHN COCC(=O)N[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)C ZINC000797569169 683259421 /nfs/dbraw/zinc/25/94/21/683259421.db2.gz NUXXTRHZFAYNFP-RISCZKNCSA-N 0 3 351.472 2.404 20 30 FEEDHN C#CCN(C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)C1CCN(C)CC1 ZINC000921701967 683548717 /nfs/dbraw/zinc/54/87/17/683548717.db2.gz VOUSIHWCUGKPAK-PMPSAXMXSA-N 0 3 353.557 2.105 20 30 FEEDHN N#Cc1sc(NC(=O)NC[C@@H]2CCN2C2CCOCC2)nc1Cl ZINC000931724481 684337161 /nfs/dbraw/zinc/33/71/61/684337161.db2.gz HXANUVRTUZDOQR-JTQLQIEISA-N 0 3 355.851 2.043 20 30 FEEDHN CC(C)(C)OC(=O)N1CCO[C@]2(CCN(CCCSCC#N)C2)C1 ZINC000931852282 684357319 /nfs/dbraw/zinc/35/73/19/684357319.db2.gz OJCINNVFFKXUOC-KRWDZBQOSA-N 0 3 355.504 2.345 20 30 FEEDHN C#CCN(C)CCCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C1=O ZINC000925312113 684549092 /nfs/dbraw/zinc/54/90/92/684549092.db2.gz GMAPNZWWHZTNLM-AWEZNQCLSA-N 0 3 353.344 2.253 20 30 FEEDHN C#CCN(C)CCCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C1=O ZINC000925314924 684549325 /nfs/dbraw/zinc/54/93/25/684549325.db2.gz WGFQGORSJOFYGG-AWEZNQCLSA-N 0 3 353.344 2.253 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](O)CC(C)(C)O ZINC000871968867 684898050 /nfs/dbraw/zinc/89/80/50/684898050.db2.gz MXIIANWOUJZJGS-HNNXBMFYSA-N 0 3 368.547 2.107 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000875622170 686050675 /nfs/dbraw/zinc/05/06/75/686050675.db2.gz FDGUYKCPFHLPIW-HNNXBMFYSA-N 0 3 352.360 2.416 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000876607174 686227948 /nfs/dbraw/zinc/22/79/48/686227948.db2.gz QQOVAQHXBHAQPE-GFCCVEGCSA-N 0 3 374.666 2.364 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000876642879 686235622 /nfs/dbraw/zinc/23/56/22/686235622.db2.gz OKGQZQFQPDARHY-HNNXBMFYSA-N 0 3 353.850 2.087 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000876686320 686243923 /nfs/dbraw/zinc/24/39/23/686243923.db2.gz UXXIRZUIKBCOSI-VXGBXAGGSA-N 0 3 369.815 2.106 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000876753424 686260690 /nfs/dbraw/zinc/26/06/90/686260690.db2.gz KSFMAZKICZTLLM-FUHWJXTLSA-N 0 3 365.905 2.206 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000876753423 686260709 /nfs/dbraw/zinc/26/07/09/686260709.db2.gz KSFMAZKICZTLLM-AEFFLSMTSA-N 0 3 365.905 2.206 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000876753229 686261077 /nfs/dbraw/zinc/26/10/77/686261077.db2.gz IPHUAJZCOMNBOU-MLGOLLRUSA-N 0 3 369.868 2.434 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000876777465 686266425 /nfs/dbraw/zinc/26/64/25/686266425.db2.gz NFTZYPIGHBPOCB-DYVFJYSZSA-N 0 3 367.877 2.116 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(Nc2cccc(C(=O)OC)c2)CC1 ZINC000876900905 686291088 /nfs/dbraw/zinc/29/10/88/686291088.db2.gz UDPXAKQIKWBCGX-MRXNPFEDSA-N 0 3 365.861 2.346 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000876902755 686291473 /nfs/dbraw/zinc/29/14/73/686291473.db2.gz GLLHKNSKBAYGOV-GUTXKFCHSA-N 0 3 356.253 2.198 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000876939600 686297995 /nfs/dbraw/zinc/29/79/95/686297995.db2.gz IUPUHZJKEJFBII-GFCCVEGCSA-N 0 3 350.806 2.073 20 30 FEEDHN N#Cc1cnc(Cl)c(CNC2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000876994492 686306862 /nfs/dbraw/zinc/30/68/62/686306862.db2.gz JVCHUZPSLJSTOH-UHFFFAOYSA-N 0 3 355.829 2.396 20 30 FEEDHN C#CCC1(O)CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000883063879 687556093 /nfs/dbraw/zinc/55/60/93/687556093.db2.gz GRLVCNZJCOYWJK-INIZCTEOSA-N 0 3 361.511 2.445 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@@H](c1nccs1)c1ccccc1)C2 ZINC000884110265 687791751 /nfs/dbraw/zinc/79/17/51/687791751.db2.gz DSBFRSXTWRLIDN-YJTLQXIOSA-N 0 3 352.463 2.488 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1nc(-c3ccc(F)cc3)ns1)C2 ZINC000884136194 687798005 /nfs/dbraw/zinc/79/80/05/687798005.db2.gz FPNUBHOYKMMTEZ-VMBJYNEYSA-N 0 3 357.414 2.422 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C2 ZINC000884449249 687873253 /nfs/dbraw/zinc/87/32/53/687873253.db2.gz ZPHYXWFAODIZQE-SYPMSLAUSA-N 0 3 359.857 2.426 20 30 FEEDHN C#CCN(C(=O)COCc1nc2ccccc2s1)C1CCN(C)CC1 ZINC000886587046 688280457 /nfs/dbraw/zinc/28/04/57/688280457.db2.gz DPDFWZHCYJUBOH-UHFFFAOYSA-N 0 3 357.479 2.369 20 30 FEEDHN C[C@]1(NC(=O)NCc2nc(C#N)cs2)CCN(Cc2ccccc2)C1 ZINC000897269402 689998007 /nfs/dbraw/zinc/99/80/07/689998007.db2.gz DTCHAVNHVWBDKW-SFHVURJKSA-N 0 3 355.467 2.479 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)c1cccc(C#CCO)c1 ZINC000900192839 690482104 /nfs/dbraw/zinc/48/21/04/690482104.db2.gz XYAUJVZFCOMPCQ-UHFFFAOYSA-N 0 3 358.507 2.122 20 30 FEEDHN Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1C#N ZINC001164973143 722130034 /nfs/dbraw/zinc/13/00/34/722130034.db2.gz BARRXMNAXZPOGE-PMACEKPBSA-N 0 3 363.465 2.384 20 30 FEEDHN N#Cc1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000025499869 539761207 /nfs/dbraw/zinc/76/12/07/539761207.db2.gz HLHAWLQEHFRAOQ-QGZVFWFLSA-N 0 3 352.394 2.298 20 30 FEEDHN Cc1[nH]ncc1CCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000045539886 540216730 /nfs/dbraw/zinc/21/67/30/540216730.db2.gz FDYAGNHIWGQQSD-UHFFFAOYSA-N 0 3 366.469 2.050 20 30 FEEDHN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000535545050 540482056 /nfs/dbraw/zinc/48/20/56/540482056.db2.gz CAASBYZJQGKMRY-HOSILWTGSA-N 0 3 360.506 2.057 20 30 FEEDHN Cc1noc(CCCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)n1 ZINC000065930521 541272553 /nfs/dbraw/zinc/27/25/53/541272553.db2.gz JNQVHFPRRRNDIV-UHFFFAOYSA-N 0 3 355.442 2.163 20 30 FEEDHN CC(C)CN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000065961491 541274806 /nfs/dbraw/zinc/27/48/06/541274806.db2.gz NITXWVKWULIYNG-UHFFFAOYSA-N 0 3 371.441 2.043 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000069500703 541691208 /nfs/dbraw/zinc/69/12/08/541691208.db2.gz FAKDNDXNOUSMDV-MJGOQNOKSA-N 0 3 359.470 2.189 20 30 FEEDHN CCN(CC)C(=O)C1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000069682152 541703301 /nfs/dbraw/zinc/70/33/01/541703301.db2.gz XOKZJTZVDHWNJK-IBGZPJMESA-N 0 3 373.497 2.073 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1CN1CCC(CO)CC1 ZINC000072079577 541783335 /nfs/dbraw/zinc/78/33/35/541783335.db2.gz XPDMGEGZQCLUGR-NRFANRHFSA-N 0 3 372.513 2.357 20 30 FEEDHN CCC[C@H]1[C@@H](C)CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000072776503 541864060 /nfs/dbraw/zinc/86/40/60/541864060.db2.gz AUBNHCIYIRECTM-YJBOKZPZSA-N 0 3 373.501 2.404 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCc2csc(N3CCCC3)n2)CC1 ZINC000074132361 542040955 /nfs/dbraw/zinc/04/09/55/542040955.db2.gz QHBOPEYBYDJGIX-UHFFFAOYSA-N 0 3 363.531 2.235 20 30 FEEDHN CN(CCC(=O)Nc1ccccc1C#N)C[C@@H](O)COCc1ccccc1 ZINC000074289092 542064382 /nfs/dbraw/zinc/06/43/82/542064382.db2.gz STKVJCRBAXPWES-LJQANCHMSA-N 0 3 367.449 2.396 20 30 FEEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000076734832 542318774 /nfs/dbraw/zinc/31/87/74/542318774.db2.gz HJXWGDUPABNMJP-CQSZACIVSA-N 0 3 353.488 2.162 20 30 FEEDHN C#CCNC(=O)[C@H](C)N[C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801959044 674157024 /nfs/dbraw/zinc/15/70/24/674157024.db2.gz FXKHXBFSPFAGRR-AFAVFJNCSA-N 0 3 351.853 2.342 20 30 FEEDHN CCO[C@@H](C)c1noc(CN2CCCN(CCCSCC#N)CC2)n1 ZINC000080629393 542597717 /nfs/dbraw/zinc/59/77/17/542597717.db2.gz KQKZDHRHHLKVNV-HNNXBMFYSA-N 0 3 367.519 2.322 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000081366535 542651178 /nfs/dbraw/zinc/65/11/78/542651178.db2.gz PNCSKAGKQCRMEK-GJZGRUSLSA-N 0 3 374.510 2.287 20 30 FEEDHN CN(C)CCN1C[C@H](C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CC1=O ZINC000081368465 542651320 /nfs/dbraw/zinc/65/13/20/542651320.db2.gz PVIWVJNFYGUHMJ-AEFFLSMTSA-N 0 3 370.497 2.075 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CNC2(c3ccccc3)CCC2)CC1 ZINC000091596675 542815069 /nfs/dbraw/zinc/81/50/69/542815069.db2.gz XVBRRHHRTKUYNB-IBGZPJMESA-N 0 3 354.498 2.348 20 30 FEEDHN C#CCCOc1ccc(CN2CCC(C(=O)NCCCOC)CC2)cc1 ZINC000092362027 542859838 /nfs/dbraw/zinc/85/98/38/542859838.db2.gz LKWPCPYGBQBOLR-UHFFFAOYSA-N 0 3 358.482 2.453 20 30 FEEDHN COc1cc(/C=C/C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1OCC#N ZINC000247423267 549332805 /nfs/dbraw/zinc/33/28/05/549332805.db2.gz OCYIDDPWPNRGEI-FJVHFBRSSA-N 0 3 357.454 2.409 20 30 FEEDHN N#C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCO1 ZINC000106046122 543186947 /nfs/dbraw/zinc/18/69/47/543186947.db2.gz ZROTUOPRJMTAOB-NVXWUHKLSA-N 0 3 367.371 2.192 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000106349400 543224822 /nfs/dbraw/zinc/22/48/22/543224822.db2.gz GTZJVKKYOVZMHV-UHFFFAOYSA-N 0 3 367.396 2.383 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000106340948 543224840 /nfs/dbraw/zinc/22/48/40/543224840.db2.gz WKFJPBKAONYFNN-UHFFFAOYSA-N 0 3 362.518 2.071 20 30 FEEDHN COCCN(C)CC[C@@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1 ZINC000109142591 543315611 /nfs/dbraw/zinc/31/56/11/543315611.db2.gz CNZDGKLPTSHJEH-GOSISDBHSA-N 0 3 359.470 2.133 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCN1CCOC ZINC000111865100 543421793 /nfs/dbraw/zinc/42/17/93/543421793.db2.gz ZZJMWJAYEKBFDF-IBGZPJMESA-N 0 3 356.470 2.367 20 30 FEEDHN N#CCCn1cc(CNC[C@@H]2CN(C3CC3)CCO2)c(-c2ccccc2)n1 ZINC000113338951 543484408 /nfs/dbraw/zinc/48/44/08/543484408.db2.gz OLHMHFIUWNMYGN-HXUWFJFHSA-N 0 3 365.481 2.417 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1OCCN(C)C ZINC000114738468 543534751 /nfs/dbraw/zinc/53/47/51/543534751.db2.gz NZTBXRUBGLTWNL-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000552108951 674188231 /nfs/dbraw/zinc/18/82/31/674188231.db2.gz ODXZKIVNOLNEJF-XJKSGUPXSA-N 0 3 351.447 2.086 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000116733952 543613722 /nfs/dbraw/zinc/61/37/22/543613722.db2.gz WREIYAZGIMZYSZ-UHFFFAOYSA-N 0 3 353.470 2.245 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC000123661047 543775949 /nfs/dbraw/zinc/77/59/49/543775949.db2.gz QXSANXVRUZNKQF-CALCHBBNSA-N 0 3 359.470 2.137 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3CC(C)C)CC2)o1 ZINC000123649128 543775154 /nfs/dbraw/zinc/77/51/54/543775154.db2.gz JFMROCIWTGNSKB-KRWDZBQOSA-N 0 3 373.501 2.404 20 30 FEEDHN N#Cc1ccccc1N1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000123962500 543793240 /nfs/dbraw/zinc/79/32/40/543793240.db2.gz KWPJDZYAOPCPGL-FQEVSTJZSA-N 0 3 352.482 2.471 20 30 FEEDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127460091 543994674 /nfs/dbraw/zinc/99/46/74/543994674.db2.gz CDJFCFWXWHRQKG-HNNXBMFYSA-N 0 3 366.387 2.320 20 30 FEEDHN C#CCCCCNC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000128271716 544042387 /nfs/dbraw/zinc/04/23/87/544042387.db2.gz KWDSIQKZQOMIQX-UHFFFAOYSA-N 0 3 371.481 2.410 20 30 FEEDHN N#CCCN(C(=O)CN[C@H]1CCCC[C@H]1C(N)=O)c1cccc(Cl)c1 ZINC000131167125 544179325 /nfs/dbraw/zinc/17/93/25/544179325.db2.gz MAXWHDSRQWULPR-CVEARBPZSA-N 0 3 362.861 2.220 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000105269613 222366514 /nfs/dbraw/zinc/36/65/14/222366514.db2.gz RHEAZYJDAATYPE-UHFFFAOYSA-N 0 3 358.486 2.034 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000132200687 544223024 /nfs/dbraw/zinc/22/30/24/544223024.db2.gz ZWGSSQIRTVMOMS-SFHVURJKSA-N 0 3 367.449 2.235 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2cccn2)n1 ZINC000134473453 544309708 /nfs/dbraw/zinc/30/97/08/544309708.db2.gz JAQGMHHRMZHZPP-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C1CCCCC1 ZINC000135814624 544361895 /nfs/dbraw/zinc/36/18/95/544361895.db2.gz ABAIXKMPTUFQCM-KRWDZBQOSA-N 0 3 360.433 2.263 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000140816046 544410225 /nfs/dbraw/zinc/41/02/25/544410225.db2.gz VWQWNEZKRHTKQP-CYBMUJFWSA-N 0 3 356.401 2.398 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCCN(C3CC3)CC2)c(OC)c1 ZINC000145738723 544436000 /nfs/dbraw/zinc/43/60/00/544436000.db2.gz WCASJVXSFCOPMB-LJQANCHMSA-N 0 3 360.498 2.334 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)ccc1Cl ZINC000146232155 544438725 /nfs/dbraw/zinc/43/87/25/544438725.db2.gz HUDMGCNJAAKMOT-CQSZACIVSA-N 0 3 353.875 2.461 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC000150898530 544484003 /nfs/dbraw/zinc/48/40/03/544484003.db2.gz AIICSGJFZAHOSB-IBGZPJMESA-N 0 3 370.493 2.401 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000150929190 544487594 /nfs/dbraw/zinc/48/75/94/544487594.db2.gz VLSIBPCAMXRJJF-FUHWJXTLSA-N 0 3 353.532 2.381 20 30 FEEDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000151619930 544562977 /nfs/dbraw/zinc/56/29/77/544562977.db2.gz GDLMILWLRRQKPE-INIZCTEOSA-N 0 3 366.387 2.320 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCCC[C@H]1CN1CCOCC1 ZINC000247523276 549350003 /nfs/dbraw/zinc/35/00/03/549350003.db2.gz NPQCOVYGDQVUSR-SFTDATJTSA-N 0 3 374.525 2.342 20 30 FEEDHN Cn1cc(CNCCN2CCOC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180172198 327674636 /nfs/dbraw/zinc/67/46/36/327674636.db2.gz NVVYBHSIADEUQT-UHFFFAOYSA-N 0 3 353.470 2.159 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184092019 327850772 /nfs/dbraw/zinc/85/07/72/327850772.db2.gz SDYRJCJBECANIK-UHFFFAOYSA-N 0 3 364.449 2.328 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CNC[C@@H]1COC2(CCOCC2)O1 ZINC000188231882 328074723 /nfs/dbraw/zinc/07/47/23/328074723.db2.gz YYKLTKWJWLLQKO-HXUWFJFHSA-N 0 3 367.449 2.420 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)CN3CCCCC3)CC2)o1 ZINC000189064018 328126487 /nfs/dbraw/zinc/12/64/87/328126487.db2.gz WLYNZFALWQEXBZ-AWEZNQCLSA-N 0 3 359.474 2.062 20 30 FEEDHN CC(C)NS(=O)(=O)Cc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000190871378 328237252 /nfs/dbraw/zinc/23/72/52/328237252.db2.gz HNGYGLWMERZTEI-UHFFFAOYSA-N 0 3 360.483 2.014 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000191248486 328256177 /nfs/dbraw/zinc/25/61/77/328256177.db2.gz IULGTXIBZVZMII-KSSFIOAISA-N 0 3 350.422 2.304 20 30 FEEDHN N#Cc1ccc(Br)c(CN[C@@H](CC(N)=O)C2CCOCC2)c1 ZINC000191825129 328283809 /nfs/dbraw/zinc/28/38/09/328283809.db2.gz PFUFDVRBBMELRM-HNNXBMFYSA-N 0 3 366.259 2.081 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)c3ccnc(C#N)c3)cc2)CC1 ZINC000192705442 328334374 /nfs/dbraw/zinc/33/43/74/328334374.db2.gz OSXGAKLYHGPPRT-UHFFFAOYSA-N 0 3 363.465 2.021 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(F)c1 ZINC000193572558 328382482 /nfs/dbraw/zinc/38/24/82/328382482.db2.gz LQBUDMAYLBQZIG-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N(C)C)nc1 ZINC000195142105 328458032 /nfs/dbraw/zinc/45/80/32/328458032.db2.gz UGSOXFVQHAFSOJ-UHFFFAOYSA-N 0 3 351.454 2.223 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(N(C)C)ccn1 ZINC000195220383 328462846 /nfs/dbraw/zinc/46/28/46/328462846.db2.gz IALZFHSHIPIJER-UHFFFAOYSA-N 0 3 351.454 2.223 20 30 FEEDHN Cc1oc(NC(=O)[C@H](C)N2CCC(CN3CCOCC3)CC2)c(C#N)c1C ZINC000075937857 324910834 /nfs/dbraw/zinc/91/08/34/324910834.db2.gz DWDAEJXIJXFBNC-HNNXBMFYSA-N 0 3 374.485 2.139 20 30 FEEDHN Cc1nc(SCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000080999838 325152815 /nfs/dbraw/zinc/15/28/15/325152815.db2.gz QFYXSCDUJYLCTP-UHFFFAOYSA-N 0 3 372.498 2.057 20 30 FEEDHN Cc1ccccc1CN(C)C(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089942634 325343981 /nfs/dbraw/zinc/34/39/81/325343981.db2.gz UOWATGBEDDEAJL-HNNXBMFYSA-N 0 3 368.485 2.084 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116129024 325994403 /nfs/dbraw/zinc/99/44/03/325994403.db2.gz WRZZBZROLGEJIP-KRWDZBQOSA-N 0 3 360.502 2.279 20 30 FEEDHN N#Cc1ccc(OCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866574 326109672 /nfs/dbraw/zinc/10/96/72/326109672.db2.gz ADMRUAZNKIHMGF-OAHLLOKOSA-N 0 3 353.382 2.427 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(N2CCCCC2=O)CC1 ZINC000120369200 326253183 /nfs/dbraw/zinc/25/31/83/326253183.db2.gz CQLWKRCMNIDBMO-UHFFFAOYSA-N 0 3 360.483 2.425 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000120748449 326284450 /nfs/dbraw/zinc/28/44/50/326284450.db2.gz FUCOWQPIIGKWPQ-GASCZTMLSA-N 0 3 367.490 2.485 20 30 FEEDHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000121263594 326325751 /nfs/dbraw/zinc/32/57/51/326325751.db2.gz SDGHCTRBKILDNC-UHFFFAOYSA-N 0 3 356.470 2.467 20 30 FEEDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000173831734 327287372 /nfs/dbraw/zinc/28/73/72/327287372.db2.gz XQYLXUVOCQYPMR-UONOGXRCSA-N 0 3 353.875 2.459 20 30 FEEDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000173831044 327287536 /nfs/dbraw/zinc/28/75/36/327287536.db2.gz ORXJOHKHOOGZCY-ZIAGYGMSSA-N 0 3 353.875 2.459 20 30 FEEDHN COc1ccc(CNCC[C@](O)(c2nccn2C)C(F)(F)F)cc1C#N ZINC000174298676 327318195 /nfs/dbraw/zinc/31/81/95/327318195.db2.gz YNSGHMHZROYZKD-INIZCTEOSA-N 0 3 368.359 2.230 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000265884917 329169464 /nfs/dbraw/zinc/16/94/64/329169464.db2.gz ZQUZPUGLGUZAOD-KRWDZBQOSA-N 0 3 357.454 2.184 20 30 FEEDHN CC(C)OC(=O)[C@@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000266747590 329255647 /nfs/dbraw/zinc/25/56/47/329255647.db2.gz DAAFQQKEJDAXBR-INIZCTEOSA-N 0 3 374.485 2.219 20 30 FEEDHN CCc1nnc(C)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000273753090 329889001 /nfs/dbraw/zinc/88/90/01/329889001.db2.gz XGGBBXAQKWNNMS-UHFFFAOYSA-N 0 3 351.454 2.423 20 30 FEEDHN COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000274138865 329919349 /nfs/dbraw/zinc/91/93/49/329919349.db2.gz WYKSTPROQVHJTC-KURKYZTESA-N 0 3 359.495 2.284 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1C#N ZINC000276215886 330130095 /nfs/dbraw/zinc/13/00/95/330130095.db2.gz WQSAVSHVLCCALW-AWEZNQCLSA-N 0 3 370.453 2.051 20 30 FEEDHN C#CCNc1nc(NC[C@H]2CCSC2)nc(NC[C@@H]2CCSC2)n1 ZINC000804677104 674296750 /nfs/dbraw/zinc/29/67/50/674296750.db2.gz JEXYTPTUWOEYKS-BETUJISGSA-N 0 3 364.544 2.247 20 30 FEEDHN C#C[C@H](NC(=O)N[C@H]1CCN(CCOC)C1)c1ccc(Cl)cc1F ZINC000805136221 674321885 /nfs/dbraw/zinc/32/18/85/674321885.db2.gz AWQYRMQCQOCMKJ-BBRMVZONSA-N 0 3 353.825 2.173 20 30 FEEDHN CS(=O)(=O)NCC[C@@H]1CCCCN1CCCOc1cccc(C#N)c1 ZINC000155620191 545549853 /nfs/dbraw/zinc/54/98/53/545549853.db2.gz BQJWXHISAQPIKI-KRWDZBQOSA-N 0 3 365.499 2.121 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NCC2CCN(CCO)CC2)cc1C#N ZINC000157910033 545798722 /nfs/dbraw/zinc/79/87/22/545798722.db2.gz IIMWDOGKLXWNKI-UHFFFAOYSA-N 0 3 360.458 2.171 20 30 FEEDHN N#Cc1ccccc1OCC(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000158334877 545850185 /nfs/dbraw/zinc/85/01/85/545850185.db2.gz IMNANKJPNGFRBP-GOSISDBHSA-N 0 3 357.454 2.040 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)N3CCC[C@H](C)C3)cc2C1=O ZINC000478528568 561168894 /nfs/dbraw/zinc/16/88/94/561168894.db2.gz JXIAHUZXQVKZCO-GJZGRUSLSA-N 0 3 369.465 2.319 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)cc1C#N ZINC000160187372 546015779 /nfs/dbraw/zinc/01/57/79/546015779.db2.gz UQCMJRZCRCZOTJ-OAHLLOKOSA-N 0 3 372.469 2.275 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CCOC)[C@@H](CCC)C2)CC1 ZINC000161763053 546134144 /nfs/dbraw/zinc/13/41/44/546134144.db2.gz TWRJRKGKRLEQAU-IBGZPJMESA-N 0 3 366.550 2.169 20 30 FEEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CC1 ZINC000165785857 546153451 /nfs/dbraw/zinc/15/34/51/546153451.db2.gz FLRCPENCNDSXAZ-GOSISDBHSA-N 0 3 361.511 2.464 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000171720195 546221028 /nfs/dbraw/zinc/22/10/28/546221028.db2.gz YMMNQLWEGFQTTL-GOSISDBHSA-N 0 3 356.470 2.450 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000171739269 546222728 /nfs/dbraw/zinc/22/27/28/546222728.db2.gz CUKAZFJVKPVRFG-INIZCTEOSA-N 0 3 364.534 2.219 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)CC1 ZINC000171741974 546222740 /nfs/dbraw/zinc/22/27/40/546222740.db2.gz APVIWSJFTAGBLW-IRXDYDNUSA-N 0 3 364.534 2.363 20 30 FEEDHN CN1CCC2(CC1)C[C@H](NS(=O)(=O)CCCC#N)c1ccccc1O2 ZINC000171979898 546233160 /nfs/dbraw/zinc/23/31/60/546233160.db2.gz GRGFOPOZDHPMNF-INIZCTEOSA-N 0 3 363.483 2.198 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1 ZINC000173196936 546275916 /nfs/dbraw/zinc/27/59/16/546275916.db2.gz JDOQRMDLNJEYFF-QAPCUYQASA-N 0 3 356.470 2.130 20 30 FEEDHN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC#N)cc1 ZINC000174045090 546289880 /nfs/dbraw/zinc/28/98/80/546289880.db2.gz OZTHLSUPRDFOCR-YOEHRIQHSA-N 0 3 353.426 2.169 20 30 FEEDHN COc1ccc(C(=O)NCCN2CCN(CC(C)(C)CCC#N)CC2)cc1 ZINC000174414823 546295690 /nfs/dbraw/zinc/29/56/90/546295690.db2.gz UOZBCAPQVOCACC-UHFFFAOYSA-N 0 3 372.513 2.373 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1Cc1ccccc1 ZINC000174430845 546296458 /nfs/dbraw/zinc/29/64/58/546296458.db2.gz YRCYEDCWTWCRNB-UTKZUKDTSA-N 0 3 354.498 2.391 20 30 FEEDHN CO/N=C(/C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccco1 ZINC000174645522 546301912 /nfs/dbraw/zinc/30/19/12/546301912.db2.gz XAAKIUMJLKHFLZ-DYTRJAOYSA-N 0 3 354.410 2.092 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3ccn(C)c3c2)CC1 ZINC000174843984 546304499 /nfs/dbraw/zinc/30/44/99/546304499.db2.gz FGKZRLBSLMANHV-UHFFFAOYSA-N 0 3 354.454 2.274 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000175588288 546315867 /nfs/dbraw/zinc/31/58/67/546315867.db2.gz UWGZSXHHBXNGKH-LJQANCHMSA-N 0 3 369.481 2.492 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccnn1C(C)C)C(C)C ZINC000175846704 546361430 /nfs/dbraw/zinc/36/14/30/546361430.db2.gz WDCJDFPGKZLJJC-MRXNPFEDSA-N 0 3 361.490 2.217 20 30 FEEDHN C=CCN(Cc1ccccc1F)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000480642777 561213525 /nfs/dbraw/zinc/21/35/25/561213525.db2.gz GLSWOMDTKDOMLD-AWEZNQCLSA-N 0 3 369.458 2.323 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1COCCN1C1CCCC1)C(C)C ZINC000480948464 561220942 /nfs/dbraw/zinc/22/09/42/561220942.db2.gz AXNCVMDIWXXOPJ-VQTJNVASSA-N 0 3 363.546 2.445 20 30 FEEDHN CCc1nnc(N2CCN(c3ccncc3OC)CC2)c(C#N)c1CC ZINC000481045100 561223706 /nfs/dbraw/zinc/22/37/06/561223706.db2.gz WHCXVJXOJFNFFX-UHFFFAOYSA-N 0 3 352.442 2.203 20 30 FEEDHN CC[C@@H]1Oc2cc([C@@H](C)NCCC(=O)N(C)CCC#N)ccc2NC1=O ZINC000180029310 547040886 /nfs/dbraw/zinc/04/08/86/547040886.db2.gz DHHXINYMWPZXDY-CJNGLKHVSA-N 0 3 358.442 2.209 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(N(C)C)c2C)CC1 ZINC000180552831 547129010 /nfs/dbraw/zinc/12/90/10/547129010.db2.gz UHCKYQSQMGWBRR-UHFFFAOYSA-N 0 3 358.486 2.156 20 30 FEEDHN C[C@@H]1OCC[C@@H]1N(CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000483315389 561273949 /nfs/dbraw/zinc/27/39/49/561273949.db2.gz OYDAWPSSFYRJCP-LRDDRELGSA-N 0 3 351.834 2.012 20 30 FEEDHN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)N(C)C ZINC000181822524 547386880 /nfs/dbraw/zinc/38/68/80/547386880.db2.gz CFIDYLHPNSLOJQ-RHSMWYFYSA-N 0 3 374.485 2.399 20 30 FEEDHN CC[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(OC)cc1 ZINC000181822574 547387254 /nfs/dbraw/zinc/38/72/54/547387254.db2.gz CBUOORHVARGKOP-PMACEKPBSA-N 0 3 372.513 2.428 20 30 FEEDHN C=CC[C@@H](CO)NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000183253034 547627768 /nfs/dbraw/zinc/62/77/68/547627768.db2.gz DSQVRLSKVMTQLQ-SFHVURJKSA-N 0 3 361.486 2.143 20 30 FEEDHN CO/N=C/c1ccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 ZINC000183783559 547718660 /nfs/dbraw/zinc/71/86/60/547718660.db2.gz QTHKXLDENVRYEU-NVAXRVGSSA-N 0 3 367.449 2.164 20 30 FEEDHN CN(C)[C@@H](CNC(=O)CN(CCC#N)Cc1ccccn1)c1ccccc1 ZINC000184978721 547911182 /nfs/dbraw/zinc/91/11/82/547911182.db2.gz KGTKGLUTGDEPMX-FQEVSTJZSA-N 0 3 365.481 2.216 20 30 FEEDHN C=CCOc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1OC ZINC000185308054 547967331 /nfs/dbraw/zinc/96/73/31/547967331.db2.gz SYNXYJJHCOHBPY-MRXNPFEDSA-N 0 3 361.486 2.016 20 30 FEEDHN CCCCN1CCC(NS(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000185498565 547992914 /nfs/dbraw/zinc/99/29/14/547992914.db2.gz MXBBOFHAWAZXCA-UHFFFAOYSA-N 0 3 351.472 2.110 20 30 FEEDHN C[C@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000485699975 561326213 /nfs/dbraw/zinc/32/62/13/561326213.db2.gz XYQZTDLKYKOHQU-PXNSSMCTSA-N 0 3 366.509 2.074 20 30 FEEDHN N#C[C@@H]1CN(C(=O)C2CCN(C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192552826 548366256 /nfs/dbraw/zinc/36/62/56/548366256.db2.gz JVCGLWCZWQXHSV-HXUWFJFHSA-N 0 3 352.482 2.097 20 30 FEEDHN C=CCN(CCc1ccccc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000195195823 548594601 /nfs/dbraw/zinc/59/46/01/548594601.db2.gz QPBZBIOIULTXLB-GOSISDBHSA-N 0 3 364.445 2.374 20 30 FEEDHN COc1cc(CNC(=O)c2ccc(C#N)s2)ccc1OCCN(C)C ZINC000487251191 561366793 /nfs/dbraw/zinc/36/67/93/561366793.db2.gz FUSWFAZVCFJTQS-UHFFFAOYSA-N 0 3 359.451 2.499 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000245997810 549033835 /nfs/dbraw/zinc/03/38/35/549033835.db2.gz ISJMWIRWMQGQQA-SFTDATJTSA-N 0 3 368.525 2.243 20 30 FEEDHN CCSCC[C@H](C)N(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000246082356 549047662 /nfs/dbraw/zinc/04/76/62/549047662.db2.gz MYCPPHBSHOYCAQ-DLBZAZTESA-N 0 3 354.564 2.142 20 30 FEEDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000246498411 549147334 /nfs/dbraw/zinc/14/73/34/549147334.db2.gz XQYLXUVOCQYPMR-KBPBESRZSA-N 0 3 353.875 2.459 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000488670192 561394236 /nfs/dbraw/zinc/39/42/36/561394236.db2.gz ACKNWRZPFFJRIM-GHTZIAJQSA-N 0 3 374.525 2.340 20 30 FEEDHN COc1cc(C)cnc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000489156368 561404555 /nfs/dbraw/zinc/40/45/55/561404555.db2.gz ISMAVBBEQNZHME-UHFFFAOYSA-N 0 3 352.438 2.474 20 30 FEEDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000248505426 549451515 /nfs/dbraw/zinc/45/15/15/549451515.db2.gz WNVNJCFBSOWCFC-ZFWWWQNUSA-N 0 3 353.875 2.316 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)CN3CCC[C@@H](C)C3)CC2)o1 ZINC000248959554 549532342 /nfs/dbraw/zinc/53/23/42/549532342.db2.gz PHMBWMQRTNROTR-CABCVRRESA-N 0 3 373.501 2.308 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489589208 561414920 /nfs/dbraw/zinc/41/49/20/561414920.db2.gz UJDACQCFHXWURA-MGPQQGTHSA-N 0 3 353.463 2.342 20 30 FEEDHN CC(C)CN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489717170 561417718 /nfs/dbraw/zinc/41/77/18/561417718.db2.gz ISMFQERIWHYVPN-CQSZACIVSA-N 0 3 353.463 2.344 20 30 FEEDHN Cc1cc(C)c(C#N)c(NCc2cccc(C(=O)NCCN(C)C)c2)n1 ZINC000263883719 549950886 /nfs/dbraw/zinc/95/08/86/549950886.db2.gz QXXIHLYCACFIBV-UHFFFAOYSA-N 0 3 351.454 2.474 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCCCN1CCOCC1)C(C)C ZINC000264918127 550003681 /nfs/dbraw/zinc/00/36/81/550003681.db2.gz PCITYZCRTKXJDV-LJQANCHMSA-N 0 3 351.535 2.304 20 30 FEEDHN C#CCCOc1ccc(CNCc2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000264956848 550004346 /nfs/dbraw/zinc/00/43/46/550004346.db2.gz MOJVJYBVAJNZSA-UHFFFAOYSA-N 0 3 368.433 2.251 20 30 FEEDHN CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)N(C)C ZINC000265376733 550009686 /nfs/dbraw/zinc/00/96/86/550009686.db2.gz IHEZEHAYWYINJW-KRWDZBQOSA-N 0 3 360.458 2.010 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000268332346 550050659 /nfs/dbraw/zinc/05/06/59/550050659.db2.gz HMHKVKXYDBXUNI-UHFFFAOYSA-N 0 3 371.481 2.495 20 30 FEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1CNCCO1 ZINC000269220681 550168913 /nfs/dbraw/zinc/16/89/13/550168913.db2.gz JXKMOYPGCIJHPG-AWEZNQCLSA-N 0 3 371.250 2.481 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1cc(Br)cn1)C(C)C ZINC000493094869 561454420 /nfs/dbraw/zinc/45/44/20/561454420.db2.gz BKWUQCYKQRIAPC-OAHLLOKOSA-N 0 3 369.307 2.460 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1 ZINC000270507076 550278630 /nfs/dbraw/zinc/27/86/30/550278630.db2.gz VXVWSCMBYCHMEN-UHFFFAOYSA-N 0 3 353.514 2.437 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN(C)CCOCCCOC)c(OC)c1 ZINC000271553403 550384848 /nfs/dbraw/zinc/38/48/48/550384848.db2.gz YVPSKVVXLGPYFA-SFHVURJKSA-N 0 3 367.486 2.148 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000276375898 550578208 /nfs/dbraw/zinc/57/82/08/550578208.db2.gz HMKMJFQODGUFPB-UHFFFAOYSA-N 0 3 370.497 2.192 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000278085970 550747324 /nfs/dbraw/zinc/74/73/24/550747324.db2.gz XNPZDZQNONYSJC-SFHVURJKSA-N 0 3 374.533 2.037 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000278721360 550814905 /nfs/dbraw/zinc/81/49/05/550814905.db2.gz RUCLRTNBTYAKSY-GOSISDBHSA-N 0 3 370.497 2.118 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](COC)[C@H]1CCCO1 ZINC000278742066 550816873 /nfs/dbraw/zinc/81/68/73/550816873.db2.gz ADJMGIWZCGZTOV-USXIJHARSA-N 0 3 352.500 2.435 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](COC)[C@H]1CCCO1 ZINC000278742056 550816891 /nfs/dbraw/zinc/81/68/91/550816891.db2.gz ADJMGIWZCGZTOV-BHYGNILZSA-N 0 3 352.500 2.435 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000279251052 550869887 /nfs/dbraw/zinc/86/98/87/550869887.db2.gz HBOWCILTGCUGOC-VQTJNVASSA-N 0 3 372.428 2.158 20 30 FEEDHN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280174749 550968211 /nfs/dbraw/zinc/96/82/11/550968211.db2.gz COCBYFRPSDJTLH-DLBZAZTESA-N 0 3 353.422 2.431 20 30 FEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000280667769 551019403 /nfs/dbraw/zinc/01/94/03/551019403.db2.gz VNOXHFNKVVCVLG-PXNSSMCTSA-N 0 3 353.422 2.037 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000280751623 551028201 /nfs/dbraw/zinc/02/82/01/551028201.db2.gz HXOIDUNQRWFOQA-LJQANCHMSA-N 0 3 373.460 2.416 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cnc(C(C)C)nc1)C(C)C ZINC000280837806 551037630 /nfs/dbraw/zinc/03/76/30/551037630.db2.gz WUKHJHNUDLYVNU-KRWDZBQOSA-N 0 3 373.501 2.353 20 30 FEEDHN COCCN(C)CC[C@H](NC(=O)c1cc(C#N)ccn1)c1ccccc1 ZINC000496410676 561493854 /nfs/dbraw/zinc/49/38/54/561493854.db2.gz IWRDLIXFCMWLAR-SFHVURJKSA-N 0 3 352.438 2.393 20 30 FEEDHN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281113284 551064819 /nfs/dbraw/zinc/06/48/19/551064819.db2.gz FDDISNNORKGCPQ-BBRMVZONSA-N 0 3 356.426 2.270 20 30 FEEDHN CN(C)CC1(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCC1 ZINC000281132316 551066980 /nfs/dbraw/zinc/06/69/80/551066980.db2.gz UETFFDRSRPVSMS-UHFFFAOYSA-N 0 3 356.470 2.314 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(c3nccs3)CC2)cc1 ZINC000281211940 551074480 /nfs/dbraw/zinc/07/44/80/551074480.db2.gz JAQNOWHLKPLQSG-INIZCTEOSA-N 0 3 365.462 2.482 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)C1=O ZINC000281262345 551079059 /nfs/dbraw/zinc/07/90/59/551079059.db2.gz GUOLXFXHANIESM-MRXNPFEDSA-N 0 3 355.438 2.353 20 30 FEEDHN CNC(=O)[C@@]1(C)CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000281263561 551079145 /nfs/dbraw/zinc/07/91/45/551079145.db2.gz VOIJGMMUVZZECU-UZLBHIALSA-N 0 3 356.470 2.088 20 30 FEEDHN CCOc1ccnc(N2CCCN(CCCC3(C#N)CCOCC3)CC2)n1 ZINC000282104966 551180909 /nfs/dbraw/zinc/18/09/09/551180909.db2.gz WIIRMPLRPDGIOM-UHFFFAOYSA-N 0 3 373.501 2.488 20 30 FEEDHN CN1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C[C@H]1C#N ZINC000282895306 551282734 /nfs/dbraw/zinc/28/27/34/551282734.db2.gz XOXNMTOBTNPTPD-MOPGFXCFSA-N 0 3 369.513 2.136 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000283850863 551438041 /nfs/dbraw/zinc/43/80/41/551438041.db2.gz HNYVXNPYGUDKMD-QGZVFWFLSA-N 0 3 370.497 2.286 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(CC)Cc1ccccn1)C(C)C ZINC000284057657 551476165 /nfs/dbraw/zinc/47/61/65/551476165.db2.gz NCIRVHKTKSSLMC-LJQANCHMSA-N 0 3 372.513 2.245 20 30 FEEDHN CN(C)C[C@H]1CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285310815 551735844 /nfs/dbraw/zinc/73/58/44/551735844.db2.gz MVOFSMIJGKCZHV-QGZVFWFLSA-N 0 3 358.461 2.466 20 30 FEEDHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000285550148 551773569 /nfs/dbraw/zinc/77/35/69/551773569.db2.gz DWPNOKKENVYDPD-IUODEOHRSA-N 0 3 351.447 2.305 20 30 FEEDHN N#CCC[C@@H](C#N)CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286072021 551845591 /nfs/dbraw/zinc/84/55/91/551845591.db2.gz RXWFGYUZKQCYPQ-LEWJYISDSA-N 0 3 351.498 2.322 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 ZINC000286432385 551884829 /nfs/dbraw/zinc/88/48/29/551884829.db2.gz GLJPEWDRTAXOPD-UHFFFAOYSA-N 0 3 373.472 2.473 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286729903 551919594 /nfs/dbraw/zinc/91/95/94/551919594.db2.gz XQZKZEFRSAOXHL-ZFWWWQNUSA-N 0 3 355.360 2.380 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000286743370 551921013 /nfs/dbraw/zinc/92/10/13/551921013.db2.gz OOAKFMAROVDLDM-IUODEOHRSA-N 0 3 353.875 2.459 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000286754236 551922382 /nfs/dbraw/zinc/92/23/82/551922382.db2.gz SVPYGRURMCVSCQ-MSOLQXFVSA-N 0 3 369.509 2.466 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](c3cccc(C)c3)C2)CC1 ZINC000286799567 551927273 /nfs/dbraw/zinc/92/72/73/551927273.db2.gz UWHOIOFQIKVROR-GOSISDBHSA-N 0 3 355.482 2.078 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@H]2C)CC1 ZINC000286806903 551928005 /nfs/dbraw/zinc/92/80/05/551928005.db2.gz VIRFMUWSXHQANC-MRXNPFEDSA-N 0 3 355.482 2.289 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)CC(C)(C)C)cc1 ZINC000287159864 551970939 /nfs/dbraw/zinc/97/09/39/551970939.db2.gz MRAJOCGIVBSAQY-OCCSQVGLSA-N 0 3 367.471 2.291 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287376964 551996295 /nfs/dbraw/zinc/99/62/95/551996295.db2.gz XNBZVXDVQXQTDJ-CRAIPNDOSA-N 0 3 356.470 2.294 20 30 FEEDHN C=CCCOCCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000287661798 552031710 /nfs/dbraw/zinc/03/17/10/552031710.db2.gz KCIPHWBITUUIJH-UHFFFAOYSA-N 0 3 356.470 2.434 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289120923 552269592 /nfs/dbraw/zinc/26/95/92/552269592.db2.gz QHPUMIQOWMXKEV-GXTWGEPZSA-N 0 3 360.845 2.235 20 30 FEEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000289190548 552279678 /nfs/dbraw/zinc/27/96/78/552279678.db2.gz UDEUVSXPHDTCCC-UHFFFAOYSA-N 0 3 362.861 2.485 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000289721900 552367736 /nfs/dbraw/zinc/36/77/36/552367736.db2.gz PIHSNVYSUJJOMY-KRWDZBQOSA-N 0 3 355.482 2.010 20 30 FEEDHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290229982 552445764 /nfs/dbraw/zinc/44/57/64/552445764.db2.gz KUFJHPGVULIBHU-UHFFFAOYSA-N 0 3 362.449 2.462 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)cc1F ZINC000290357873 552466219 /nfs/dbraw/zinc/46/62/19/552466219.db2.gz ZCIQPMAMSYTXEA-INIZCTEOSA-N 0 3 358.417 2.113 20 30 FEEDHN C=C[C@](C)(O)CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000290632400 552509845 /nfs/dbraw/zinc/50/98/45/552509845.db2.gz YUAJZYRUZGFRPE-IBGZPJMESA-N 0 3 350.434 2.112 20 30 FEEDHN CC(C)OCc1nc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)no1 ZINC000291189063 552597924 /nfs/dbraw/zinc/59/79/24/552597924.db2.gz ISCLUZGWSNHVAR-BBRMVZONSA-N 0 3 367.409 2.426 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](n3cccn3)C2)cc1 ZINC000291207548 552600301 /nfs/dbraw/zinc/60/03/01/552600301.db2.gz AZMCBCBRSLYOFB-HIFRSBDPSA-N 0 3 373.438 2.048 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(COCCOC)cc2)CC1 ZINC000291309473 552613053 /nfs/dbraw/zinc/61/30/53/552613053.db2.gz SUMKPWMSRJLGPY-UHFFFAOYSA-N 0 3 361.486 2.299 20 30 FEEDHN C#CCNC(=O)CCN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000292668469 552748121 /nfs/dbraw/zinc/74/81/21/552748121.db2.gz AXCQMUZSCKXXBD-HNNXBMFYSA-N 0 3 356.401 2.195 20 30 FEEDHN C[C@@](C#N)(NC(=O)CNC1(Cc2cccc(F)c2)CCOCC1)C1CC1 ZINC000292948213 552773751 /nfs/dbraw/zinc/77/37/51/552773751.db2.gz IMMSANNTVUUUQO-IBGZPJMESA-N 0 3 359.445 2.315 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000293232278 552801594 /nfs/dbraw/zinc/80/15/94/552801594.db2.gz CJVNRPXQLQBFRC-UHFFFAOYSA-N 0 3 362.499 2.201 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000293434310 552823117 /nfs/dbraw/zinc/82/31/17/552823117.db2.gz UOWATTJRCSRGJR-HXUWFJFHSA-N 0 3 366.461 2.324 20 30 FEEDHN C=CCOc1ccc(CC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000294971879 552948260 /nfs/dbraw/zinc/94/82/60/552948260.db2.gz QQTPMVXDFKFMQF-HXUWFJFHSA-N 0 3 359.514 2.182 20 30 FEEDHN C#CCO[C@@H](C)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000295413739 553002542 /nfs/dbraw/zinc/00/25/42/553002542.db2.gz DIKJFUVYADKMJB-WMZOPIPTSA-N 0 3 352.438 2.307 20 30 FEEDHN C=CCc1cc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc(OC)c1OC ZINC000295581071 553028216 /nfs/dbraw/zinc/02/82/16/553028216.db2.gz VRRPFZAXDUHTFR-QGZVFWFLSA-N 0 3 362.470 2.009 20 30 FEEDHN C[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000296040919 553094681 /nfs/dbraw/zinc/09/46/81/553094681.db2.gz SQRQEDLETJZDLH-AWEZNQCLSA-N 0 3 353.463 2.381 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000296471246 553165408 /nfs/dbraw/zinc/16/54/08/553165408.db2.gz VZNGNMAYHFUZIN-AWEZNQCLSA-N 0 3 363.458 2.028 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000296472406 553166009 /nfs/dbraw/zinc/16/60/09/553166009.db2.gz WJZUJTZKCFFXAS-UHFFFAOYSA-N 0 3 361.461 2.128 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000296489915 553168660 /nfs/dbraw/zinc/16/86/60/553168660.db2.gz NOSSQTHNBCHZAQ-INIZCTEOSA-N 0 3 360.458 2.314 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000502835793 561627106 /nfs/dbraw/zinc/62/71/06/561627106.db2.gz HMZASVBZGJGIOR-HZPDHXFCSA-N 0 3 362.861 2.091 20 30 FEEDHN CN(CCCOc1cccc(C#N)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296817495 553215647 /nfs/dbraw/zinc/21/56/47/553215647.db2.gz RRVYQBYIBCILKY-MRXNPFEDSA-N 0 3 363.458 2.145 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000296928713 553231076 /nfs/dbraw/zinc/23/10/76/553231076.db2.gz OSBVTCSENJTRKP-UHFFFAOYSA-N 0 3 359.445 2.385 20 30 FEEDHN COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCO1 ZINC000298448450 553425921 /nfs/dbraw/zinc/42/59/21/553425921.db2.gz HHQNRSDKBIIPQR-GJZGRUSLSA-N 0 3 363.483 2.221 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000299162481 553523458 /nfs/dbraw/zinc/52/34/58/553523458.db2.gz RTDGRJJFOHXGJX-UHFFFAOYSA-N 0 3 365.433 2.493 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)N1CCCC1 ZINC000555822358 674377701 /nfs/dbraw/zinc/37/77/01/674377701.db2.gz VSLNFXNUKQDPGU-GFCCVEGCSA-N 0 3 362.499 2.456 20 30 FEEDHN C=CC[C@@H](CO)CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000505379596 561670237 /nfs/dbraw/zinc/67/02/37/561670237.db2.gz LSOMKWUDSVMSLW-QGZVFWFLSA-N 0 3 361.486 2.143 20 30 FEEDHN CCn1ncc2cc(C(=O)NC[C@H](C)N3CCN(CC)CC3)c(C)nc21 ZINC000328732503 553814173 /nfs/dbraw/zinc/81/41/73/553814173.db2.gz XMVRNPIJATZUJB-AWEZNQCLSA-N 0 3 358.490 2.090 20 30 FEEDHN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328830197 553829704 /nfs/dbraw/zinc/82/97/04/553829704.db2.gz RALAELKEMZXEDH-XBVQOTNRSA-N 0 3 367.490 2.440 20 30 FEEDHN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328830198 553829754 /nfs/dbraw/zinc/82/97/54/553829754.db2.gz RALAELKEMZXEDH-XLNGHYISSA-N 0 3 367.490 2.440 20 30 FEEDHN CN1CCC2(CC1)C[C@H](NC(=O)[C@@H]1COCCN1C)c1ccccc1O2 ZINC000328946504 553850912 /nfs/dbraw/zinc/85/09/12/553850912.db2.gz JYWAVFTUFAHFFA-IRXDYDNUSA-N 0 3 359.470 2.262 20 30 FEEDHN CN1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](c2ccccc2)C1 ZINC000328996857 553861696 /nfs/dbraw/zinc/86/16/96/553861696.db2.gz FSLUBRLWDBTRML-KFWWJZLASA-N 0 3 369.387 2.452 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000328997165 553861700 /nfs/dbraw/zinc/86/17/00/553861700.db2.gz KBXBCXPKMLLMTJ-FUHWJXTLSA-N 0 3 364.534 2.293 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000329066220 553874730 /nfs/dbraw/zinc/87/47/30/553874730.db2.gz WMHIYEARLXDDMZ-NTDBWNAOSA-N 0 3 353.507 2.027 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC2CCC(NC(C)=O)CC2)C1 ZINC000329152261 553890278 /nfs/dbraw/zinc/89/02/78/553890278.db2.gz AOKHNRVRWKBCIG-FOIPXRHGSA-N 0 3 366.506 2.373 20 30 FEEDHN CC(C)N1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329196277 553899855 /nfs/dbraw/zinc/89/98/55/553899855.db2.gz VSLNMCICNFOHAC-MRXNPFEDSA-N 0 3 350.507 2.250 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)[C@H]2C1 ZINC000329242003 553909540 /nfs/dbraw/zinc/90/95/40/553909540.db2.gz AAEHXXAUPFOYNR-APWZRJJASA-N 0 3 370.497 2.497 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000329325898 553926006 /nfs/dbraw/zinc/92/60/06/553926006.db2.gz WHVXLKZPEWNABO-FQBWVUSXSA-N 0 3 367.534 2.273 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000329362046 553932731 /nfs/dbraw/zinc/93/27/31/553932731.db2.gz CSUSBXOZXSRFGL-KRWDZBQOSA-N 0 3 360.506 2.004 20 30 FEEDHN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000329369244 553933852 /nfs/dbraw/zinc/93/38/52/553933852.db2.gz JKXNKILWBUCVFC-FJIDUMEYSA-N 0 3 364.534 2.496 20 30 FEEDHN O=C(NC[C@H]1CCCCS1(=O)=O)NC1CCN(C2CCCCC2)CC1 ZINC000329629037 553979503 /nfs/dbraw/zinc/97/95/03/553979503.db2.gz HLGGMLCTMIQTLY-QGZVFWFLSA-N 0 3 371.547 2.254 20 30 FEEDHN Cc1cccc2c1OC[C@@H](NC(=O)N1CCN(CC3CCOCC3)CC1)C2 ZINC000329628942 553979678 /nfs/dbraw/zinc/97/96/78/553979678.db2.gz QBYFZEJDMQDIRG-IBGZPJMESA-N 0 3 373.497 2.257 20 30 FEEDHN Cc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)c(-n2cc(Cl)cn2)n1 ZINC000329837531 554015581 /nfs/dbraw/zinc/01/55/81/554015581.db2.gz MWGMFGFQADZGJK-OAHLLOKOSA-N 0 3 374.876 2.469 20 30 FEEDHN Cc1ncsc1CNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000329850115 554018498 /nfs/dbraw/zinc/01/84/98/554018498.db2.gz QDQKKQCLIRBDBT-UHFFFAOYSA-N 0 3 365.547 2.215 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)CN2CCc3ccccc3C2=O)CC1 ZINC000329863049 554020936 /nfs/dbraw/zinc/02/09/36/554020936.db2.gz ROLZCFCPZBYQIB-UHFFFAOYSA-N 0 3 372.513 2.058 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N(CC)[C@@H]2c2cnn(C)c2)C1 ZINC000329873083 554023043 /nfs/dbraw/zinc/02/30/43/554023043.db2.gz DMPKYIDBFAQTNC-LZLYRXPVSA-N 0 3 361.490 2.161 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000329918231 554031616 /nfs/dbraw/zinc/03/16/16/554031616.db2.gz ZRYDIMLODUMUPF-RKVPGOIHSA-N 0 3 361.490 2.079 20 30 FEEDHN NC(=O)NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000329983854 554043782 /nfs/dbraw/zinc/04/37/82/554043782.db2.gz PYJRAVUIJGXSNL-ROUUACIJSA-N 0 3 373.501 2.217 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)CC1 ZINC000330005431 554048042 /nfs/dbraw/zinc/04/80/42/554048042.db2.gz BYTUOVMLHIOUBY-WBVHZDCISA-N 0 3 360.458 2.091 20 30 FEEDHN CC(C(=O)NCC(C)(C)N1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000330068729 554058630 /nfs/dbraw/zinc/05/86/30/554058630.db2.gz GOVBIYKFMMMFRS-CABCVRRESA-N 0 3 374.547 2.436 20 30 FEEDHN Cn1cc([C@@H]2[C@H](C(=O)N[C@@H]3CCN(C4CC4)C3)CC(=O)N2C(C)(C)C)cn1 ZINC000330105512 554065113 /nfs/dbraw/zinc/06/51/13/554065113.db2.gz JNULCPRMWRRMMV-QGPMSJSTSA-N 0 3 373.501 2.301 20 30 FEEDHN Cn1cc([C@@H]2CSCCN2CC(=O)NC2CCN(C3CC3)CC2)cn1 ZINC000330123359 554069033 /nfs/dbraw/zinc/06/90/33/554069033.db2.gz KWARKTXFXDZCLN-KRWDZBQOSA-N 0 3 363.531 2.093 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000330333242 554106954 /nfs/dbraw/zinc/10/69/54/554106954.db2.gz PQHKAYZHJUBAQL-BQFCYCMXSA-N 0 3 363.506 2.245 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC000330378697 554113484 /nfs/dbraw/zinc/11/34/84/554113484.db2.gz ROVOLGHFOFBAGD-BZUAXINKSA-N 0 3 358.552 2.059 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC(C)(C)[C@H]2C)cc1 ZINC000330736629 554164726 /nfs/dbraw/zinc/16/47/26/554164726.db2.gz MJMPUBGHKAGAMI-QWHCGFSZSA-N 0 3 365.455 2.404 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000330898562 554185069 /nfs/dbraw/zinc/18/50/69/554185069.db2.gz UZHANAMUAWHXDB-AWEZNQCLSA-N 0 3 367.515 2.439 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)CC1CCCC1 ZINC000508735018 561770880 /nfs/dbraw/zinc/77/08/80/561770880.db2.gz CPXFFVXJDAFLFR-UHFFFAOYSA-N 0 3 370.497 2.145 20 30 FEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000508746058 561771514 /nfs/dbraw/zinc/77/15/14/561771514.db2.gz JEFUKACBMKUVEB-MRXNPFEDSA-N 0 3 358.490 2.396 20 30 FEEDHN N#CCN1CCC(CNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000331975988 554356026 /nfs/dbraw/zinc/35/60/26/554356026.db2.gz MPMADCXDCVTDMG-UHFFFAOYSA-N 0 3 354.498 2.250 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000348582656 554689909 /nfs/dbraw/zinc/68/99/09/554689909.db2.gz FIMBHIGQDCUEJD-RYQLBKOJSA-N 0 3 357.454 2.020 20 30 FEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000361285610 554914643 /nfs/dbraw/zinc/91/46/43/554914643.db2.gz AQMGDKMMPNFDOT-ROUUACIJSA-N 0 3 374.441 2.156 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000361904447 554937528 /nfs/dbraw/zinc/93/75/28/554937528.db2.gz ACDFCIWXIAMFEG-IAGOWNOFSA-N 0 3 357.454 2.278 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511630231 561875280 /nfs/dbraw/zinc/87/52/80/561875280.db2.gz RZAMGLQIGXBBMQ-UKRRQHHQSA-N 0 3 355.360 2.380 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000362710092 554983197 /nfs/dbraw/zinc/98/31/97/554983197.db2.gz HXHJZUFAOGDMTB-APWZRJJASA-N 0 3 356.470 2.373 20 30 FEEDHN CC(C)CN1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000363000694 555007574 /nfs/dbraw/zinc/00/75/74/555007574.db2.gz PKKNQBORHRMMSL-UHFFFAOYSA-N 0 3 362.861 2.340 20 30 FEEDHN N#Cc1ccc(OCCCN2CCC(CC(=O)N3CCOCC3)CC2)cc1 ZINC000363161299 555043096 /nfs/dbraw/zinc/04/30/96/555043096.db2.gz SNHXSMOHYKSASC-UHFFFAOYSA-N 0 3 371.481 2.288 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCN3CCCCC3)C2)n1 ZINC000363327259 555078801 /nfs/dbraw/zinc/07/88/01/555078801.db2.gz LWNUGZHMSFPKBM-SFHVURJKSA-N 0 3 355.486 2.080 20 30 FEEDHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000363425715 555102773 /nfs/dbraw/zinc/10/27/73/555102773.db2.gz GIEWGFVWAYFDBU-NRFANRHFSA-N 0 3 362.477 2.381 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C)CN3CCCCC3)C2)n1 ZINC000363426167 555102978 /nfs/dbraw/zinc/10/29/78/555102978.db2.gz LHBCOWBWPUVEMF-HKUYNNGSSA-N 0 3 369.513 2.469 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccnc(-n3ccnc3)c2)CC1 ZINC000363492605 555119415 /nfs/dbraw/zinc/11/94/15/555119415.db2.gz FUCDCTWCUOXGCC-UHFFFAOYSA-N 0 3 354.458 2.107 20 30 FEEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)nc1 ZINC000363584797 555141709 /nfs/dbraw/zinc/14/17/09/555141709.db2.gz CMMVXQHXPMUREO-BPQIPLTHSA-N 0 3 358.486 2.299 20 30 FEEDHN N#Cc1ccc(-n2ccc(NC(=O)NC3CCN(C4CC4)CC3)n2)c(F)c1 ZINC000363708776 555168719 /nfs/dbraw/zinc/16/87/19/555168719.db2.gz JCKZTGFAHLMRDD-UHFFFAOYSA-N 0 3 368.416 2.631 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000364193046 555267014 /nfs/dbraw/zinc/26/70/14/555267014.db2.gz VGIZNSQQKLGPHU-ZDUSSCGKSA-N 0 3 363.408 2.084 20 30 FEEDHN C=CCN(C(=O)N[C@H](C)Cn1cncn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364294199 555286198 /nfs/dbraw/zinc/28/61/98/555286198.db2.gz TXTBQYWDCROSPY-MJGOQNOKSA-N 0 3 368.485 2.139 20 30 FEEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCN(c2ncccn2)CC1 ZINC000364373224 555301227 /nfs/dbraw/zinc/30/12/27/555301227.db2.gz GMKUXMQSANMUKE-UHFFFAOYSA-N 0 3 370.501 2.062 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000364429233 555312288 /nfs/dbraw/zinc/31/22/88/555312288.db2.gz XJJCCRSOVHQYAE-UZLBHIALSA-N 0 3 367.497 2.263 20 30 FEEDHN CO/N=C/c1ccc(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000364544616 555333904 /nfs/dbraw/zinc/33/39/04/555333904.db2.gz LHHYROFJVRJYSL-DDTNEUBSSA-N 0 3 359.470 2.286 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COCc1cccnc1 ZINC000512494238 561907498 /nfs/dbraw/zinc/90/74/98/561907498.db2.gz OCLCUMBXGSIBAW-UHFFFAOYSA-N 0 3 352.438 2.060 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000364711912 555382460 /nfs/dbraw/zinc/38/24/60/555382460.db2.gz CPUNHXJFXWCHGC-ICSRJNTNSA-N 0 3 371.529 2.414 20 30 FEEDHN C=CCNC(=O)NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000364872778 555421661 /nfs/dbraw/zinc/42/16/61/555421661.db2.gz NNXVWFNOEFUXHL-CZUORRHYSA-N 0 3 351.834 2.019 20 30 FEEDHN N#Cc1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000364880462 555423585 /nfs/dbraw/zinc/42/35/85/555423585.db2.gz LQVNSSZKGSPKND-IRXDYDNUSA-N 0 3 364.287 2.352 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000364913815 555436140 /nfs/dbraw/zinc/43/61/40/555436140.db2.gz MMPGKQBSFOTPRC-IAGOWNOFSA-N 0 3 359.426 2.121 20 30 FEEDHN C=CCN(C(=O)NCCC(=O)NC(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364919551 555437541 /nfs/dbraw/zinc/43/75/41/555437541.db2.gz RYQFAWWTUXUOLW-LJQANCHMSA-N 0 3 372.513 2.373 20 30 FEEDHN C=CCOc1ccc(CNC[C@H]2CCCCN2S(C)(=O)=O)cc1OC ZINC000513030895 561923133 /nfs/dbraw/zinc/92/31/33/561923133.db2.gz BFIQDVZVBBUSAH-MRXNPFEDSA-N 0 3 368.499 2.164 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000365324434 555543162 /nfs/dbraw/zinc/54/31/62/555543162.db2.gz OBGWHNSOARQGHN-KRWDZBQOSA-N 0 3 363.396 2.123 20 30 FEEDHN CN1CCN(C2(CNC(=O)c3ccc(C#N)nc3)CCCCCC2)CC1 ZINC000365341230 555548245 /nfs/dbraw/zinc/54/82/45/555548245.db2.gz QCWDIJVLCFLFJC-UHFFFAOYSA-N 0 3 355.486 2.023 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCC[C@H]3CN(C)C)C2)n1 ZINC000365755825 555660533 /nfs/dbraw/zinc/66/05/33/555660533.db2.gz ZDPJQYPTNRXLLX-OALUTQOASA-N 0 3 369.513 2.421 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000366003224 555723841 /nfs/dbraw/zinc/72/38/41/555723841.db2.gz XMZMIEIRUHJYJQ-CXAGYDPISA-N 0 3 363.439 2.017 20 30 FEEDHN N#Cc1cc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)ccc1F ZINC000513691001 561946779 /nfs/dbraw/zinc/94/67/79/561946779.db2.gz PPAIBUOHGNDCGM-HXUWFJFHSA-N 0 3 353.397 2.064 20 30 FEEDHN CCc1nnc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000366239527 555789728 /nfs/dbraw/zinc/78/97/28/555789728.db2.gz FHUYDPXBVSJLOZ-KRWDZBQOSA-N 0 3 362.437 2.327 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)O[C@]3(CCCOC3)C2)CC1 ZINC000366581602 555882274 /nfs/dbraw/zinc/88/22/74/555882274.db2.gz ZTPFVTWYHIJKHF-LJQANCHMSA-N 0 3 351.491 2.006 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000367580262 556088726 /nfs/dbraw/zinc/08/87/26/556088726.db2.gz AKLRYRSVXNYCPS-INIZCTEOSA-N 0 3 361.490 2.169 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000367851262 556155088 /nfs/dbraw/zinc/15/50/88/556155088.db2.gz XXWBGVNIRPUUTJ-FQEVSTJZSA-N 0 3 369.490 2.500 20 30 FEEDHN CC[C@H](CC#N)NC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000368136757 556227550 /nfs/dbraw/zinc/22/75/50/556227550.db2.gz XWRAFQXOILILDE-CQSZACIVSA-N 0 3 351.472 2.130 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000368588666 556354265 /nfs/dbraw/zinc/35/42/65/556354265.db2.gz GTYOYNBGAGDOMC-PKOBYXMFSA-N 0 3 368.481 2.266 20 30 FEEDHN C[C@H](N[C@@H]1CCCC[C@H]1N1CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000368949970 556456992 /nfs/dbraw/zinc/45/69/92/556456992.db2.gz KVIOUKZVWGQHKL-KFKAGJAMSA-N 0 3 356.470 2.118 20 30 FEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCN(c2ncccn2)CC1 ZINC000369302768 556568576 /nfs/dbraw/zinc/56/85/76/556568576.db2.gz MACMKUBOXIJPDR-SFHVURJKSA-N 0 3 374.448 2.158 20 30 FEEDHN COc1ccc([C@H](CCC#N)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000369322329 556574491 /nfs/dbraw/zinc/57/44/91/556574491.db2.gz QRUHYAFLZOFPFS-KNBMTAEXSA-N 0 3 370.453 2.350 20 30 FEEDHN CN1CC[C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1cccc(Cl)c1 ZINC000369403174 556592480 /nfs/dbraw/zinc/59/24/80/556592480.db2.gz UNMNSGRFKPLFNM-PVAVHDDUSA-N 0 3 362.861 2.267 20 30 FEEDHN N#CC[C@@H](CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000369530085 556621894 /nfs/dbraw/zinc/62/18/94/556621894.db2.gz GFRSGFWFKYMIGG-HKUYNNGSSA-N 0 3 368.481 2.015 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000516514637 562045564 /nfs/dbraw/zinc/04/55/64/562045564.db2.gz CEXHMYAGACHDMY-JYJNAYRXSA-N 0 3 351.495 2.107 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc4c(c3)CNCC4)C2)nc1 ZINC000516632846 562051793 /nfs/dbraw/zinc/05/17/93/562051793.db2.gz MEVHBWWILCMAQW-GOSISDBHSA-N 0 3 363.421 2.284 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000370207013 556810966 /nfs/dbraw/zinc/81/09/66/556810966.db2.gz GEMLRPPKNCZHPX-IYBDPMFKSA-N 0 3 356.470 2.305 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)CC1 ZINC000370289610 556831248 /nfs/dbraw/zinc/83/12/48/556831248.db2.gz SJTVVPFHAJQONV-INIZCTEOSA-N 0 3 374.485 2.081 20 30 FEEDHN N#CCC1(CS(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC000516848479 562060113 /nfs/dbraw/zinc/06/01/13/562060113.db2.gz DBSXIGOHTXQVMT-HDICACEKSA-N 0 3 359.495 2.074 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(CCN2CCN(C)CC2)CC1 ZINC000370593173 556917108 /nfs/dbraw/zinc/91/71/08/556917108.db2.gz LRYRGKQVZRXENJ-WOJBJXKFSA-N 0 3 363.546 2.234 20 30 FEEDHN N#Cc1ccc(N2CCC(NCc3cc(=O)n4ccccc4n3)CC2)cc1 ZINC000516975574 562068675 /nfs/dbraw/zinc/06/86/75/562068675.db2.gz WYNQKXFMEBWPEY-UHFFFAOYSA-N 0 3 359.433 2.325 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)CC1 ZINC000370942580 557023870 /nfs/dbraw/zinc/02/38/70/557023870.db2.gz QRZKFWFTDSDJTI-KXBFYZLASA-N 0 3 374.554 2.123 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000517145914 562077491 /nfs/dbraw/zinc/07/74/91/562077491.db2.gz SPHPEJRDZCVDES-CJNGLKHVSA-N 0 3 360.285 2.213 20 30 FEEDHN CN1CCC2(CCCN2C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000371412575 557177881 /nfs/dbraw/zinc/17/78/81/557177881.db2.gz WQONFUKNEYBWCR-UHFFFAOYSA-N 0 3 360.845 2.237 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(OC)c(-c3ccn(C)n3)c2)CC1 ZINC000371455251 557190363 /nfs/dbraw/zinc/19/03/63/557190363.db2.gz CHSZXBZKTWNLMB-UHFFFAOYSA-N 0 3 354.454 2.476 20 30 FEEDHN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@H](c1ccccc1)N(C)C ZINC000518171948 562105653 /nfs/dbraw/zinc/10/56/53/562105653.db2.gz KEFPLPADVKBCFG-DNVCBOLYSA-N 0 3 372.494 2.008 20 30 FEEDHN C=C(C)[C@@H](CC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)OCC ZINC000371783286 557292544 /nfs/dbraw/zinc/29/25/44/557292544.db2.gz HNCJFWKIIGFJEI-GOSISDBHSA-N 0 3 351.535 2.234 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)CC1 ZINC000371825251 557304373 /nfs/dbraw/zinc/30/43/73/557304373.db2.gz QVBWTVVDDDLJCE-QGZVFWFLSA-N 0 3 373.522 2.347 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000518531424 562113743 /nfs/dbraw/zinc/11/37/43/562113743.db2.gz ZDPUCUXNIOLKRC-QGZVFWFLSA-N 0 3 356.474 2.376 20 30 FEEDHN COc1cc(CNC[C@@H](O)COc2ccc(NC(C)=O)cc2)ccc1C#N ZINC000518760281 562117641 /nfs/dbraw/zinc/11/76/41/562117641.db2.gz QSRKDZNMHDBUCQ-GOSISDBHSA-N 0 3 369.421 2.055 20 30 FEEDHN CN1CCC(C#N)(NC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000518950035 562121650 /nfs/dbraw/zinc/12/16/50/562121650.db2.gz FMDALLAPPVMVHL-UHFFFAOYSA-N 0 3 362.231 2.043 20 30 FEEDHN C=CCN(C(=O)NCc1nccn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372471364 557479370 /nfs/dbraw/zinc/47/93/70/557479370.db2.gz IEONAQPKNUKBPM-SFHVURJKSA-N 0 3 353.470 2.392 20 30 FEEDHN COc1ccc2c(c1)[C@@H](NCCNC(=O)C1N=CC=CC1=O)CCCO2 ZINC000373142143 557636841 /nfs/dbraw/zinc/63/68/41/557636841.db2.gz YREGLSQJIRUWHW-IJYGLTAASA-N 0 3 357.410 2.025 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000373200079 557648548 /nfs/dbraw/zinc/64/85/48/557648548.db2.gz CTRCVCYJYZXWQL-ICSRJNTNSA-N 0 3 356.397 2.031 20 30 FEEDHN C=CCN(C[C@H](O)COC(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195995 562150273 /nfs/dbraw/zinc/15/02/73/562150273.db2.gz UBEDMFBUWOPHKA-QAPCUYQASA-N 0 3 359.474 2.387 20 30 FEEDHN CN1CC[C@@H](CNC(=O)NCCc2cccc(C#N)c2)[C@@H]1c1cccnc1 ZINC000374192990 557841526 /nfs/dbraw/zinc/84/15/26/557841526.db2.gz JNKNTVFAQXTVKM-PMACEKPBSA-N 0 3 363.465 2.488 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@](CO)(c3ccccc3)C2)cc1 ZINC000374559281 557899608 /nfs/dbraw/zinc/89/96/08/557899608.db2.gz FZZQKHHLCWHALI-UNMCSNQZSA-N 0 3 366.461 2.324 20 30 FEEDHN C[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1)C1=CCN(C)CC1 ZINC000374752068 557925576 /nfs/dbraw/zinc/92/55/76/557925576.db2.gz QXMUQFAGBXFNRX-APWZRJJASA-N 0 3 367.497 2.477 20 30 FEEDHN CN1CCN(CC2(C)CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000374924789 557952257 /nfs/dbraw/zinc/95/22/57/557952257.db2.gz HKJWCMAOUJMGJH-UHFFFAOYSA-N 0 3 357.458 2.320 20 30 FEEDHN N#CCCN(C(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cccc(Cl)c1 ZINC000375338668 558011557 /nfs/dbraw/zinc/01/15/57/558011557.db2.gz SHGIYXUYXLSRPY-VQIMIIECSA-N 0 3 374.872 2.233 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNCc2nc(C#N)cs2)CC1 ZINC000521519285 562178027 /nfs/dbraw/zinc/17/80/27/562178027.db2.gz OHNUQHVPZQZOKE-UHFFFAOYSA-N 0 3 355.511 2.442 20 30 FEEDHN CN1C(=O)C[C@H](NC[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000375429884 558025982 /nfs/dbraw/zinc/02/59/82/558025982.db2.gz TURZHSYSGGVCCZ-NLWGTHIKSA-N 0 3 353.397 2.292 20 30 FEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C2CCOCC2)C[C@H]1C ZINC000376092310 558125972 /nfs/dbraw/zinc/12/59/72/558125972.db2.gz FPIVVYIEUDGQOH-CVEARBPZSA-N 0 3 356.470 2.070 20 30 FEEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000376191672 558138819 /nfs/dbraw/zinc/13/88/19/558138819.db2.gz ZGJUALGZBOMYAY-VXGBXAGGSA-N 0 3 362.355 2.221 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccnc(-n3cccn3)c2)cc1 ZINC000376433123 558172781 /nfs/dbraw/zinc/17/27/81/558172781.db2.gz JTOKSQUAZUSFPO-SFHVURJKSA-N 0 3 356.389 2.138 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000376626801 558199590 /nfs/dbraw/zinc/19/95/90/558199590.db2.gz IHXXVJUXXDNMNY-RAEVTNRLSA-N 0 3 363.439 2.061 20 30 FEEDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000376879206 558233156 /nfs/dbraw/zinc/23/31/56/558233156.db2.gz BYGMUPVKPJMDLU-SFHVURJKSA-N 0 3 366.509 2.341 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)NCC(C)(C)CCC#N)CC2)CC1 ZINC000377070400 558259735 /nfs/dbraw/zinc/25/97/35/558259735.db2.gz XITYDLYUBSKSNH-UHFFFAOYSA-N 0 3 363.550 2.375 20 30 FEEDHN C=C(CNC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1)c1ccccc1 ZINC000377078468 558261718 /nfs/dbraw/zinc/26/17/18/558261718.db2.gz NPEALLWSTAIUQY-LJQANCHMSA-N 0 3 356.514 2.369 20 30 FEEDHN Cc1cc(=NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)[nH]n1CCC#N ZINC000377578228 558369886 /nfs/dbraw/zinc/36/98/86/558369886.db2.gz BKELKWNAXHHNNN-AEFFLSMTSA-N 0 3 366.469 2.890 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000377689796 558397817 /nfs/dbraw/zinc/39/78/17/558397817.db2.gz YJVXBMBSNXGXSH-SFHVURJKSA-N 0 3 374.460 2.271 20 30 FEEDHN C#CCOc1ccc(CN2C[C@H]3CN(Cc4noc(CC)n4)C[C@@H]3C2)cc1 ZINC000378354145 558537163 /nfs/dbraw/zinc/53/71/63/558537163.db2.gz YYRQJSJYXMRJSH-ROUUACIJSA-N 0 3 366.465 2.208 20 30 FEEDHN C=CCc1cc(CN2CCN([C@H]3CCCN(C)C3)CC2)cc(OC)c1O ZINC000378357232 558537752 /nfs/dbraw/zinc/53/77/52/558537752.db2.gz VIDZGUNZZZCOFR-IBGZPJMESA-N 0 3 359.514 2.341 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CNCc2cnn(Cc3ccccc3)c2)cc1 ZINC000390263619 558610883 /nfs/dbraw/zinc/61/08/83/558610883.db2.gz OVJFVEKOMOICKU-FQEVSTJZSA-N 0 3 362.433 2.333 20 30 FEEDHN C[C@H](C(=O)NC1CCN([C@H](C)c2ccccc2)CC1)n1cnc(C#N)n1 ZINC000409694720 558714064 /nfs/dbraw/zinc/71/40/64/558714064.db2.gz NHGPQHMMDKQCJE-HUUCEWRRSA-N 0 3 352.442 2.053 20 30 FEEDHN C[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1 ZINC000409747426 558718329 /nfs/dbraw/zinc/71/83/29/558718329.db2.gz MZVPQNLNRXQTTN-NUJGCVRESA-N 0 3 366.469 2.222 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC000410108731 558739064 /nfs/dbraw/zinc/73/90/64/558739064.db2.gz XTWMWPMMKBYYLR-IEBWSBKVSA-N 0 3 373.472 2.283 20 30 FEEDHN C=CCN(CCOC[C@@H]1CCCO1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000525487015 562249337 /nfs/dbraw/zinc/24/93/37/562249337.db2.gz QZYCKIYTPUZHTQ-APWZRJJASA-N 0 3 357.458 2.407 20 30 FEEDHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1sccc1C#N ZINC000411694294 558945714 /nfs/dbraw/zinc/94/57/14/558945714.db2.gz NLMMOEVWOWACSH-UHFFFAOYSA-N 0 3 362.480 2.210 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](CO)[C@H]1CCCOC1 ZINC000411999723 559000870 /nfs/dbraw/zinc/00/08/70/559000870.db2.gz XYWLKSUYASDGDE-YQQAZPJKSA-N 0 3 352.500 2.028 20 30 FEEDHN C[C@@H](NCC(C)(C)CC#N)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000414169777 559151181 /nfs/dbraw/zinc/15/11/81/559151181.db2.gz SAKWOWWCVXKMDP-OAHLLOKOSA-N 0 3 365.499 2.298 20 30 FEEDHN Cn1cc(CNCCC(C)(C)S(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000414512464 559169438 /nfs/dbraw/zinc/16/94/38/559169438.db2.gz CFTBRMMXFPKKQD-UHFFFAOYSA-N 0 3 360.483 2.262 20 30 FEEDHN CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000415391003 559230438 /nfs/dbraw/zinc/23/04/38/559230438.db2.gz KYUDWWSSNAJBFS-KRWDZBQOSA-N 0 3 350.422 2.242 20 30 FEEDHN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CN)C3CC3)cc2)c1 ZINC000415453366 559238652 /nfs/dbraw/zinc/23/86/52/559238652.db2.gz NCPJBKCRAZBJBK-SFHVURJKSA-N 0 3 364.405 2.143 20 30 FEEDHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000415827097 559275783 /nfs/dbraw/zinc/27/57/83/559275783.db2.gz ADKRCUSLWHQIEW-QGZVFWFLSA-N 0 3 350.422 2.184 20 30 FEEDHN CN(C)CC1(NS(=O)(=O)c2cc(Br)ccc2C#N)CCC1 ZINC000416521445 559319566 /nfs/dbraw/zinc/31/95/66/559319566.db2.gz ICFBNTBTIWABNF-UHFFFAOYSA-N 0 3 372.288 2.083 20 30 FEEDHN C=CCN(C(=O)N[C@@H]1CCN(CC)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000416735081 559330558 /nfs/dbraw/zinc/33/05/58/559330558.db2.gz PVNCRHABAGULOA-NVXWUHKLSA-N 0 3 369.473 2.015 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419965529 559466664 /nfs/dbraw/zinc/46/66/64/559466664.db2.gz JWBIIHBLXRTOTC-LJQANCHMSA-N 0 3 368.481 2.097 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N2CCCN(CC)CC2)c(C#N)cn1CC ZINC000421167623 559528422 /nfs/dbraw/zinc/52/84/22/559528422.db2.gz UYTFJUZNHYCYFF-UHFFFAOYSA-N 0 3 361.446 2.116 20 30 FEEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000421292768 559536322 /nfs/dbraw/zinc/53/63/22/559536322.db2.gz BSXKZWXHQKCTBB-GFCCVEGCSA-N 0 3 362.499 2.408 20 30 FEEDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000421315062 559538761 /nfs/dbraw/zinc/53/87/61/559538761.db2.gz ZROPCGHUERBHFN-INIZCTEOSA-N 0 3 372.469 2.227 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000422310112 559577599 /nfs/dbraw/zinc/57/75/99/559577599.db2.gz VMGRELVLBMNRKN-OALUTQOASA-N 0 3 357.498 2.281 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422343174 559580096 /nfs/dbraw/zinc/58/00/96/559580096.db2.gz SGPJNNMNURFVAA-SJLPKXTDSA-N 0 3 370.497 2.069 20 30 FEEDHN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H](N)CCCC#N ZINC000424084387 559654350 /nfs/dbraw/zinc/65/43/50/559654350.db2.gz YFKPYYLJHBMXKF-LBPRGKRZSA-N 0 3 370.375 2.302 20 30 FEEDHN CN1C[C@@H]2CCCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H]2C1 ZINC000425057750 559685709 /nfs/dbraw/zinc/68/57/09/559685709.db2.gz NCXLGRINPVZUPL-FUHWJXTLSA-N 0 3 354.454 2.220 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425995178 559727078 /nfs/dbraw/zinc/72/70/78/559727078.db2.gz TVVOZFJCHZORFE-DENIHFKCSA-N 0 3 371.525 2.144 20 30 FEEDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 ZINC000427149094 559749204 /nfs/dbraw/zinc/74/92/04/559749204.db2.gz CLHSBTUGSJWZGB-CQSZACIVSA-N 0 3 357.385 2.251 20 30 FEEDHN CN(Cc1ccccc1)[C@H](CNS(=O)(=O)c1cccnc1C#N)C1CC1 ZINC000428426890 559775263 /nfs/dbraw/zinc/77/52/63/559775263.db2.gz YXYMPCXFTMNLSI-GOSISDBHSA-N 0 3 370.478 2.142 20 30 FEEDHN C[C@H]1C[C@@H]1N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1 ZINC000429019506 559788830 /nfs/dbraw/zinc/78/88/30/559788830.db2.gz JNKUVQHNZFLHMN-GJJHYRHESA-N 0 3 352.482 2.326 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc(C#N)o3)cc2)CC1 ZINC000429860482 559807380 /nfs/dbraw/zinc/80/73/80/559807380.db2.gz PIRPLOHHRKIWRQ-UHFFFAOYSA-N 0 3 352.438 2.219 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2nccs2)cc1 ZINC000429945175 559809429 /nfs/dbraw/zinc/80/94/29/559809429.db2.gz PUXCYAOSQDMCBJ-JTQLQIEISA-N 0 3 350.425 2.151 20 30 FEEDHN CN1CCN(CCCNC(=O)NCC2(CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC000430178155 559814888 /nfs/dbraw/zinc/81/48/88/559814888.db2.gz NWTXFMSBUPNARQ-LJQANCHMSA-N 0 3 369.513 2.358 20 30 FEEDHN C=CCOc1cccc(NC(=O)NCC(=O)NCCN2CCCCCC2)c1 ZINC000432757711 559864073 /nfs/dbraw/zinc/86/40/73/559864073.db2.gz CELKRFVCXDXNMP-UHFFFAOYSA-N 0 3 374.485 2.365 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1Br ZINC000432941821 559868416 /nfs/dbraw/zinc/86/84/16/559868416.db2.gz YNLUUKBQINBFCM-UHFFFAOYSA-N 0 3 372.288 2.085 20 30 FEEDHN CC(=O)N1CCC(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433015364 559869866 /nfs/dbraw/zinc/86/98/66/559869866.db2.gz WVQFZXGDZCVDAZ-IBGZPJMESA-N 0 3 356.470 2.138 20 30 FEEDHN COc1ccc(CNC(=O)CNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433302984 559876591 /nfs/dbraw/zinc/87/65/91/559876591.db2.gz ZJSCOKQDITYRTH-GOSISDBHSA-N 0 3 365.433 2.200 20 30 FEEDHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435651771 559927382 /nfs/dbraw/zinc/92/73/82/559927382.db2.gz XQTYSGKTNNXGFA-MRXNPFEDSA-N 0 3 360.433 2.407 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(N2CCOCC2)ccn1)C(C)C ZINC000439266030 559991148 /nfs/dbraw/zinc/99/11/48/559991148.db2.gz AQPVBTBNHGDUHJ-HXUWFJFHSA-N 0 3 372.513 2.347 20 30 FEEDHN CCC(CC)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)N(C)C ZINC000440076116 560004408 /nfs/dbraw/zinc/00/44/08/560004408.db2.gz JQRVKSKQVOSFBG-OAHLLOKOSA-N 0 3 368.459 2.111 20 30 FEEDHN Cc1nc2ccnn2cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000448726167 560196822 /nfs/dbraw/zinc/19/68/22/560196822.db2.gz PJZDFRVHABLZGC-UHFFFAOYSA-N 0 3 362.437 2.113 20 30 FEEDHN C=CCOc1ccc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1OC ZINC000449696976 560237212 /nfs/dbraw/zinc/23/72/12/560237212.db2.gz KVKLPSQJRCWVSS-SFHVURJKSA-N 0 3 373.497 2.046 20 30 FEEDHN C[C@@H](Oc1ccccn1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000449756313 560239075 /nfs/dbraw/zinc/23/90/75/560239075.db2.gz PZENREQAXVVQMW-MRXNPFEDSA-N 0 3 352.438 2.311 20 30 FEEDHN N#Cc1c(C#N)c(NC[C@@H]2CCCN2CCCO)nc2c1CCCCCC2 ZINC000450591519 560267356 /nfs/dbraw/zinc/26/73/56/560267356.db2.gz GHIPFVPMLINZGM-INIZCTEOSA-N 0 3 367.497 2.743 20 30 FEEDHN CC(=O)Nc1ccc(CN2CCC(Nc3cnc(C#N)cn3)CC2)cc1 ZINC000450788418 560273312 /nfs/dbraw/zinc/27/33/12/560273312.db2.gz UCCMOPLGPRTDHY-UHFFFAOYSA-N 0 3 350.426 2.383 20 30 FEEDHN N#Cc1cc(N2CCN([C@@H]3CCNC(=O)CC3)CC2)ccc1C(F)(F)F ZINC000450890129 560276749 /nfs/dbraw/zinc/27/67/49/560276749.db2.gz FVVLCHCOBYBQOM-AWEZNQCLSA-N 0 3 366.387 2.368 20 30 FEEDHN CCCN1CCC(CNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000451146730 560289846 /nfs/dbraw/zinc/28/98/46/560289846.db2.gz LWZPVNZVGDWZPB-UHFFFAOYSA-N 0 3 353.463 2.239 20 30 FEEDHN CN(CCC#N)C(=O)CCN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451303001 560298982 /nfs/dbraw/zinc/29/89/82/560298982.db2.gz FXIWSPYADWYYFP-OAHLLOKOSA-N 0 3 357.376 2.481 20 30 FEEDHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000451593602 560316633 /nfs/dbraw/zinc/31/66/33/560316633.db2.gz SSEGZJOZWUHUPO-FGTMMUONSA-N 0 3 355.438 2.375 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000451600226 560316896 /nfs/dbraw/zinc/31/68/96/560316896.db2.gz QXTMBMPQMZBSKW-MSOLQXFVSA-N 0 3 359.470 2.105 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000451678540 560321539 /nfs/dbraw/zinc/32/15/39/560321539.db2.gz INTZVQLNQNOASI-RLLQIKCJSA-N 0 3 357.498 2.215 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453444571 560386822 /nfs/dbraw/zinc/38/68/22/560386822.db2.gz NHAXCENVBBWVJC-OAHLLOKOSA-N 0 3 362.522 2.303 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453450830 560386920 /nfs/dbraw/zinc/38/69/20/560386920.db2.gz IEZSCVWHZRGYJI-SJORKVTESA-N 0 3 365.522 2.499 20 30 FEEDHN C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453450955 560386928 /nfs/dbraw/zinc/38/69/28/560386928.db2.gz RLBCVKYBINTKCC-KRWDZBQOSA-N 0 3 357.506 2.245 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)C)CC1 ZINC000453456242 560387113 /nfs/dbraw/zinc/38/71/13/560387113.db2.gz YLEYFAYQHLDAPV-UHFFFAOYSA-N 0 3 362.522 2.303 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(n1)CCC2)C(C)C ZINC000453608040 560391026 /nfs/dbraw/zinc/39/10/26/560391026.db2.gz ZURAZIILWZKWTE-SFHVURJKSA-N 0 3 370.497 2.324 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453613683 560391321 /nfs/dbraw/zinc/39/13/21/560391321.db2.gz NUJKAAMYSJLPHN-OWCLPIDISA-N 0 3 356.470 2.174 20 30 FEEDHN N#CCc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1 ZINC000453659158 560394177 /nfs/dbraw/zinc/39/41/77/560394177.db2.gz OTCMDTDCWPVBST-SFHVURJKSA-N 0 3 354.454 2.072 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)c(Cl)c1 ZINC000453712444 560398782 /nfs/dbraw/zinc/39/87/82/560398782.db2.gz SFZQISLLLFXVHA-OAHLLOKOSA-N 0 3 374.872 2.431 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000455949285 560501734 /nfs/dbraw/zinc/50/17/34/560501734.db2.gz CSOZTDJXVLFCOF-APWZRJJASA-N 0 3 355.486 2.356 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000459855649 560713828 /nfs/dbraw/zinc/71/38/28/560713828.db2.gz BFMLIOWWKXZWBS-OCCSQVGLSA-N 0 3 367.902 2.079 20 30 FEEDHN CC[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000459931525 560721018 /nfs/dbraw/zinc/72/10/18/560721018.db2.gz XFGUGPDIWCBSDN-KRWDZBQOSA-N 0 3 370.497 2.097 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000467022457 560901817 /nfs/dbraw/zinc/90/18/17/560901817.db2.gz IOSAOSGOWRJFBK-WMLDXEAASA-N 0 3 357.454 2.325 20 30 FEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000468472059 560930806 /nfs/dbraw/zinc/93/08/06/560930806.db2.gz ZQAABUUNAGMECK-AUUYWEPGSA-N 0 3 351.491 2.485 20 30 FEEDHN CN(C)C(=O)c1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000470753128 560988816 /nfs/dbraw/zinc/98/88/16/560988816.db2.gz AFCDRCOOZINBJO-IBGZPJMESA-N 0 3 360.417 2.259 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(-n3cncn3)cc2)cc1 ZINC000470845333 560991279 /nfs/dbraw/zinc/99/12/79/560991279.db2.gz SMBNQODATXJKPK-GOSISDBHSA-N 0 3 356.389 2.138 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCN(C)C[C@H]2C(C)C)c(OC)c1 ZINC000471211241 561000721 /nfs/dbraw/zinc/00/07/21/561000721.db2.gz ILBPLRQUQQWPMM-MOPGFXCFSA-N 0 3 362.514 2.435 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000471855042 561013113 /nfs/dbraw/zinc/01/31/13/561013113.db2.gz DQEMUSOPJVBXHS-BHYGNILZSA-N 0 3 359.470 2.360 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)Nc2c[nH]cc(Br)c2=O)cc1 ZINC000472443226 561026562 /nfs/dbraw/zinc/02/65/62/561026562.db2.gz SBQPFKJTJRYXES-LBPRGKRZSA-N 0 3 371.194 2.330 20 30 FEEDHN CS(=O)(=O)N1CCC[C@H](C(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000528914919 562352691 /nfs/dbraw/zinc/35/26/91/562352691.db2.gz RIQQSGNXDDCQIV-NWDGAFQWSA-N 0 3 363.464 2.144 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(C3CC3)c2)cc1OC ZINC000528919241 562352861 /nfs/dbraw/zinc/35/28/61/562352861.db2.gz LNWDCRVLANKJQH-CQSZACIVSA-N 0 3 354.366 2.196 20 30 FEEDHN CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000529426145 562373599 /nfs/dbraw/zinc/37/35/99/562373599.db2.gz GAXMQFRQDPOPJE-GUDVDZBRSA-N 0 3 373.497 2.277 20 30 FEEDHN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000529426145 562373600 /nfs/dbraw/zinc/37/36/00/562373600.db2.gz GAXMQFRQDPOPJE-GUDVDZBRSA-N 0 3 373.497 2.277 20 30 FEEDHN CCC(C#N)(CC)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000529492722 562375333 /nfs/dbraw/zinc/37/53/33/562375333.db2.gz PNIMEKJCGKPXKA-UHFFFAOYSA-N 0 3 370.497 2.330 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCN2C2CCCCC2)cc1 ZINC000530237456 562403390 /nfs/dbraw/zinc/40/33/90/562403390.db2.gz VTULOTRMHVVWNJ-SFHVURJKSA-N 0 3 361.511 2.329 20 30 FEEDHN COC(=O)CC1(NCCS(=O)(=O)c2cccc(C#N)c2)CCCCC1 ZINC000532827045 562489931 /nfs/dbraw/zinc/48/99/31/562489931.db2.gz GNXDIHZHBVKEFS-UHFFFAOYSA-N 0 3 364.467 2.188 20 30 FEEDHN N#Cc1ccc(OCc2ccc(C(=O)NCCNc3ccncc3)o2)cc1 ZINC000534523957 562535908 /nfs/dbraw/zinc/53/59/08/562535908.db2.gz VEJXCTSOLMFZFU-UHFFFAOYSA-N 0 3 362.389 2.389 20 30 FEEDHN CCC[C@@H]1CN(Cc2cccc(C(=O)OC)c2C#N)CCN1CCOC ZINC000535755897 562566850 /nfs/dbraw/zinc/56/68/50/562566850.db2.gz VGFLUIXXEZPWTC-QGZVFWFLSA-N 0 3 359.470 2.278 20 30 FEEDHN CN(C)CC1(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC000545490723 562628094 /nfs/dbraw/zinc/62/80/94/562628094.db2.gz NWCXGDCBQKBYRG-UHFFFAOYSA-N 0 3 361.389 2.340 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636699238 567837579 /nfs/dbraw/zinc/83/75/79/567837579.db2.gz RNRLOMDLQHENPJ-GOSISDBHSA-N 0 3 371.481 2.001 20 30 FEEDHN CC1CC(n2nnc3c2CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC3)C1 ZINC000601833782 567854876 /nfs/dbraw/zinc/85/48/76/567854876.db2.gz LFEZCVCZIAPJKI-ZCDVPAHGSA-N 0 3 374.448 2.388 20 30 FEEDHN COc1cc(NCCCNC(=O)C(C#N)CCc2ccccc2)ncn1 ZINC000602162746 567945804 /nfs/dbraw/zinc/94/58/04/567945804.db2.gz RLLUUVVEHXKTBB-INIZCTEOSA-N 0 3 353.426 2.176 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602543498 567989879 /nfs/dbraw/zinc/98/98/79/567989879.db2.gz BPUDEICYKOPASJ-KBPBESRZSA-N 0 3 366.824 2.112 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000602573038 567996368 /nfs/dbraw/zinc/99/63/68/567996368.db2.gz XDJGHFHNORFOMH-CQSZACIVSA-N 0 3 354.223 2.494 20 30 FEEDHN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)N1CC#N ZINC000602864378 568007793 /nfs/dbraw/zinc/00/77/93/568007793.db2.gz QKKRCWGSQBXRFQ-KBPBESRZSA-N 0 3 359.861 2.458 20 30 FEEDHN Cc1ccc(NC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000602865289 568008111 /nfs/dbraw/zinc/00/81/11/568008111.db2.gz RSRQLRRJNHZDGB-IAGOWNOFSA-N 0 3 373.501 2.386 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCC2Cc3ccccc3C2)nc1 ZINC000568620642 568099741 /nfs/dbraw/zinc/09/97/41/568099741.db2.gz IEPSFVUYKWHGOW-UHFFFAOYSA-N 0 3 355.463 2.122 20 30 FEEDHN C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000604561149 568311528 /nfs/dbraw/zinc/31/15/28/568311528.db2.gz WTMGQJXBSMYAMV-KFWWJZLASA-N 0 3 371.485 2.334 20 30 FEEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sccc1-c1nnn[n-]1)C(C)C ZINC000735419619 598811654 /nfs/dbraw/zinc/81/16/54/598811654.db2.gz YEEGAIJRWALOOT-AWEZNQCLSA-N 0 3 360.487 2.357 20 30 FEEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sccc1-c1nn[n-]n1)C(C)C ZINC000735419619 598811655 /nfs/dbraw/zinc/81/16/55/598811655.db2.gz YEEGAIJRWALOOT-AWEZNQCLSA-N 0 3 360.487 2.357 20 30 FEEDHN CN(C)CC1(NS(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000557853173 674471394 /nfs/dbraw/zinc/47/13/94/674471394.db2.gz SOFLFERWSKYYKB-UHFFFAOYSA-N 0 3 372.288 2.083 20 30 FEEDHN C#CC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000819702202 606075068 /nfs/dbraw/zinc/07/50/68/606075068.db2.gz SWLNWRSWKCIYOX-LBPRGKRZSA-N 0 3 372.498 2.337 20 30 FEEDHN C#CC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000819702202 606075074 /nfs/dbraw/zinc/07/50/74/606075074.db2.gz SWLNWRSWKCIYOX-LBPRGKRZSA-N 0 3 372.498 2.337 20 30 FEEDHN N#Cc1ccc([C@H](O)C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000822825952 606890321 /nfs/dbraw/zinc/89/03/21/606890321.db2.gz RDZHFESVDUSOHG-LJQANCHMSA-N 0 3 360.421 2.436 20 30 FEEDHN N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000822825952 606890323 /nfs/dbraw/zinc/89/03/23/606890323.db2.gz RDZHFESVDUSOHG-LJQANCHMSA-N 0 3 360.421 2.436 20 30 FEEDHN N#Cc1ccc([C@H](O)C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822825952 606890325 /nfs/dbraw/zinc/89/03/25/606890325.db2.gz RDZHFESVDUSOHG-LJQANCHMSA-N 0 3 360.421 2.436 20 30 FEEDHN N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822825952 606890327 /nfs/dbraw/zinc/89/03/27/606890327.db2.gz RDZHFESVDUSOHG-LJQANCHMSA-N 0 3 360.421 2.436 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000810526743 674549026 /nfs/dbraw/zinc/54/90/26/674549026.db2.gz FMWWEPIOQBUMGL-HNNXBMFYSA-N 0 3 364.467 2.038 20 30 FEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000050685801 670287539 /nfs/dbraw/zinc/28/75/39/670287539.db2.gz ISTAXSVHKSZZFK-AWEZNQCLSA-N 0 3 359.392 2.418 20 30 FEEDHN C#CCN1CCC(C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000068270173 670468525 /nfs/dbraw/zinc/46/85/25/670468525.db2.gz MJSWWMSECDKTIK-UHFFFAOYSA-N 0 3 365.271 2.289 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCCCNC1=O ZINC000078384309 670585833 /nfs/dbraw/zinc/58/58/33/670585833.db2.gz LJFFMXBHDRVGGG-HNNXBMFYSA-N 0 3 363.531 2.253 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000570017883 670647807 /nfs/dbraw/zinc/64/78/07/670647807.db2.gz ICKIZWXWKPFZCH-YPMHNXCESA-N 0 3 354.332 2.453 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000113651604 670886687 /nfs/dbraw/zinc/88/66/87/670886687.db2.gz AOUCMWJYODVQRC-DGCLKSJQSA-N 0 3 370.808 2.498 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@H]1CCOc2c(Br)cccc21 ZINC000578620106 671677744 /nfs/dbraw/zinc/67/77/44/671677744.db2.gz OVZFMJPDMIQBRO-DOMZBBRYSA-N 0 3 368.275 2.069 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CCC)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000610134193 675955966 /nfs/dbraw/zinc/95/59/66/675955966.db2.gz USHBPRLRIBMNGG-HZPDHXFCSA-N 0 3 351.491 2.448 20 30 FEEDHN N#CC(C(=O)CCCc1nc(-c2cccs2)no1)C(=O)N1CCCC1 ZINC000124860413 672003171 /nfs/dbraw/zinc/00/31/71/672003171.db2.gz BKMLNZDWCASION-LBPRGKRZSA-N 0 3 358.423 2.452 20 30 FEEDHN Cc1cc(CN[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1C#N ZINC000583716199 672119985 /nfs/dbraw/zinc/11/99/85/672119985.db2.gz RXTMIYWMMDLVKK-SFHVURJKSA-N 0 3 355.463 2.420 20 30 FEEDHN N#CCCN(C(=O)CN1CC[C@H](c2nc[nH]n2)C1)c1cccc(Cl)c1 ZINC000583990761 672145404 /nfs/dbraw/zinc/14/54/04/672145404.db2.gz NIFZNVMUMPAZQV-ZDUSSCGKSA-N 0 3 358.833 2.194 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000172542733 672342723 /nfs/dbraw/zinc/34/27/23/672342723.db2.gz YTMPGJLSXJMHEY-JKSUJKDBSA-N 0 3 351.491 2.446 20 30 FEEDHN N#Cc1c(Cl)cccc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000178517033 672392065 /nfs/dbraw/zinc/39/20/65/672392065.db2.gz GFXUASSNLSJNGF-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000181556645 672427883 /nfs/dbraw/zinc/42/78/83/672427883.db2.gz VEOOTSAEFWDJOY-HNNXBMFYSA-N 0 3 352.479 2.080 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000189278277 672612449 /nfs/dbraw/zinc/61/24/49/672612449.db2.gz ODMLEGARLSBYCY-OAHLLOKOSA-N 0 3 351.491 2.400 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCOc2ccc(Br)cc21 ZINC000591240860 672660743 /nfs/dbraw/zinc/66/07/43/672660743.db2.gz SDAJWHJMZZDDOW-DZGCQCFKSA-N 0 3 368.275 2.069 20 30 FEEDHN N#CC[C@]1(O)CCN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000592146838 672764116 /nfs/dbraw/zinc/76/41/16/672764116.db2.gz KVEKQMIPSDMWBV-HNNXBMFYSA-N 0 3 352.232 2.128 20 30 FEEDHN N#Cc1cnn2c1NC[C@@H](CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C2 ZINC000592505078 672809504 /nfs/dbraw/zinc/80/95/04/672809504.db2.gz RHUKDSLXUSQTBJ-INTQDDNPSA-N 0 3 367.297 2.469 20 30 FEEDHN N#Cc1sccc1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000593589237 672952127 /nfs/dbraw/zinc/95/21/27/672952127.db2.gz OVYGTMCMNWOUAH-IYBDPMFKSA-N 0 3 373.503 2.372 20 30 FEEDHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594435944 673071779 /nfs/dbraw/zinc/07/17/79/673071779.db2.gz BJCRYVXZFLLNLF-CABCVRRESA-N 0 3 364.877 2.455 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000594444616 673072785 /nfs/dbraw/zinc/07/27/85/673072785.db2.gz AAVMLFUYRVEHJF-CYBMUJFWSA-N 0 3 357.380 2.477 20 30 FEEDHN N#Cc1c(NCCCCN2CCN(CCO)CC2)cccc1C(F)F ZINC000594556260 673097278 /nfs/dbraw/zinc/09/72/78/673097278.db2.gz KGSYJWJRNGSSJV-UHFFFAOYSA-N 0 3 352.429 2.298 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N[C@H]2CCN(C3CCCCC3)C2)ccc1F ZINC000594854542 673165089 /nfs/dbraw/zinc/16/50/89/673165089.db2.gz PZSDQHYMGNHKEZ-AWEZNQCLSA-N 0 3 351.447 2.383 20 30 FEEDHN N#CC1(c2ccc(CNCCNS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000594918885 673178514 /nfs/dbraw/zinc/17/85/14/673178514.db2.gz UPVWCSQOVVQPJA-UHFFFAOYSA-N 0 3 355.463 2.310 20 30 FEEDHN C=CCCSCCNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000595724498 673285680 /nfs/dbraw/zinc/28/56/80/673285680.db2.gz LOGBTRCYSDKMHI-UHFFFAOYSA-N 0 3 350.488 2.231 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CCSCC2)cc1 ZINC000733053117 673395311 /nfs/dbraw/zinc/39/53/11/673395311.db2.gz UOLPGMOSAJCCFC-OAHLLOKOSA-N 0 3 359.451 2.179 20 30 FEEDHN C=CCCSCCNC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000596716242 673406913 /nfs/dbraw/zinc/40/69/13/673406913.db2.gz HAOJQHNUSKZDHX-QGZVFWFLSA-N 0 3 354.564 2.106 20 30 FEEDHN N#CC(C(=O)COC1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000735400719 673492953 /nfs/dbraw/zinc/49/29/53/673492953.db2.gz ZPCWABNQGWLIEG-LBPRGKRZSA-N 0 3 354.765 2.322 20 30 FEEDHN CN(C[C@@H](O)CC(C)(C)C#N)C[C@@H](c1cccs1)N1CCOCC1 ZINC000598588411 673587027 /nfs/dbraw/zinc/58/70/27/673587027.db2.gz LKXAPGGHIALHLB-HOTGVXAUSA-N 0 3 351.516 2.354 20 30 FEEDHN COC(=O)c1cnc([C@@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598628213 673592733 /nfs/dbraw/zinc/59/27/33/673592733.db2.gz LSGVRCGRSAIOTP-CHWSQXEVSA-N 0 3 351.472 2.410 20 30 FEEDHN CN1CCN(CC2CN(c3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000599109617 673634050 /nfs/dbraw/zinc/63/40/50/673634050.db2.gz VSAYXMUOJCMOCO-UHFFFAOYSA-N 0 3 367.266 2.143 20 30 FEEDHN N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000601376655 673851567 /nfs/dbraw/zinc/85/15/67/673851567.db2.gz NMOQYQPZJIVRAJ-AEFFLSMTSA-N 0 3 359.495 2.390 20 30 FEEDHN CCOC(=O)[C@@H]1[C@@H](N[C@@H]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000818357223 675215951 /nfs/dbraw/zinc/21/59/51/675215951.db2.gz WXAZHCKLFWDEBI-XGUBFFRZSA-N 0 3 351.447 2.209 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCOc1ccccc1Br ZINC000818611889 675228538 /nfs/dbraw/zinc/22/85/38/675228538.db2.gz HEDGIRVAXNFCSX-UHFFFAOYSA-N 0 3 353.260 2.289 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)nc1N ZINC000824369244 675598573 /nfs/dbraw/zinc/59/85/73/675598573.db2.gz XFGYPUNIYJQGCK-UHFFFAOYSA-N 0 3 357.845 2.393 20 30 FEEDHN CN1CCN(C2CCN(C(=O)c3ccccc3SCC#N)CC2)CC1 ZINC000827468623 675758276 /nfs/dbraw/zinc/75/82/76/675758276.db2.gz YDSPLWSXYKWYRG-UHFFFAOYSA-N 0 3 358.511 2.154 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619758740 676393724 /nfs/dbraw/zinc/39/37/24/676393724.db2.gz DNHGMDZMWIVMPF-HNNXBMFYSA-N 0 3 350.850 2.122 20 30 FEEDHN CC#CC[C@H](CO)NCc1cc(Br)c2c(c1)OCCCO2 ZINC000641768789 677215296 /nfs/dbraw/zinc/21/52/96/677215296.db2.gz IAWLHXJBFSZFCB-CYBMUJFWSA-N 0 3 354.244 2.474 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000656311150 677740680 /nfs/dbraw/zinc/74/06/80/677740680.db2.gz JVEDQNXHOMMJBG-CYBMUJFWSA-N 0 3 357.445 2.083 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@]1(O)CCCOC1 ZINC000656695000 677806844 /nfs/dbraw/zinc/80/68/44/677806844.db2.gz YSYVEQJHDVMSOP-GOSISDBHSA-N 0 3 366.531 2.126 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000668835638 679203175 /nfs/dbraw/zinc/20/31/75/679203175.db2.gz FRBXPQZDVYFNBV-UHFFFAOYSA-N 0 3 370.280 2.376 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CN(CCOC2CCC2)CC1(C)C ZINC000974586022 679960729 /nfs/dbraw/zinc/96/07/29/679960729.db2.gz CHJWOUWWXRIIME-SQNIBIBYSA-N 0 3 350.503 2.363 20 30 FEEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001017133565 680070212 /nfs/dbraw/zinc/07/02/12/680070212.db2.gz SLZODWFTZGHNEV-DOXZYTNZSA-N 0 3 359.495 2.327 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3scnc3C)C[C@H]21 ZINC000978825758 680181341 /nfs/dbraw/zinc/18/13/41/680181341.db2.gz FUVYSDOJGQRWPP-FDPKGLCPSA-N 0 3 361.511 2.227 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(CCC[C@@H]2CCOC2)CC1 ZINC000981189665 680219736 /nfs/dbraw/zinc/21/97/36/680219736.db2.gz BEFIIQLKUXHYIF-QRVBRYPASA-N 0 3 350.503 2.319 20 30 FEEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000835066573 680292612 /nfs/dbraw/zinc/29/26/12/680292612.db2.gz RXRQAKUHONGMPA-GMTAPVOTSA-N 0 3 354.284 2.304 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001029847926 680394029 /nfs/dbraw/zinc/39/40/29/680394029.db2.gz YKKYRUUNZVBOHT-OLMNPRSZSA-N 0 3 359.495 2.491 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2cnns2)CC1 ZINC001034753846 680440249 /nfs/dbraw/zinc/44/02/49/680440249.db2.gz WZTCGKBZUBLNKQ-OTRWWLKZSA-N 0 3 364.515 2.426 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CCN(Cc3cnc(C)s3)C2)C1 ZINC001041695894 680508860 /nfs/dbraw/zinc/50/88/60/680508860.db2.gz GYGRPJWQXGJZMM-AOIWGVFYSA-N 0 3 361.511 2.467 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043359635 680577543 /nfs/dbraw/zinc/57/75/43/680577543.db2.gz VTWXSVCDXSVUOH-XWIASGKRSA-N 0 3 367.906 2.267 20 30 FEEDHN C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000759987159 680673780 /nfs/dbraw/zinc/67/37/80/680673780.db2.gz ULIJKJGKYXJOGV-GDBMZVCRSA-N 0 3 351.447 2.347 20 30 FEEDHN COC(=O)c1cncc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000760181908 680679015 /nfs/dbraw/zinc/67/90/15/680679015.db2.gz CWNPUMZCOMTHBX-LBPRGKRZSA-N 0 3 357.753 2.483 20 30 FEEDHN Cc1cc(C=NNC(=S)NC2CCN(Cc3ccccc3)CC2)no1 ZINC000841607891 680903448 /nfs/dbraw/zinc/90/34/48/680903448.db2.gz LZUQVEIXUBYVOT-UHFFFAOYSA-N 0 3 357.483 2.446 20 30 FEEDHN Cn1nc(C2CC2)nc1CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000842685794 680959438 /nfs/dbraw/zinc/95/94/38/680959438.db2.gz XPDMNIUVJBBSDI-CYBMUJFWSA-N 0 3 357.801 2.236 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1c2ccc(Br)cc2nn1C ZINC000843896947 681024380 /nfs/dbraw/zinc/02/43/80/681024380.db2.gz OOCAUNBMVPMUOI-UHFFFAOYSA-N 0 3 363.259 2.021 20 30 FEEDHN C#CCN1CCC2(CN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C2)CC1 ZINC001050549333 681050168 /nfs/dbraw/zinc/05/01/68/681050168.db2.gz MVFUGLPEPDDKBS-LSDHHAIUSA-N 0 3 358.404 2.434 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCN(c2snc(C)c2C#N)[C@@H]1C ZINC001051158897 681064860 /nfs/dbraw/zinc/06/48/60/681064860.db2.gz VLVCIOPYGVYJPB-VNQPRFMTSA-N 0 3 361.515 2.281 20 30 FEEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nn1C ZINC000773980276 681163354 /nfs/dbraw/zinc/16/33/54/681163354.db2.gz PVWDFFMARKKESI-JTQLQIEISA-N 0 3 362.773 2.052 20 30 FEEDHN CCOC(=O)[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000932644631 681275636 /nfs/dbraw/zinc/27/56/36/681275636.db2.gz LETZGSGVEIQYOW-QWHCGFSZSA-N 0 3 357.435 2.358 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932917553 681327921 /nfs/dbraw/zinc/32/79/21/681327921.db2.gz VEINXRSHZFSAFO-CYBMUJFWSA-N 0 3 350.385 2.020 20 30 FEEDHN C#C[C@@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCCO1 ZINC000775795953 681335849 /nfs/dbraw/zinc/33/58/49/681335849.db2.gz QMDLIZWEPYKPFU-KGLIPLIRSA-N 0 3 356.495 2.465 20 30 FEEDHN N#Cc1cc(CS(=O)(=O)N2CCC[C@H]2CN2CCCCC2)cs1 ZINC000914055449 685492712 /nfs/dbraw/zinc/49/27/12/685492712.db2.gz AOPCLFHBEOXGHS-HNNXBMFYSA-N 0 3 353.513 2.400 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(CNCc2csnc2OC)C1 ZINC000961852838 682102748 /nfs/dbraw/zinc/10/27/48/682102748.db2.gz HWIQVFFRRVKNJP-GDVJOBBMSA-N 0 3 365.499 2.117 20 30 FEEDHN N#CC(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)NC1CC1 ZINC000916926538 685528610 /nfs/dbraw/zinc/52/86/10/685528610.db2.gz ILCIRIDQLQMORO-HZMBPMFUSA-N 0 3 363.826 2.130 20 30 FEEDHN CN(CC(=O)NC(C)(C)C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917060029 685529339 /nfs/dbraw/zinc/52/93/39/685529339.db2.gz KQLQLFBETIOQMM-GFCCVEGCSA-N 0 3 358.467 2.319 20 30 FEEDHN CC(C)[C@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1 ZINC000856490878 682789000 /nfs/dbraw/zinc/78/90/00/682789000.db2.gz TYVZSYTZVQBYBZ-HUUCEWRRSA-N 0 3 352.479 2.030 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(CCO)Cc2cccnc2Cl)CC1 ZINC000792988638 682855024 /nfs/dbraw/zinc/85/50/24/682855024.db2.gz GSBDHKXTIXWHTI-UHFFFAOYSA-N 0 3 366.893 2.279 20 30 FEEDHN C#CCN(C(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1)C1CCN(C)CC1 ZINC000926295083 683105370 /nfs/dbraw/zinc/10/53/70/683105370.db2.gz YRJUHSCYWUXBMH-CABCVRRESA-N 0 3 361.408 2.225 20 30 FEEDHN C=C(C)CN(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(CO)o1 ZINC000796384484 683158156 /nfs/dbraw/zinc/15/81/56/683158156.db2.gz VZIXNOYSMFSMHS-UHFFFAOYSA-N 0 3 364.467 2.040 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956991 683407981 /nfs/dbraw/zinc/40/79/81/683407981.db2.gz TXCXHWYLFOSWIP-BEFAXECRSA-N 0 3 351.491 2.352 20 30 FEEDHN COc1cc(CNCC2(S(=O)(=O)NC(C)(C)C)CCC2)ccc1C#N ZINC000922474367 683730976 /nfs/dbraw/zinc/73/09/76/683730976.db2.gz ONURDTAUKBCQPO-UHFFFAOYSA-N 0 3 365.499 2.297 20 30 FEEDHN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000868521133 684505455 /nfs/dbraw/zinc/50/54/55/684505455.db2.gz QEOLRYKUYKZTLB-MELADBBJSA-N 0 3 357.882 2.185 20 30 FEEDHN C#CCN(C)CCCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C1=O ZINC000925314926 684549475 /nfs/dbraw/zinc/54/94/75/684549475.db2.gz WGFQGORSJOFYGG-CQSZACIVSA-N 0 3 353.344 2.253 20 30 FEEDHN CC[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@H](O)c1ccccc1 ZINC000872250393 684932495 /nfs/dbraw/zinc/93/24/95/684932495.db2.gz HRIRFODRBNYJPE-RTBURBONSA-N 0 3 358.463 2.434 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000876686096 686243640 /nfs/dbraw/zinc/24/36/40/686243640.db2.gz PCETZIQWPCLGMM-SCDSUCTJSA-N 0 3 351.834 2.443 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCSC)c1nnc2ccccn21 ZINC000876713479 686251010 /nfs/dbraw/zinc/25/10/10/686251010.db2.gz JTIIKYUPZXLXPU-RYUDHWBXSA-N 0 3 353.879 2.110 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000876728454 686254914 /nfs/dbraw/zinc/25/49/14/686254914.db2.gz MHRFCXMVJBMNRM-WCQYABFASA-N 0 3 371.268 2.382 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000876755772 686261668 /nfs/dbraw/zinc/26/16/68/686261668.db2.gz WPCOFCSUYCNAAQ-RHSMWYFYSA-N 0 3 351.878 2.370 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000876784408 686268379 /nfs/dbraw/zinc/26/83/79/686268379.db2.gz DSOLETWFMNCULM-KRWDZBQOSA-N 0 3 350.894 2.308 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000876895647 686289927 /nfs/dbraw/zinc/28/99/27/686289927.db2.gz HMGWXHHHNBXBNJ-CYBMUJFWSA-N 0 3 354.241 2.315 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000877205250 686339554 /nfs/dbraw/zinc/33/95/54/686339554.db2.gz CRKSHEKOOOSNDL-XJKSGUPXSA-N 0 3 359.253 2.400 20 30 FEEDHN C#C[C@H](NCc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000877535288 686404541 /nfs/dbraw/zinc/40/45/41/686404541.db2.gz XVYLJIHBMJBSQW-ZDUSSCGKSA-N 0 3 359.289 2.234 20 30 FEEDHN C=CCCCCCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883711476 687707638 /nfs/dbraw/zinc/70/76/38/687707638.db2.gz OXUHHJKYANPHLV-UHFFFAOYSA-N 0 3 350.507 2.248 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000886562599 688275024 /nfs/dbraw/zinc/27/50/24/688275024.db2.gz CRPJBWSIRVUYFM-MRXNPFEDSA-N 0 3 354.372 2.200 20 30 FEEDHN C=C(C)C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(=O)OCC ZINC000893547661 689365007 /nfs/dbraw/zinc/36/50/07/689365007.db2.gz KONRONCWJYLOLW-INIZCTEOSA-N 0 3 352.475 2.036 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898283286 690153784 /nfs/dbraw/zinc/15/37/84/690153784.db2.gz YCFYHYQJLUIBDC-OAHLLOKOSA-N 0 3 365.499 2.271 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)c3ccsc3C#N)cc2)CC1 ZINC000906174726 691238868 /nfs/dbraw/zinc/23/88/68/691238868.db2.gz BBLXKDYOTXUBSL-UHFFFAOYSA-N 0 3 354.479 2.297 20 30 FEEDHN N#Cc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc12 ZINC001164746443 720760406 /nfs/dbraw/zinc/76/04/06/720760406.db2.gz YECNTQCOEOQBAD-IRXDYDNUSA-N 0 3 372.432 2.238 20 30 FEEDHN Cc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1CC#N ZINC001164880932 721156957 /nfs/dbraw/zinc/15/69/57/721156957.db2.gz XWMRUFATBLHSFS-UXHICEINSA-N 0 3 363.465 2.331 20 30 FEEDHN N#CCc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978008 722131730 /nfs/dbraw/zinc/13/17/30/722131730.db2.gz JDCCMRNTNVGVQO-WOJBJXKFSA-N 0 3 363.465 2.270 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2C(=O)N2CCCC2)cc1 ZINC000109389943 210183966 /nfs/dbraw/zinc/18/39/66/210183966.db2.gz PXXBECGTWMIACX-GOSISDBHSA-N 0 3 354.454 2.364 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CNCc1ccc(C(=O)NC)cc1 ZINC000028920183 539839758 /nfs/dbraw/zinc/83/97/58/539839758.db2.gz RASYUSIDVGTHQE-IBGZPJMESA-N 0 3 354.450 2.304 20 30 FEEDHN COC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532472 539884195 /nfs/dbraw/zinc/88/41/95/539884195.db2.gz ILWCHXDVNZECDF-KSSFIOAISA-N 0 3 354.406 2.435 20 30 FEEDHN N#CC(C(=O)c1ccccc1OCC(N)=O)c1ccc(C(F)(F)F)cn1 ZINC000041553049 540024815 /nfs/dbraw/zinc/02/48/15/540024815.db2.gz YYXXUJUEXZDPCY-GFCCVEGCSA-N 0 3 363.295 2.455 20 30 FEEDHN CC(=O)Nc1ccc(OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000042123114 540052221 /nfs/dbraw/zinc/05/22/21/540052221.db2.gz GSRUYHUKFFCASM-LJQANCHMSA-N 0 3 353.422 2.388 20 30 FEEDHN Cc1csc(=O)n1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047011453 540284721 /nfs/dbraw/zinc/28/47/21/540284721.db2.gz UCDPGDFVBRFJCJ-UHFFFAOYSA-N 0 3 372.494 2.070 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1ncc2ccccc2c1=O)C(C)C ZINC000047633760 540321906 /nfs/dbraw/zinc/32/19/06/540321906.db2.gz XENSZZDDDAFJDQ-IBGZPJMESA-N 0 3 368.481 2.211 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)COc2ccccc2C#N)c1 ZINC000056890432 540753570 /nfs/dbraw/zinc/75/35/70/540753570.db2.gz JWLHYXKWOQLMRV-UHFFFAOYSA-N 0 3 353.422 2.194 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1c(C)c(C)sc1=O)C(C)C ZINC000056969088 540758441 /nfs/dbraw/zinc/75/84/41/540758441.db2.gz CQFJEFMRRVULEB-MRXNPFEDSA-N 0 3 351.516 2.341 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCN(CC3CCCCC3)CC2)cc1 ZINC000064129483 541194370 /nfs/dbraw/zinc/19/43/70/541194370.db2.gz DOSGVNCZNAOVFT-HXUWFJFHSA-N 0 3 357.498 2.496 20 30 FEEDHN CC(=O)Nc1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1 ZINC000065930572 541272160 /nfs/dbraw/zinc/27/21/60/541272160.db2.gz IEUCUVMQLWHTQR-UHFFFAOYSA-N 0 3 371.466 2.177 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000067438558 541464255 /nfs/dbraw/zinc/46/42/55/541464255.db2.gz RGLPCEHHHJFJPW-OWCLPIDISA-N 0 3 372.469 2.010 20 30 FEEDHN CN1CCN(C[C@H](O)COc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000069168062 541665814 /nfs/dbraw/zinc/66/58/14/541665814.db2.gz VJOCDSYSFJCDGS-IBGZPJMESA-N 0 3 351.450 2.444 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(CN3CCN(C)CC3)c2)CC1 ZINC000073436950 541954079 /nfs/dbraw/zinc/95/40/79/541954079.db2.gz GOENDROMMSIIGX-UHFFFAOYSA-N 0 3 370.541 2.204 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000073496606 541958922 /nfs/dbraw/zinc/95/89/22/541958922.db2.gz WJVYHMUUBHYYQH-CABCVRRESA-N 0 3 374.510 2.429 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000073988576 542022917 /nfs/dbraw/zinc/02/29/17/542022917.db2.gz UTKCFNYSDHQMHV-DLBZAZTESA-N 0 3 357.454 2.421 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000074656375 542107344 /nfs/dbraw/zinc/10/73/44/542107344.db2.gz HLJHQPGQSOTQBC-SFHVURJKSA-N 0 3 374.529 2.276 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(NC(=O)C(C)C)CC1 ZINC000078482356 542463752 /nfs/dbraw/zinc/46/37/52/542463752.db2.gz IHMMHKQMTNOXKG-IBGZPJMESA-N 0 3 360.498 2.391 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCCC1 ZINC000078557711 542467311 /nfs/dbraw/zinc/46/73/11/542467311.db2.gz QBYSGLCWXFYSPP-UHFFFAOYSA-N 0 3 363.531 2.207 20 30 FEEDHN C[C@@H](C#N)CN(C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000079351773 542513385 /nfs/dbraw/zinc/51/33/85/542513385.db2.gz CRWKTQIVEKXFFZ-PKOBYXMFSA-N 0 3 357.502 2.166 20 30 FEEDHN CCN1CC[C@H](NCC(=O)NCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801958067 674157010 /nfs/dbraw/zinc/15/70/10/674157010.db2.gz WHKZKHLNJNCJLN-RDJZCZTQSA-N 0 3 352.841 2.234 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)c3cccc(SCC#N)c3)CC2)CC1 ZINC000079536509 542524953 /nfs/dbraw/zinc/52/49/53/542524953.db2.gz SFGGQAMAILKVQZ-UHFFFAOYSA-N 0 3 372.538 2.402 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)NC2CCN(CC#N)CC2)CCN1Cc1ccccc1 ZINC000080122542 542567268 /nfs/dbraw/zinc/56/72/68/542567268.db2.gz NPSUCKMPMSUIGM-XLIONFOSSA-N 0 3 369.513 2.327 20 30 FEEDHN N#CC(C(=O)CCn1ccnn1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000802042181 674159543 /nfs/dbraw/zinc/15/95/43/674159543.db2.gz NIQZPMAEHOFYKR-LBPRGKRZSA-N 0 3 352.181 2.323 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000081366532 542651421 /nfs/dbraw/zinc/65/14/21/542651421.db2.gz PNCSKAGKQCRMEK-HUUCEWRRSA-N 0 3 374.510 2.287 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(C)c(OCC(=O)OC)c(C)c2)CC1 ZINC000084295955 542711280 /nfs/dbraw/zinc/71/12/80/542711280.db2.gz HGFGORWOTMMWFW-UHFFFAOYSA-N 0 3 360.454 2.235 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000089953578 542776640 /nfs/dbraw/zinc/77/66/40/542776640.db2.gz OMAPKOSCRIOAHZ-HNNXBMFYSA-N 0 3 352.438 2.302 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc2c(C)cccn2c1=O)C(C)C ZINC000091053727 542792557 /nfs/dbraw/zinc/79/25/57/542792557.db2.gz ABFNUAIPWCLMRR-GOSISDBHSA-N 0 3 368.481 2.431 20 30 FEEDHN CCN1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092407396 542861821 /nfs/dbraw/zinc/86/18/21/542861821.db2.gz NQAOEVURIJXPKS-UHFFFAOYSA-N 0 3 371.485 2.380 20 30 FEEDHN CCS[C@@H]1CCCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618633 542875386 /nfs/dbraw/zinc/87/53/86/542875386.db2.gz PMKXNWHHCRMHKF-MSOLQXFVSA-N 0 3 366.575 2.286 20 30 FEEDHN N#Cc1ccncc1N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000094152282 542954803 /nfs/dbraw/zinc/95/48/03/542954803.db2.gz JJNZTEUOOKNHSE-SFHVURJKSA-N 0 3 362.481 2.387 20 30 FEEDHN CCN(CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 ZINC000102065289 543058668 /nfs/dbraw/zinc/05/86/68/543058668.db2.gz VZNMDJNKPIFBGU-UHFFFAOYSA-N 0 3 359.449 2.013 20 30 FEEDHN CC1(C)NC(=O)N(CCCN2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000104712727 543138278 /nfs/dbraw/zinc/13/82/78/543138278.db2.gz GITPYKXCCSICQA-UHFFFAOYSA-N 0 3 370.453 2.122 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000106037729 543186050 /nfs/dbraw/zinc/18/60/50/543186050.db2.gz KXEVYFLCEXXQCC-CALCHBBNSA-N 0 3 372.513 2.466 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(C(=O)NCC)c2)CC1 ZINC000106265042 543221696 /nfs/dbraw/zinc/22/16/96/543221696.db2.gz ARKBFCNETKOOHH-UHFFFAOYSA-N 0 3 358.486 2.276 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)COc2cccc(C)c2)CC1 ZINC000106340601 543224140 /nfs/dbraw/zinc/22/41/40/543224140.db2.gz RHSJCLOIGDYQTM-GOSISDBHSA-N 0 3 361.486 2.074 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(N(C)C)c(C)c2)CC1 ZINC000106349614 543224843 /nfs/dbraw/zinc/22/48/43/543224843.db2.gz FWTTZLLCYBZVRN-UHFFFAOYSA-N 0 3 358.486 2.156 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2nc(-c3ccccn3)cs2)CC1 ZINC000109881052 543342758 /nfs/dbraw/zinc/34/27/58/543342758.db2.gz HLZPZIUEZQZAGZ-UHFFFAOYSA-N 0 3 354.479 2.209 20 30 FEEDHN C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)CN1CCN(C)CC1 ZINC000111661166 543410502 /nfs/dbraw/zinc/41/05/02/543410502.db2.gz PARKQAOTZGATPS-GOSISDBHSA-N 0 3 372.513 2.107 20 30 FEEDHN Cc1nn(-c2ccccc2)c(C)c1CNCCNC(=O)C1N=CC=CC1=O ZINC000113361022 543484391 /nfs/dbraw/zinc/48/43/91/543484391.db2.gz PENSQONHIAOXPQ-FMQUCBEESA-N 0 3 365.437 2.105 20 30 FEEDHN N#Cc1cc(F)c(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000125263815 543871974 /nfs/dbraw/zinc/87/19/74/543871974.db2.gz FSLSWOBLQOODPD-CQSZACIVSA-N 0 3 369.437 2.475 20 30 FEEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)nc1 ZINC000127039656 543969626 /nfs/dbraw/zinc/96/96/26/543969626.db2.gz BMFJMHZOSSUQBQ-UHFFFAOYSA-N 0 3 350.422 2.410 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000132283955 544225864 /nfs/dbraw/zinc/22/58/64/544225864.db2.gz AHJUHEDMWRIADF-BETUJISGSA-N 0 3 351.397 2.456 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 ZINC000133059907 544254513 /nfs/dbraw/zinc/25/45/13/544254513.db2.gz QWTJOCTUOSZTIL-KRWDZBQOSA-N 0 3 364.534 2.221 20 30 FEEDHN CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCN(C)C1 ZINC000151133193 544508487 /nfs/dbraw/zinc/50/84/87/544508487.db2.gz GULNTBRHRJGPQL-GOSISDBHSA-N 0 3 356.470 2.266 20 30 FEEDHN CCNC(=O)N1CC[C@@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000152676609 544682319 /nfs/dbraw/zinc/68/23/19/544682319.db2.gz GCXBNPGUTMMGSP-GOSISDBHSA-N 0 3 366.469 2.357 20 30 FEEDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000152857745 544703968 /nfs/dbraw/zinc/70/39/68/544703968.db2.gz ZESOLDWJIXJDBT-WBMJQRKESA-N 0 3 353.875 2.316 20 30 FEEDHN C[C@@H](NC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)cc1 ZINC000153283258 544756255 /nfs/dbraw/zinc/75/62/55/544756255.db2.gz ALNWEWLUHWRWEY-OLZOCXBDSA-N 0 3 372.448 2.133 20 30 FEEDHN C[C@H](CNC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153291340 544756923 /nfs/dbraw/zinc/75/69/23/544756923.db2.gz DZEYCEJDUYQDAD-CABCVRRESA-N 0 3 368.485 2.036 20 30 FEEDHN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000153893631 544836745 /nfs/dbraw/zinc/83/67/45/544836745.db2.gz CDGHPRFFXNAVMP-VQIMIIECSA-N 0 3 373.497 2.171 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183562282 327824523 /nfs/dbraw/zinc/82/45/23/327824523.db2.gz DVPDXOFPBOHTBE-UHFFFAOYSA-N 0 3 368.397 2.457 20 30 FEEDHN CC(C)N1CCN(CCCN2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000191380710 328262942 /nfs/dbraw/zinc/26/29/42/328262942.db2.gz HQMBWACYGPXVSS-UHFFFAOYSA-N 0 3 373.520 2.235 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(CCN(C)C)C3CCCC3)CC2)o1 ZINC000193249821 328364923 /nfs/dbraw/zinc/36/49/23/328364923.db2.gz IBNYHTUIAAFONA-UHFFFAOYSA-N 0 3 373.501 2.404 20 30 FEEDHN CN(C)CCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCC1 ZINC000193322866 328368843 /nfs/dbraw/zinc/36/88/43/328368843.db2.gz FWYVJDWZEXCKGK-UHFFFAOYSA-N 0 3 373.501 2.386 20 30 FEEDHN CNS(=O)(=O)c1ccc([C@H](C)NCCOc2ccc(C#N)cc2)cc1 ZINC000090107188 325353982 /nfs/dbraw/zinc/35/39/82/325353982.db2.gz NJHHEVZLMNZCON-AWEZNQCLSA-N 0 3 359.451 2.196 20 30 FEEDHN CNS(=O)(=O)c1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)cc1 ZINC000090107191 325354040 /nfs/dbraw/zinc/35/40/40/325354040.db2.gz NJHHEVZLMNZCON-CQSZACIVSA-N 0 3 359.451 2.196 20 30 FEEDHN CN(C)C[C@](C)(O)CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247468 325383608 /nfs/dbraw/zinc/38/36/08/325383608.db2.gz KMYWQLFKBUBJBK-OAQYLSRUSA-N 0 3 366.465 2.337 20 30 FEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000128524871 326525278 /nfs/dbraw/zinc/52/52/78/326525278.db2.gz RGLIOHHGXAHULC-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1O ZINC000132733558 326597227 /nfs/dbraw/zinc/59/72/27/326597227.db2.gz JOSIYVXDAWUBPC-UHFFFAOYSA-N 0 3 353.422 2.233 20 30 FEEDHN COC(=O)c1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)o1 ZINC000157664430 326871605 /nfs/dbraw/zinc/87/16/05/326871605.db2.gz NXFJOUSBENASQS-UHFFFAOYSA-N 0 3 355.394 2.142 20 30 FEEDHN COc1ccc(CNCc2ccc(C(=O)NCCN(C)C)cc2)cc1C#N ZINC000174411240 327325431 /nfs/dbraw/zinc/32/54/31/327325431.db2.gz DLDAWKGKKDTTHR-UHFFFAOYSA-N 0 3 366.465 2.148 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(c2ncccc2C#N)CC1 ZINC000265528917 329136057 /nfs/dbraw/zinc/13/60/57/329136057.db2.gz AOILRVUDXJBSQB-UHFFFAOYSA-N 0 3 351.454 2.220 20 30 FEEDHN CCO[C@H]1C[C@H](O)C12CCN(CCOc1ccc(C#N)cc1OC)CC2 ZINC000265954124 329176253 /nfs/dbraw/zinc/17/62/53/329176253.db2.gz HWLWHBHOSLCQGN-OALUTQOASA-N 0 3 360.454 2.198 20 30 FEEDHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000271600588 329706829 /nfs/dbraw/zinc/70/68/29/329706829.db2.gz ZHCNSVAUGKJTQP-ZDUSSCGKSA-N 0 3 356.348 2.371 20 30 FEEDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1N1CCCC1 ZINC000274012235 329908703 /nfs/dbraw/zinc/90/87/03/329908703.db2.gz KZGYSKMJYHXUER-FHLIZLRMSA-N 0 3 358.511 2.397 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)CC2)o1 ZINC000276415346 330149791 /nfs/dbraw/zinc/14/97/91/330149791.db2.gz JBHRHMMEJDIWDQ-CZUORRHYSA-N 0 3 359.474 2.012 20 30 FEEDHN C[C@@H]1[C@@H](NCc2cnc3ccc(C#N)cn23)CC(=O)N1Cc1ccccc1 ZINC000367046813 330210974 /nfs/dbraw/zinc/21/09/74/330210974.db2.gz BXYKYAYJZMAPTE-BEFAXECRSA-N 0 3 359.433 2.485 20 30 FEEDHN C=C(C)CNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000156518438 545632337 /nfs/dbraw/zinc/63/23/37/545632337.db2.gz DNSVXFGOYDAXRE-SFHVURJKSA-N 0 3 357.502 2.201 20 30 FEEDHN CC(=O)N1CC[C@@H](CN(C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000156708770 545651526 /nfs/dbraw/zinc/65/15/26/545651526.db2.gz BFGJKFOJBHHBGL-WXNRQPJFSA-N 0 3 362.518 2.106 20 30 FEEDHN CCC(C)(C)[C@H]1CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000156922554 545676852 /nfs/dbraw/zinc/67/68/52/545676852.db2.gz LEJOMENLCKOJDL-QGZVFWFLSA-N 0 3 373.501 2.404 20 30 FEEDHN CC(C)N1CCC(N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000478145005 561160878 /nfs/dbraw/zinc/16/08/78/561160878.db2.gz FSIYMUNNVSXIJA-UHFFFAOYSA-N 0 3 353.463 2.332 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2Cc2ccccn2)CC1 ZINC000162577604 546139840 /nfs/dbraw/zinc/13/98/40/546139840.db2.gz SUVGJDQGYXTLIH-UHFFFAOYSA-N 0 3 354.458 2.488 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCCc3ccc(F)cc32)CC1 ZINC000171621171 546216512 /nfs/dbraw/zinc/21/65/12/546216512.db2.gz GVPODFXTEKUMMP-UHFFFAOYSA-N 0 3 359.445 2.262 20 30 FEEDHN C=CCN1CCC(NC(=O)CSc2nncn2-c2ccc(C)cc2)CC1 ZINC000171719948 546220201 /nfs/dbraw/zinc/22/02/01/546220201.db2.gz CWFOCTRMMCSCQT-UHFFFAOYSA-N 0 3 371.510 2.434 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000171739770 546223246 /nfs/dbraw/zinc/22/32/46/546223246.db2.gz WAVJPERLKUFPLM-UHFFFAOYSA-N 0 3 358.486 2.291 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)NCC(C)(C)C#N)CC1 ZINC000479319883 561187287 /nfs/dbraw/zinc/18/72/87/561187287.db2.gz USAMZUIJHVGKRG-UHFFFAOYSA-N 0 3 357.502 2.173 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000172075714 546235481 /nfs/dbraw/zinc/23/54/81/546235481.db2.gz JCQGYJRWQXFQOI-SFHVURJKSA-N 0 3 356.470 2.132 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1 ZINC000173580523 546283728 /nfs/dbraw/zinc/28/37/28/546283728.db2.gz GFPRSPPPBIACGX-GOSISDBHSA-N 0 3 370.497 2.091 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000174581689 546299024 /nfs/dbraw/zinc/29/90/24/546299024.db2.gz RTHQOUSTPBMEPV-UHFFFAOYSA-N 0 3 358.442 2.204 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)CCCO)cc1 ZINC000480998115 561222547 /nfs/dbraw/zinc/22/25/47/561222547.db2.gz LEUPAXLJESUJJZ-CYBMUJFWSA-N 0 3 367.471 2.293 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CCC[C@H]2CN2CCCCC2)c(F)c1 ZINC000481029140 561223270 /nfs/dbraw/zinc/22/32/70/561223270.db2.gz ZLLNVPPEGFZOOU-KRWDZBQOSA-N 0 3 365.474 2.477 20 30 FEEDHN C=CCC[C@H](NCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000180047477 547043177 /nfs/dbraw/zinc/04/31/77/547043177.db2.gz WYNIVMIAHHNMDD-ROUUACIJSA-N 0 3 364.511 2.319 20 30 FEEDHN C=CCC[C@H](NCC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000180439817 547108382 /nfs/dbraw/zinc/10/83/82/547108382.db2.gz NBIIAZMTMUAGBV-IBGZPJMESA-N 0 3 365.481 2.422 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CCOCC2)cc1 ZINC000483534348 561279158 /nfs/dbraw/zinc/27/91/58/561279158.db2.gz RZXMGROOLWSGSG-CYBMUJFWSA-N 0 3 365.455 2.311 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(CC(=O)N(C)C)CC1 ZINC000182210310 547453904 /nfs/dbraw/zinc/45/39/04/547453904.db2.gz WMJVMBFKTNTFSQ-LJQANCHMSA-N 0 3 360.498 2.345 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H](Cn4cncn4)C3)C2=O)cc1 ZINC000182790740 547553143 /nfs/dbraw/zinc/55/31/43/547553143.db2.gz AHBQWPBKFBGUPB-PKOBYXMFSA-N 0 3 364.453 2.057 20 30 FEEDHN N#Cc1ccc(CCC(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 ZINC000183414551 547654537 /nfs/dbraw/zinc/65/45/37/547654537.db2.gz UMWHZZRWJKHTIB-NRFANRHFSA-N 0 3 363.461 2.374 20 30 FEEDHN CCN(CCO)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000183947582 547743523 /nfs/dbraw/zinc/74/35/23/547743523.db2.gz OAABVVJEPXJRLK-UHFFFAOYSA-N 0 3 367.449 2.181 20 30 FEEDHN COC(=O)c1coc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000184041720 547760071 /nfs/dbraw/zinc/76/00/71/547760071.db2.gz RGZZPMXURPHADA-UHFFFAOYSA-N 0 3 355.394 2.142 20 30 FEEDHN C=CCOc1cccc(CN2CCC(n3cc(C(=O)OC)nn3)CC2)c1 ZINC000184759993 547875661 /nfs/dbraw/zinc/87/56/61/547875661.db2.gz UZPLMFOIKMBSIB-UHFFFAOYSA-N 0 3 356.426 2.467 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1CN(C)C ZINC000185410174 547980716 /nfs/dbraw/zinc/98/07/16/547980716.db2.gz PNSAWSKIHIWTIY-UHFFFAOYSA-N 0 3 359.451 2.107 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185861868 548046581 /nfs/dbraw/zinc/04/65/81/548046581.db2.gz OOGIMOQXTLLBEJ-UHFFFAOYSA-N 0 3 358.486 2.034 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000186037491 548076570 /nfs/dbraw/zinc/07/65/70/548076570.db2.gz RVVJYCDYOAKACX-HNNXBMFYSA-N 0 3 360.506 2.262 20 30 FEEDHN N#CCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000186722970 548180775 /nfs/dbraw/zinc/18/07/75/548180775.db2.gz OKPOMNROKPKETG-UHFFFAOYSA-N 0 3 366.259 2.322 20 30 FEEDHN C=CCN1CCC(NC(=O)NCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000188570684 548282359 /nfs/dbraw/zinc/28/23/59/548282359.db2.gz KXGYMBYFTZVVAY-UHFFFAOYSA-N 0 3 362.440 2.210 20 30 FEEDHN CCc1nnc(C2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)[nH]1 ZINC000190692304 548332442 /nfs/dbraw/zinc/33/24/42/548332442.db2.gz WVZUTLIJQNGCDJ-CQSZACIVSA-N 0 3 358.490 2.278 20 30 FEEDHN C#CCOc1ccc(CN[C@H]2CCCN(c3ccnn3CC)C2=O)cc1 ZINC000191639732 548348163 /nfs/dbraw/zinc/34/81/63/548348163.db2.gz VVVMVERQCLFOBW-SFHVURJKSA-N 0 3 352.438 2.200 20 30 FEEDHN COc1cccc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1O ZINC000192242704 548361743 /nfs/dbraw/zinc/36/17/43/548361743.db2.gz OCVQKDDIQWSECI-QGZVFWFLSA-N 0 3 351.406 2.163 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000192893824 548375022 /nfs/dbraw/zinc/37/50/22/548375022.db2.gz OEMNCJXHDRJCPX-UHFFFAOYSA-N 0 3 371.485 2.210 20 30 FEEDHN C[C@H]1CCNC(=O)[C@H]1NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193630456 548392084 /nfs/dbraw/zinc/39/20/84/548392084.db2.gz DRTNHWPZSMSBCX-SJCJKPOMSA-N 0 3 374.510 2.331 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCCS(C)(=O)=O ZINC000487973076 561380413 /nfs/dbraw/zinc/38/04/13/561380413.db2.gz FOCLCGWATOJNDH-UHFFFAOYSA-N 0 3 372.560 2.019 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CC[C@H]21 ZINC000246218078 549082057 /nfs/dbraw/zinc/08/20/57/549082057.db2.gz UFUMQZOVZUFPNR-IUODEOHRSA-N 0 3 353.875 2.316 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000247368023 549324445 /nfs/dbraw/zinc/32/44/45/549324445.db2.gz OYUGQTIYALVJKN-CRAIPNDOSA-N 0 3 373.476 2.258 20 30 FEEDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489868427 561420901 /nfs/dbraw/zinc/42/09/01/561420901.db2.gz ZKDSQCNQPNMJNF-UHFFFAOYSA-N 0 3 350.488 2.148 20 30 FEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000252656446 549676081 /nfs/dbraw/zinc/67/60/81/549676081.db2.gz GKKIFKIAGQWFQX-SJORKVTESA-N 0 3 357.502 2.406 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@](C)(N)c2ccc(Br)cc2)CC1 ZINC000261629414 549736522 /nfs/dbraw/zinc/73/65/22/549736522.db2.gz BQFLQFBJYDIUQF-QGZVFWFLSA-N 0 3 366.303 2.390 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN1CCNC[C@H]1c1nccn1C ZINC000261860474 549763424 /nfs/dbraw/zinc/76/34/24/549763424.db2.gz ZGMAPCIYSJTLPQ-INIZCTEOSA-N 0 3 371.510 2.283 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000264309548 549993966 /nfs/dbraw/zinc/99/39/66/549993966.db2.gz AIUWGECXTIMBHE-HNNXBMFYSA-N 0 3 359.445 2.335 20 30 FEEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264914568 550003586 /nfs/dbraw/zinc/00/35/86/550003586.db2.gz GFMSGXVBYDDPPW-NRFANRHFSA-N 0 3 368.481 2.031 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000265944121 550015492 /nfs/dbraw/zinc/01/54/92/550015492.db2.gz HUBLQEFJYUILBD-OAHLLOKOSA-N 0 3 355.841 2.462 20 30 FEEDHN COc1ccc(NC(=O)CON=C(N)c2ccc(CN(C)C)cc2)cc1 ZINC000267004365 550026852 /nfs/dbraw/zinc/02/68/52/550026852.db2.gz IXMVBHPDBHUBGS-UHFFFAOYSA-N 0 3 356.426 2.032 20 30 FEEDHN COCCC1(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000269074345 550151210 /nfs/dbraw/zinc/15/12/10/550151210.db2.gz AUAQHJDVSBPAFM-UHFFFAOYSA-N 0 3 358.486 2.448 20 30 FEEDHN C=CCNc1ncc(C(=O)NCC2(N3CCCC3)CCOCC2)s1 ZINC000269506729 550202607 /nfs/dbraw/zinc/20/26/07/550202607.db2.gz GZICJIBZLBDRMG-UHFFFAOYSA-N 0 3 350.488 2.116 20 30 FEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000269699957 550218324 /nfs/dbraw/zinc/21/83/24/550218324.db2.gz YCEJWVUBSYBOTQ-QUCCMNQESA-N 0 3 352.482 2.123 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2CCC(=O)NC)CC1 ZINC000493787410 561458217 /nfs/dbraw/zinc/45/82/17/561458217.db2.gz MGUYDTLJOOPXSV-KRWDZBQOSA-N 0 3 350.507 2.117 20 30 FEEDHN CC(C)N1CCN(C2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000270675607 550295693 /nfs/dbraw/zinc/29/56/93/550295693.db2.gz XXFFXKZPOZPHBW-UHFFFAOYSA-N 0 3 369.513 2.258 20 30 FEEDHN N#CCCn1ccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)n1 ZINC000271067095 550337042 /nfs/dbraw/zinc/33/70/42/550337042.db2.gz XIWHPUBPDSUECU-UHFFFAOYSA-N 0 3 367.453 2.253 20 30 FEEDHN CCN1CCN(CCCNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494151089 561463508 /nfs/dbraw/zinc/46/35/08/561463508.db2.gz XWSZYMKCCBLABK-HXUWFJFHSA-N 0 3 372.513 2.105 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000494267856 561466014 /nfs/dbraw/zinc/46/60/14/561466014.db2.gz KANRYJWDSCTGRU-NHCUHLMSSA-N 0 3 371.525 2.292 20 30 FEEDHN C[C@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)c(F)c1 ZINC000271908155 550410036 /nfs/dbraw/zinc/41/00/36/550410036.db2.gz CUFXYWRJZSNXRT-INIZCTEOSA-N 0 3 368.460 2.350 20 30 FEEDHN C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C1=CCN(C)CC1 ZINC000272757934 550469489 /nfs/dbraw/zinc/46/94/89/550469489.db2.gz FQAZPRMHFYHXFV-HNNXBMFYSA-N 0 3 354.454 2.434 20 30 FEEDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1=CCN(C)CC1 ZINC000272958257 550478307 /nfs/dbraw/zinc/47/83/07/550478307.db2.gz NGWHLHRQGUPDSU-FXAWDEMLSA-N 0 3 367.497 2.056 20 30 FEEDHN COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000274138866 550524634 /nfs/dbraw/zinc/52/46/34/550524634.db2.gz WYKSTPROQVHJTC-SQNIBIBYSA-N 0 3 359.495 2.284 20 30 FEEDHN C=CCCCCNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000274493029 550540209 /nfs/dbraw/zinc/54/02/09/550540209.db2.gz HPDMEGAVVMLHSU-UHFFFAOYSA-N 0 3 358.486 2.240 20 30 FEEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](O)CC1 ZINC000275870652 550574838 /nfs/dbraw/zinc/57/48/38/550574838.db2.gz NSPHNLFCYLHECG-QAQDUYKDSA-N 0 3 368.399 2.408 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000275895670 550575136 /nfs/dbraw/zinc/57/51/36/550575136.db2.gz QFNXLVFHIMNLJX-CABCVRRESA-N 0 3 372.469 2.105 20 30 FEEDHN C[C@@H]1CN(CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCCO1 ZINC000277641611 550695544 /nfs/dbraw/zinc/69/55/44/550695544.db2.gz SAKGPHOFUSSQPR-MRXNPFEDSA-N 0 3 359.470 2.333 20 30 FEEDHN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)c1 ZINC000278398547 550781314 /nfs/dbraw/zinc/78/13/14/550781314.db2.gz BIDSUHAPKZJYCF-IBGZPJMESA-N 0 3 366.465 2.362 20 30 FEEDHN OCC[C@@H](NCC#CCN[C@H](CCO)c1ccccc1)c1ccccc1 ZINC000278693259 550811909 /nfs/dbraw/zinc/81/19/09/550811909.db2.gz SKGYVEQRRSHBOJ-FGZHOGPDSA-N 0 3 352.478 2.416 20 30 FEEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279173035 550861647 /nfs/dbraw/zinc/86/16/47/550861647.db2.gz AIKLETLVMJPPPC-WMZOPIPTSA-N 0 3 359.424 2.475 20 30 FEEDHN CN(CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000279221807 550866474 /nfs/dbraw/zinc/86/64/74/550866474.db2.gz CWUPSVZBPWIKJB-HNNXBMFYSA-N 0 3 352.360 2.241 20 30 FEEDHN CCOCCOCCN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279485527 550895537 /nfs/dbraw/zinc/89/55/37/550895537.db2.gz XJKZKRRZPFGDOO-UHFFFAOYSA-N 0 3 357.458 2.344 20 30 FEEDHN CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280792933 551033075 /nfs/dbraw/zinc/03/30/75/551033075.db2.gz FUIIIECQXGAADD-RTBURBONSA-N 0 3 366.465 2.251 20 30 FEEDHN CN(CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000280902780 551044175 /nfs/dbraw/zinc/04/41/75/551044175.db2.gz MZNBSERVEXQUNS-INIZCTEOSA-N 0 3 356.426 2.224 20 30 FEEDHN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC2CC2)CC1 ZINC000283077779 551308028 /nfs/dbraw/zinc/30/80/28/551308028.db2.gz XXVNQPFXJXXQAE-UHFFFAOYSA-N 0 3 352.486 2.372 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000283456595 551369166 /nfs/dbraw/zinc/36/91/66/551369166.db2.gz DKHRNJVFHFTDTD-QGZVFWFLSA-N 0 3 357.498 2.281 20 30 FEEDHN N#Cc1ccc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000498103322 561516116 /nfs/dbraw/zinc/51/61/16/561516116.db2.gz ZOFHALQGFNYAKQ-UHFFFAOYSA-N 0 3 362.477 2.496 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)C(C)C ZINC000284880967 551657725 /nfs/dbraw/zinc/65/77/25/551657725.db2.gz VTMCTQRFPZMOEC-CQSZACIVSA-N 0 3 364.877 2.488 20 30 FEEDHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000285702944 551798215 /nfs/dbraw/zinc/79/82/15/551798215.db2.gz PAVCWIWCJADBME-GDBMZVCRSA-N 0 3 363.483 2.196 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCn2cc(Br)cn2)cc1 ZINC000286293680 551870970 /nfs/dbraw/zinc/87/09/70/551870970.db2.gz DFQZPKCNGKTFNH-CQSZACIVSA-N 0 3 372.226 2.016 20 30 FEEDHN N#CC1(F)CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000499114318 561543730 /nfs/dbraw/zinc/54/37/30/561543730.db2.gz XLFBHTNUCPVGSR-UHFFFAOYSA-N 0 3 374.460 2.181 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@H](C)c2sc(C)nc2C)CC1 ZINC000286338993 551876233 /nfs/dbraw/zinc/87/62/33/551876233.db2.gz AWQHSJVBLVGEOL-CYBMUJFWSA-N 0 3 364.515 2.046 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](C)Cc2cccs2)CC1 ZINC000286391259 551882611 /nfs/dbraw/zinc/88/26/11/551882611.db2.gz DHUAZOJFGUNLNF-HNNXBMFYSA-N 0 3 363.527 2.200 20 30 FEEDHN C#CCCCC(=O)NCCN(CCN1CCCCC1)C(=O)CCCC#C ZINC000286672496 551912954 /nfs/dbraw/zinc/91/29/54/551912954.db2.gz ZAFOQZQTIJRQOM-UHFFFAOYSA-N 0 3 359.514 2.024 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 ZINC000286698561 551916244 /nfs/dbraw/zinc/91/62/44/551916244.db2.gz PURCAOOOFPHXIV-QGZVFWFLSA-N 0 3 373.497 2.035 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CCN(CC=C)CC1 ZINC000286834677 551931448 /nfs/dbraw/zinc/93/14/48/551931448.db2.gz XRVWBFXIDZLXHJ-UHFFFAOYSA-N 0 3 355.482 2.010 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)CC(C)(C)C)cc1 ZINC000287141904 551968676 /nfs/dbraw/zinc/96/86/76/551968676.db2.gz LRIGDZZZCBVPTC-GXTWGEPZSA-N 0 3 367.471 2.291 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H]3CCC[C@H]32)cc1 ZINC000287343224 551991890 /nfs/dbraw/zinc/99/18/90/551991890.db2.gz PMKYOADXLMDGED-WQVCFCJDSA-N 0 3 363.439 2.158 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000288272615 552123553 /nfs/dbraw/zinc/12/35/53/552123553.db2.gz UVKQGBLHELMTSM-OAQYLSRUSA-N 0 3 369.509 2.375 20 30 FEEDHN O=C(CN[C@@H](CO)C1CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000289718538 552367556 /nfs/dbraw/zinc/36/75/56/552367556.db2.gz ZBBDTOPGVSZLFT-KRWDZBQOSA-N 0 3 368.399 2.314 20 30 FEEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289722129 552367931 /nfs/dbraw/zinc/36/79/31/552367931.db2.gz IOEKNGHGJGGKAC-UHFFFAOYSA-N 0 3 372.494 2.486 20 30 FEEDHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000290420169 552476275 /nfs/dbraw/zinc/47/62/75/552476275.db2.gz VEJKJCNIDHJJRI-CQSZACIVSA-N 0 3 362.499 2.476 20 30 FEEDHN C=CCn1c(SC[C@H](O)CN(C)C2CC2)nc2sccc2c1=O ZINC000290499286 552489031 /nfs/dbraw/zinc/48/90/31/552489031.db2.gz ANKHHERHLQEBAL-GFCCVEGCSA-N 0 3 351.497 2.191 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cc(C)nc(N3CCCC3)c2)CC1 ZINC000290786198 552537697 /nfs/dbraw/zinc/53/76/97/552537697.db2.gz SKTFTNLWWQQIIZ-UHFFFAOYSA-N 0 3 357.502 2.440 20 30 FEEDHN CON(C)C(=O)C1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000291250446 552606577 /nfs/dbraw/zinc/60/65/77/552606577.db2.gz LYDZDLFNNNZIPZ-UHFFFAOYSA-N 0 3 367.453 2.191 20 30 FEEDHN CN(C)[C@@]1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCSC1 ZINC000293317749 552810873 /nfs/dbraw/zinc/81/08/73/552810873.db2.gz UTRKASAMFCNAEL-CQSZACIVSA-N 0 3 358.389 2.139 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1SC ZINC000293340491 552813058 /nfs/dbraw/zinc/81/30/58/552813058.db2.gz KAEVFFXLASSFAJ-UHFFFAOYSA-N 0 3 353.875 2.072 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000293856438 552862825 /nfs/dbraw/zinc/86/28/25/552862825.db2.gz AXBBUGHWNSKVAM-UHFFFAOYSA-N 0 3 359.470 2.487 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000294085326 552880895 /nfs/dbraw/zinc/88/08/95/552880895.db2.gz XDQDPWANKROONC-UHFFFAOYSA-N 0 3 351.406 2.415 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000294537507 552914151 /nfs/dbraw/zinc/91/41/51/552914151.db2.gz VQALWJBXDZBWDW-QGZVFWFLSA-N 0 3 351.447 2.087 20 30 FEEDHN C=CCc1cc(CNCC2(OCCOC)CCOCC2)cc(OC)c1O ZINC000294772938 552933158 /nfs/dbraw/zinc/93/31/58/552933158.db2.gz KJSUXZRUNIQYTI-UHFFFAOYSA-N 0 3 365.470 2.431 20 30 FEEDHN C#CCO[C@@H](C)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000295322654 552987299 /nfs/dbraw/zinc/98/72/99/552987299.db2.gz OWPGOJRBGZKLAE-SFHVURJKSA-N 0 3 358.482 2.212 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000502561178 561621091 /nfs/dbraw/zinc/62/10/91/561621091.db2.gz BNLKAIKXHFYJIP-HUUCEWRRSA-N 0 3 358.410 2.472 20 30 FEEDHN C[C@H]1CN(C2CC2)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000296695559 553199179 /nfs/dbraw/zinc/19/91/79/553199179.db2.gz KFRWRSHBEBYKJM-OXJNMPFZSA-N 0 3 352.482 2.470 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000296863015 553222046 /nfs/dbraw/zinc/22/20/46/553222046.db2.gz KQEAJIJUWKWDGJ-QGZVFWFLSA-N 0 3 373.888 2.417 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000296932574 553231527 /nfs/dbraw/zinc/23/15/27/553231527.db2.gz SJGAZIVNLPCACY-KRWDZBQOSA-N 0 3 356.470 2.432 20 30 FEEDHN C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN(C)C ZINC000298250782 553403849 /nfs/dbraw/zinc/40/38/49/553403849.db2.gz DOPOLABGGSVIGJ-VQIMIIECSA-N 0 3 357.498 2.220 20 30 FEEDHN COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCO1 ZINC000298448461 553425886 /nfs/dbraw/zinc/42/58/86/553425886.db2.gz HHQNRSDKBIIPQR-LSDHHAIUSA-N 0 3 363.483 2.221 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)C(C)C ZINC000298707459 553461299 /nfs/dbraw/zinc/46/12/99/553461299.db2.gz VJNMXOMYQDOQDZ-HNNXBMFYSA-N 0 3 360.483 2.373 20 30 FEEDHN C#Cc1cccc(NC(=O)NCCCN2CCN(c3ccncc3)CC2)c1 ZINC000299491244 553570966 /nfs/dbraw/zinc/57/09/66/553570966.db2.gz JNWRBJRDBSCPOO-UHFFFAOYSA-N 0 3 363.465 2.397 20 30 FEEDHN COc1ccc([C@H](C/N=C/c2c(O)c(C)ncc2CO)N(C)C)cc1OC ZINC000299505536 553573024 /nfs/dbraw/zinc/57/30/24/553573024.db2.gz VHSMRJKXYOHMLF-GVLJNOETSA-N 0 3 373.453 2.327 20 30 FEEDHN COc1ccc([C@H](C/N=C/c2c([O-])c(C)ncc2CO)[NH+](C)C)cc1OC ZINC000299505536 553573025 /nfs/dbraw/zinc/57/30/25/553573025.db2.gz VHSMRJKXYOHMLF-GVLJNOETSA-N 0 3 373.453 2.327 20 30 FEEDHN CN1CCC[C@H](CNC(=O)N2CC[C@](F)(CO)C2)[C@@H]1c1cccs1 ZINC000328702274 553809693 /nfs/dbraw/zinc/80/96/93/553809693.db2.gz NSTHTFUKMZLSTG-FRFSOERESA-N 0 3 355.479 2.451 20 30 FEEDHN C[C@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)N1CCC(C)CC1 ZINC000328719776 553812099 /nfs/dbraw/zinc/81/20/99/553812099.db2.gz VTOBAJRRSXLXFO-FGTMMUONSA-N 0 3 367.534 2.178 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328760766 553818174 /nfs/dbraw/zinc/81/81/74/553818174.db2.gz XSLONVNNDHBRAF-ZBFHGGJFSA-N 0 3 364.490 2.127 20 30 FEEDHN O=C(Nc1ccc(Cl)cn1)C1CCN(CCN2CCOCC2)CC1 ZINC000328843650 553831211 /nfs/dbraw/zinc/83/12/11/553831211.db2.gz QRVHSXZTXXCJGD-UHFFFAOYSA-N 0 3 352.866 2.367 20 30 FEEDHN CN1C[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@@H](c2ccccc2)C1 ZINC000328959675 553853544 /nfs/dbraw/zinc/85/35/44/553853544.db2.gz KCTMYDZVNBABEY-XDNAFOTISA-N 0 3 369.465 2.216 20 30 FEEDHN Cn1nccc1[C@H]1[C@H](C(=O)NCC2=CCN(C)CC2)CCC(=O)N1C1CC1 ZINC000328966375 553855070 /nfs/dbraw/zinc/85/50/70/553855070.db2.gz MVSMXTKBMMPWNE-VQIMIIECSA-N 0 3 371.485 2.081 20 30 FEEDHN COc1ccc2c(c1)OC[C@@H](NC(=O)N1CCN(C3CCCC3)CC1)C2 ZINC000328988160 553859835 /nfs/dbraw/zinc/85/98/35/553859835.db2.gz HNKFTUJYQUMTIT-INIZCTEOSA-N 0 3 359.470 2.473 20 30 FEEDHN CN(C(=O)N[C@H]1CCN(C2CC2)C1)C1CCN(CCc2ccccn2)CC1 ZINC000329284063 553918024 /nfs/dbraw/zinc/91/80/24/553918024.db2.gz FXWQDLPNOKGULD-SFHVURJKSA-N 0 3 371.529 2.171 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)[C@H]2C1 ZINC000329464658 553951846 /nfs/dbraw/zinc/95/18/46/553951846.db2.gz VDHNJWKYMHPDDF-KYJSFNMBSA-N 0 3 374.460 2.261 20 30 FEEDHN C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C1=CCN(C)CC1 ZINC000329533744 553963205 /nfs/dbraw/zinc/96/32/05/553963205.db2.gz YFERMKKRYWLKES-AWEZNQCLSA-N 0 3 363.483 2.182 20 30 FEEDHN O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000329548870 553965537 /nfs/dbraw/zinc/96/55/37/553965537.db2.gz BIWCOPPWSOEISQ-ZBFHGGJFSA-N 0 3 362.474 2.231 20 30 FEEDHN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000329548870 553965538 /nfs/dbraw/zinc/96/55/38/553965538.db2.gz BIWCOPPWSOEISQ-ZBFHGGJFSA-N 0 3 362.474 2.231 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H](C)C2CCN(C)CC2)[C@]12CCCO2 ZINC000329551176 553966195 /nfs/dbraw/zinc/96/61/95/553966195.db2.gz FUBDAIAYYZOLNI-NOCIGQNYSA-N 0 3 353.507 2.289 20 30 FEEDHN O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000329620072 553977788 /nfs/dbraw/zinc/97/77/88/553977788.db2.gz MMXZXLXAJOCLMC-HOTGVXAUSA-N 0 3 374.460 2.405 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)NCC[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000329664194 553984496 /nfs/dbraw/zinc/98/44/96/553984496.db2.gz QFQVBXHMZQRGIR-JFIYKMOQSA-N 0 3 353.507 2.148 20 30 FEEDHN C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000329667916 553985262 /nfs/dbraw/zinc/98/52/62/553985262.db2.gz RTTYVHLRRZXALM-DZGCQCFKSA-N 0 3 374.441 2.476 20 30 FEEDHN CN1CCC[C@H](CNC(=O)NCC(=O)N2CCCC2)[C@H]1c1cccs1 ZINC000329686807 553988773 /nfs/dbraw/zinc/98/87/73/553988773.db2.gz BFNBJFXSTDERHS-PBHICJAKSA-N 0 3 364.515 2.257 20 30 FEEDHN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)N(C(C)=O)C1 ZINC000329881986 554024071 /nfs/dbraw/zinc/02/40/71/554024071.db2.gz PGQOJSGTWMZSIA-KLIQENQMSA-N 0 3 359.470 2.414 20 30 FEEDHN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329943493 554036647 /nfs/dbraw/zinc/03/66/47/554036647.db2.gz HTAPWNITLQFGPD-AWEZNQCLSA-N 0 3 356.426 2.076 20 30 FEEDHN CCN1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000329973686 554042336 /nfs/dbraw/zinc/04/23/36/554042336.db2.gz WYGNJTFQICCZAU-DLBZAZTESA-N 0 3 362.522 2.123 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn2c(n1)CCCC2 ZINC000507527619 561731868 /nfs/dbraw/zinc/73/18/68/561731868.db2.gz HOBUVEJPWANZMV-UHFFFAOYSA-N 0 3 351.454 2.295 20 30 FEEDHN C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@]2(CCCOC2)O1 ZINC000330099737 554064537 /nfs/dbraw/zinc/06/45/37/554064537.db2.gz DJKPLDXZGMRTTM-QFUCXCTJSA-N 0 3 373.497 2.445 20 30 FEEDHN CC(C(=O)NCc1nc(C2CC2)cs1)S(=O)(=O)C1CCOCC1 ZINC000330124775 554069133 /nfs/dbraw/zinc/06/91/33/554069133.db2.gz LOXZKTIAPVLYIR-SNVBAGLBSA-N 0 3 358.485 2.459 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000330261777 554095396 /nfs/dbraw/zinc/09/53/96/554095396.db2.gz PIXASAAHBKHGHG-BZZMCLGOSA-N 0 3 363.502 2.043 20 30 FEEDHN Cc1nc(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)sc1C ZINC000330273886 554096988 /nfs/dbraw/zinc/09/69/88/554096988.db2.gz ZWBGCXJOKHJENX-GFCCVEGCSA-N 0 3 352.504 2.359 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000330325583 554105393 /nfs/dbraw/zinc/10/53/93/554105393.db2.gz URZHWAMHLRKCJJ-GOEBONIOSA-N 0 3 353.507 2.432 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000330325585 554105620 /nfs/dbraw/zinc/10/56/20/554105620.db2.gz URZHWAMHLRKCJJ-ZBFHGGJFSA-N 0 3 353.507 2.432 20 30 FEEDHN C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000330379119 554113245 /nfs/dbraw/zinc/11/32/45/554113245.db2.gz GMWKIDVAMSKTCN-JKSUJKDBSA-N 0 3 364.515 2.138 20 30 FEEDHN CC(C)C(=O)NC1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000330482340 554127480 /nfs/dbraw/zinc/12/74/80/554127480.db2.gz RJXHTZMJVBWSRQ-HZPDHXFCSA-N 0 3 352.523 2.257 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCC[C@H]2CN(C)C)C1 ZINC000330932074 554190673 /nfs/dbraw/zinc/19/06/73/554190673.db2.gz WVDUFZHAJDUVQT-SJORKVTESA-N 0 3 352.523 2.211 20 30 FEEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCO[C@H](C#N)C1 ZINC000331979090 554356212 /nfs/dbraw/zinc/35/62/12/554356212.db2.gz FBWJRKWBXWEQRK-MOPGFXCFSA-N 0 3 370.497 2.393 20 30 FEEDHN CO[C@@H]1CC[C@@H]2OCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000332185754 554396687 /nfs/dbraw/zinc/39/66/87/554396687.db2.gz WQLUBARVPCGUCT-MKXGPGLRSA-N 0 3 353.422 2.035 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1N1CCCC1 ZINC000332846779 554529279 /nfs/dbraw/zinc/52/92/79/554529279.db2.gz HRXBQHCJKPDYSB-YESZJQIVSA-N 0 3 364.559 2.229 20 30 FEEDHN C[C@H]1COCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000510616494 561840838 /nfs/dbraw/zinc/84/08/38/561840838.db2.gz OPCPXEAWRZQOFY-LPHOPBHVSA-N 0 3 358.486 2.304 20 30 FEEDHN C[C@@H]1[C@H](C)NCCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000333822679 554646777 /nfs/dbraw/zinc/64/67/77/554646777.db2.gz RLIMUJAVNNIJKS-HOBHPSKFSA-N 0 3 357.458 2.035 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C2CCN(Cc3ccccc3C)CC2)C1=O ZINC000348504684 554687416 /nfs/dbraw/zinc/68/74/16/554687416.db2.gz YTNVZBNQXAMWTR-SFHVURJKSA-N 0 3 357.454 2.082 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000360638726 554883191 /nfs/dbraw/zinc/88/31/91/554883191.db2.gz OKCFQNVKXHNOKH-KRWDZBQOSA-N 0 3 360.845 2.485 20 30 FEEDHN C=CCn1c(C)cc(C(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1C ZINC000362701691 554981600 /nfs/dbraw/zinc/98/16/00/554981600.db2.gz JDWJUCAWSHJWFE-DYESRHJHSA-N 0 3 372.557 2.431 20 30 FEEDHN C#CC[C@H](NC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1)c1ccccc1 ZINC000362729344 554984860 /nfs/dbraw/zinc/98/48/60/554984860.db2.gz XXMJWLMYTOGUIG-CTNGQTDRSA-N 0 3 368.525 2.420 20 30 FEEDHN C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000511771449 561880256 /nfs/dbraw/zinc/88/02/56/561880256.db2.gz RSEFBJHOXLDBCD-KSZLIROESA-N 0 3 354.498 2.464 20 30 FEEDHN CCN(CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)C1CC1 ZINC000363588289 555142492 /nfs/dbraw/zinc/14/24/92/555142492.db2.gz FYJVANJDLOYGSS-KRWDZBQOSA-N 0 3 355.486 2.079 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCCC[C@H]2C(=N)NO)cc1C ZINC000364416224 555309485 /nfs/dbraw/zinc/30/94/85/555309485.db2.gz ONYSUTJCDYZBNC-KRWDZBQOSA-N 0 3 357.458 2.361 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(cn1)OCCC2 ZINC000364694570 555376764 /nfs/dbraw/zinc/37/67/64/555376764.db2.gz KFIBSVJHPLHGPK-UHFFFAOYSA-N 0 3 364.449 2.482 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000365041225 555471423 /nfs/dbraw/zinc/47/14/23/555471423.db2.gz WRCMUGHXIJIZOL-HZPDHXFCSA-N 0 3 370.453 2.003 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cn(CC)nc2-c2cnn(C)c2)CC1 ZINC000365079764 555480095 /nfs/dbraw/zinc/48/00/95/555480095.db2.gz ZWRBKHOEIMXWIP-UHFFFAOYSA-N 0 3 356.474 2.074 20 30 FEEDHN Cc1nnc(C2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)[nH]1 ZINC000365111114 555488101 /nfs/dbraw/zinc/48/81/01/555488101.db2.gz UQGUTRKTMRWTEM-UHFFFAOYSA-N 0 3 358.833 2.456 20 30 FEEDHN CC(C)CN1CCCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000366031695 555732230 /nfs/dbraw/zinc/73/22/30/555732230.db2.gz XKABLXCTXFWTAU-UHFFFAOYSA-N 0 3 373.501 2.244 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NC3(CO)Cc4ccccc4C3)C2=O)cc1 ZINC000366089231 555748145 /nfs/dbraw/zinc/74/81/45/555748145.db2.gz WFILXOCQGMBGAK-HXUWFJFHSA-N 0 3 361.445 2.173 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000366262534 555796152 /nfs/dbraw/zinc/79/61/52/555796152.db2.gz PLWWLFFDEKMULN-UTKZUKDTSA-N 0 3 363.392 2.500 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000366262535 555796276 /nfs/dbraw/zinc/79/62/76/555796276.db2.gz PLWWLFFDEKMULN-UWJYYQICSA-N 0 3 363.392 2.500 20 30 FEEDHN CCN1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000514197751 561963158 /nfs/dbraw/zinc/96/31/58/561963158.db2.gz SKLKYNOFRJVXMJ-UHFFFAOYSA-N 0 3 359.449 2.013 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)CC1 ZINC000366824902 555944490 /nfs/dbraw/zinc/94/44/90/555944490.db2.gz PQFAIJNYQCARBB-UHFFFAOYSA-N 0 3 351.447 2.194 20 30 FEEDHN CN1C(=O)C[C@@H](NCc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(F)cc1 ZINC000366931084 555974161 /nfs/dbraw/zinc/97/41/61/555974161.db2.gz DCMBSWCVWVFQAB-YLJYHZDGSA-N 0 3 363.396 2.407 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc(F)c(C#N)c1 ZINC000367597174 556093050 /nfs/dbraw/zinc/09/30/50/556093050.db2.gz MKDDNURQSZTROA-NRFANRHFSA-N 0 3 367.424 2.406 20 30 FEEDHN C[C@@H](CO)N1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000367826684 556148716 /nfs/dbraw/zinc/14/87/16/556148716.db2.gz PHFUMZVWEYRXOE-NSHDSACASA-N 0 3 364.371 2.417 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000515515259 562013623 /nfs/dbraw/zinc/01/36/23/562013623.db2.gz MZIHIKQVGPQXOS-KRWDZBQOSA-N 0 3 360.479 2.329 20 30 FEEDHN C=CCN(C(=O)c1cc(C(N)=O)cn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000370327115 556840349 /nfs/dbraw/zinc/84/03/49/556840349.db2.gz SURHSKPMYIXORE-GOSISDBHSA-N 0 3 366.465 2.027 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370463090 556879306 /nfs/dbraw/zinc/87/93/06/556879306.db2.gz RKCFFQCAVVVYTJ-QUCCMNQESA-N 0 3 372.513 2.369 20 30 FEEDHN C=CCC[C@@H](O)CN1CCCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000370494444 556889377 /nfs/dbraw/zinc/88/93/77/556889377.db2.gz DRKXSFREHJHDTF-JKSUJKDBSA-N 0 3 352.479 2.002 20 30 FEEDHN CN(C)C[C@H]1CN(C(=O)COc2ccc(C#N)cc2)c2ccccc2O1 ZINC000370503693 556892973 /nfs/dbraw/zinc/89/29/73/556892973.db2.gz WTQOQVMYFJCOMG-KRWDZBQOSA-N 0 3 351.406 2.293 20 30 FEEDHN Cn1cc([C@@H]2C[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)cn1 ZINC000517757844 562097386 /nfs/dbraw/zinc/09/73/86/562097386.db2.gz WDCOIWYCLBMKHT-UHOSZYNNSA-N 0 3 363.421 2.011 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000371871929 557316108 /nfs/dbraw/zinc/31/61/08/557316108.db2.gz FKXPFPJGGRZFEM-KRWDZBQOSA-N 0 3 354.454 2.282 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000518972241 562122263 /nfs/dbraw/zinc/12/22/63/562122263.db2.gz VVHCMVPYQKZKIO-NVXWUHKLSA-N 0 3 361.461 2.235 20 30 FEEDHN Cc1cc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)nn1-c1cccc(C#N)c1 ZINC000372376102 557454542 /nfs/dbraw/zinc/45/45/42/557454542.db2.gz JWHXZYCYARIZDN-QGZVFWFLSA-N 0 3 366.469 2.858 20 30 FEEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCN(CC(C)(C)O)CC1 ZINC000372575532 557509829 /nfs/dbraw/zinc/50/98/29/557509829.db2.gz YATYNMPENLKLLH-SFHVURJKSA-N 0 3 372.513 2.100 20 30 FEEDHN C=CCN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372598773 557516640 /nfs/dbraw/zinc/51/66/40/557516640.db2.gz HGOMAZXDDITJJF-OALUTQOASA-N 0 3 370.497 2.066 20 30 FEEDHN CCS(=O)(=O)N(C)CCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000519572405 562135385 /nfs/dbraw/zinc/13/53/85/562135385.db2.gz QKSPFIIBWAQGEN-UHFFFAOYSA-N 0 3 363.405 2.338 20 30 FEEDHN C[C@H](CO)N1CCCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000372796800 557563776 /nfs/dbraw/zinc/56/37/76/557563776.db2.gz CQWNCQRBWQIOKC-CYBMUJFWSA-N 0 3 352.276 2.209 20 30 FEEDHN Cc1cc(S(=O)(=O)N2C[C@H](CN(C)C)Oc3ccccc32)ccc1C#N ZINC000373046607 557616435 /nfs/dbraw/zinc/61/64/35/557616435.db2.gz OJUGEBHMWSXHAK-INIZCTEOSA-N 0 3 371.462 2.385 20 30 FEEDHN CN(C)CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000519813802 562144953 /nfs/dbraw/zinc/14/49/53/562144953.db2.gz ONZDZWAZXDDAME-KRWDZBQOSA-N 0 3 351.516 2.288 20 30 FEEDHN COC(=O)[C@]12CCC[C@@H]1CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000373403400 557687485 /nfs/dbraw/zinc/68/74/85/557687485.db2.gz HEEDZXBFIYLKCC-HLIPFELVSA-N 0 3 351.406 2.042 20 30 FEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000373703178 557742040 /nfs/dbraw/zinc/74/20/40/557742040.db2.gz SXKALUKGYLZGDU-SBHAEUEKSA-N 0 3 367.449 2.427 20 30 FEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](N2CCCCCC2)C1 ZINC000374455604 557886302 /nfs/dbraw/zinc/88/63/02/557886302.db2.gz BLTDQXMKRPCBQC-DLBZAZTESA-N 0 3 356.536 2.053 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000374559280 557899754 /nfs/dbraw/zinc/89/97/54/557899754.db2.gz FZZQKHHLCWHALI-RBBKRZOGSA-N 0 3 366.461 2.324 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521348782 562174667 /nfs/dbraw/zinc/17/46/67/562174667.db2.gz RYTLWWNQBSDOQO-HOTGVXAUSA-N 0 3 359.449 2.060 20 30 FEEDHN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000375237051 557996542 /nfs/dbraw/zinc/99/65/42/557996542.db2.gz AAPKXNVYVIOWOA-YLJYHZDGSA-N 0 3 367.453 2.212 20 30 FEEDHN Cn1cc(C[C@@H]2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000375819674 558084913 /nfs/dbraw/zinc/08/49/13/558084913.db2.gz ZLKNMGDKUUKHOX-FXAWDEMLSA-N 0 3 363.465 2.352 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(N3CCOCC3)CCCC2)cc1 ZINC000376299025 558154262 /nfs/dbraw/zinc/15/42/62/558154262.db2.gz ADRRRWJOXKVDKR-LJQANCHMSA-N 0 3 366.465 2.002 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000376626795 558199658 /nfs/dbraw/zinc/19/96/58/558199658.db2.gz IHXXVJUXXDNMNY-CAPXZKIUSA-N 0 3 363.439 2.061 20 30 FEEDHN N#CC1(CCCN2CCC[C@H]2C(=O)N2CCSCC2)CCOCC1 ZINC000376627902 558199761 /nfs/dbraw/zinc/19/97/61/558199761.db2.gz QALUCPROPLXZJS-INIZCTEOSA-N 0 3 351.516 2.127 20 30 FEEDHN CN(C(=O)[C@H]1CC12CCN(C[C@H](O)c1ccc(C#N)cc1)CC2)C1CC1 ZINC000377184628 558283858 /nfs/dbraw/zinc/28/38/58/558283858.db2.gz NDPSPYZRQWJLCK-MOPGFXCFSA-N 0 3 353.466 2.315 20 30 FEEDHN Cc1cc(=NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)[nH]n1CCC#N ZINC000377578230 558369669 /nfs/dbraw/zinc/36/96/69/558369669.db2.gz BKELKWNAXHHNNN-SJLPKXTDSA-N 0 3 366.469 2.890 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377578684 558369918 /nfs/dbraw/zinc/36/99/18/558369918.db2.gz AJAVVTZMWFFLAZ-JKSUJKDBSA-N 0 3 358.442 2.330 20 30 FEEDHN CN(C)[C@H]1CCN(C(=O)NCC2CCN(c3ccccc3C#N)CC2)C1 ZINC000377913358 558446929 /nfs/dbraw/zinc/44/69/29/558446929.db2.gz ZMYZFEVKALBNIX-SFHVURJKSA-N 0 3 355.486 2.120 20 30 FEEDHN Cn1c(Cl)cnc1CN1CCCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000378136920 558488710 /nfs/dbraw/zinc/48/87/10/558488710.db2.gz CQGVRCOPANAIRQ-QGZVFWFLSA-N 0 3 373.888 2.186 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 ZINC000378217900 558504385 /nfs/dbraw/zinc/50/43/85/558504385.db2.gz MWYNPUCZIUDTPK-UHFFFAOYSA-N 0 3 372.448 2.877 20 30 FEEDHN C[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000378316991 558528149 /nfs/dbraw/zinc/52/81/49/558528149.db2.gz OMKLQQXVXAYFLP-APWZRJJASA-N 0 3 372.538 2.400 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000378366214 558540122 /nfs/dbraw/zinc/54/01/22/558540122.db2.gz BEZFFXGQHOWLDZ-QGZVFWFLSA-N 0 3 357.498 2.492 20 30 FEEDHN C[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)CCN1C1CCN(C)CC1 ZINC000378371129 558541820 /nfs/dbraw/zinc/54/18/20/558541820.db2.gz PFWSCQRFRQUGOF-MRXNPFEDSA-N 0 3 372.538 2.277 20 30 FEEDHN C[C@@H]1C[C@H](C)C[N@@H+](CCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000523573343 562215460 /nfs/dbraw/zinc/21/54/60/562215460.db2.gz UXSXMYYUCPBIOR-OKILXGFUSA-N 0 3 353.463 2.344 20 30 FEEDHN C[C@@H]1C[C@H](C)C[N@H+](CCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000523573343 562215461 /nfs/dbraw/zinc/21/54/61/562215461.db2.gz UXSXMYYUCPBIOR-OKILXGFUSA-N 0 3 353.463 2.344 20 30 FEEDHN CC(=O)NCC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000378494117 558569019 /nfs/dbraw/zinc/56/90/19/558569019.db2.gz JBKMBMHBFOBYTK-UHFFFAOYSA-N 0 3 351.454 2.307 20 30 FEEDHN C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)N1CCO ZINC000378568022 558584895 /nfs/dbraw/zinc/58/48/95/558584895.db2.gz WAOKYHFWPZDBBO-HDICACEKSA-N 0 3 367.497 2.351 20 30 FEEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409757162 558718540 /nfs/dbraw/zinc/71/85/40/558718540.db2.gz DQFZWLDGAMBVIS-FUHWJXTLSA-N 0 3 366.469 2.081 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000410137713 558741333 /nfs/dbraw/zinc/74/13/33/558741333.db2.gz NYWWQJJXGIXGIJ-CVEARBPZSA-N 0 3 366.531 2.432 20 30 FEEDHN C[C@H]1CCCN1C(=O)CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000525270807 562244594 /nfs/dbraw/zinc/24/45/94/562244594.db2.gz FIBKDQFCGBMPOA-SFHVURJKSA-N 0 3 354.498 2.467 20 30 FEEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000411480551 558901937 /nfs/dbraw/zinc/90/19/37/558901937.db2.gz WCNBCCUNESJAOR-OAHLLOKOSA-N 0 3 363.433 2.272 20 30 FEEDHN N#Cc1cnc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)c(F)c1 ZINC000413286739 559095680 /nfs/dbraw/zinc/09/56/80/559095680.db2.gz ZQTFAZQMCUGMIA-LJQANCHMSA-N 0 3 365.456 2.489 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000526919089 562269297 /nfs/dbraw/zinc/26/92/97/562269297.db2.gz UIZCNHASWIFGGU-ZWKOTPCHSA-N 0 3 364.449 2.290 20 30 FEEDHN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000414934338 559196035 /nfs/dbraw/zinc/19/60/35/559196035.db2.gz UKZJUXNKOQGFRF-UHFFFAOYSA-N 0 3 363.483 2.060 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000527103178 562276529 /nfs/dbraw/zinc/27/65/29/562276529.db2.gz PUEROWNKTLIDSB-ZLPCBKJTSA-N 0 3 371.485 2.284 20 30 FEEDHN N#Cc1ccc(CN(C(=O)C(=O)Nc2ccc3c(c2)CNCC3)C2CC2)cc1 ZINC000415187591 559213148 /nfs/dbraw/zinc/21/31/48/559213148.db2.gz TVCLPZRLHIQQSS-UHFFFAOYSA-N 0 3 374.444 2.334 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCCNCC2)ccc1Oc1ccccc1 ZINC000415312878 559223222 /nfs/dbraw/zinc/22/32/22/559223222.db2.gz UNOLDWQYZJDGLH-UHFFFAOYSA-N 0 3 364.405 2.111 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000527161093 562278561 /nfs/dbraw/zinc/27/85/61/562278561.db2.gz LFCALLTVLHWGQQ-ZWKOTPCHSA-N 0 3 374.448 2.184 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C)CN1 ZINC000415465011 559240018 /nfs/dbraw/zinc/24/00/18/559240018.db2.gz SAUFEKHFXLUGTR-NEPJUHHUSA-N 0 3 358.833 2.611 20 30 FEEDHN CNCc1cccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000415926205 559282886 /nfs/dbraw/zinc/28/28/86/559282886.db2.gz CTNZVJHZEJBGFS-UHFFFAOYSA-N 0 3 350.426 2.027 20 30 FEEDHN CN(C)[C@H](CC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000416207557 559298318 /nfs/dbraw/zinc/29/83/18/559298318.db2.gz WFXATAUXQBVYGN-LJQANCHMSA-N 0 3 363.465 2.295 20 30 FEEDHN N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418441983 559401717 /nfs/dbraw/zinc/40/17/17/559401717.db2.gz DBGGDDFFYJTFRT-SFHVURJKSA-N 0 3 367.428 2.229 20 30 FEEDHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000418893813 559421228 /nfs/dbraw/zinc/42/12/28/559421228.db2.gz QCGADLJAKUCRQE-LADRWXRNSA-N 0 3 370.497 2.372 20 30 FEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000419241344 559433855 /nfs/dbraw/zinc/43/38/55/559433855.db2.gz BXIOLFAAILMMFB-JSGCOSHPSA-N 0 3 360.408 2.423 20 30 FEEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000419382948 559440323 /nfs/dbraw/zinc/44/03/23/559440323.db2.gz ZMSXDGOEJRPPET-YYIAUSFCSA-N 0 3 360.527 2.433 20 30 FEEDHN COC1([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000421037612 559521281 /nfs/dbraw/zinc/52/12/81/559521281.db2.gz SAYONSFACRYDNT-YJBOKZPZSA-N 0 3 357.454 2.227 20 30 FEEDHN CC(C)(CC#N)CNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000422294092 559576289 /nfs/dbraw/zinc/57/62/89/559576289.db2.gz BISZLSVLZAUMES-OAQYLSRUSA-N 0 3 370.497 2.213 20 30 FEEDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000422309035 559577611 /nfs/dbraw/zinc/57/76/11/559577611.db2.gz KMJUMWQDRGJAAA-OAHLLOKOSA-N 0 3 350.507 2.059 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(NC(=O)[C@@H](N)CCCC#N)c1)n1cccn1 ZINC000424106260 559654977 /nfs/dbraw/zinc/65/49/77/559654977.db2.gz XHXKQLGPUDUELA-CJNGLKHVSA-N 0 3 354.414 2.042 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000424107320 559655001 /nfs/dbraw/zinc/65/50/01/559655001.db2.gz NXJCYWHJRJMPBJ-CQSZACIVSA-N 0 3 357.483 2.402 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@@H](N)CCCC#N ZINC000424123011 559655559 /nfs/dbraw/zinc/65/55/59/559655559.db2.gz LDBVQGODNXKVPQ-ZDUSSCGKSA-N 0 3 366.849 2.123 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000424142331 559656005 /nfs/dbraw/zinc/65/60/05/559656005.db2.gz PKNXTZSPFZNWRT-HNNXBMFYSA-N 0 3 355.398 2.486 20 30 FEEDHN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424153177 559656247 /nfs/dbraw/zinc/65/62/47/559656247.db2.gz JREPQZVMFNJLAH-CXAGYDPISA-N 0 3 350.413 2.191 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000424177782 559656746 /nfs/dbraw/zinc/65/67/46/559656746.db2.gz VFBZJWZSWBSNMC-CYBMUJFWSA-N 0 3 368.359 2.488 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000424189557 559657051 /nfs/dbraw/zinc/65/70/51/559657051.db2.gz NQNRRZDVIYVNGE-CYBMUJFWSA-N 0 3 352.232 2.191 20 30 FEEDHN Cc1cc(CN)cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000424447170 559665528 /nfs/dbraw/zinc/66/55/28/559665528.db2.gz UNJPPTYVGVSKSQ-UHFFFAOYSA-N 0 3 350.426 2.075 20 30 FEEDHN C=CCC1(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)CCOCC1 ZINC000424790783 559676712 /nfs/dbraw/zinc/67/67/12/559676712.db2.gz LCYIHUBIRNCALW-JOCHJYFZSA-N 0 3 372.509 2.455 20 30 FEEDHN CN(C)c1ncc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)n1C ZINC000425330394 559697147 /nfs/dbraw/zinc/69/71/47/559697147.db2.gz VMBXCADCEAKISI-UHFFFAOYSA-N 0 3 352.486 2.066 20 30 FEEDHN COc1ccc(CN2CCC3(CNC(=O)N3C)CC2)cc1OCCCC#N ZINC000425374789 559698703 /nfs/dbraw/zinc/69/87/03/559698703.db2.gz SKZLMMYDGWGJKT-UHFFFAOYSA-N 0 3 372.469 2.367 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)nn1 ZINC000425765570 559718409 /nfs/dbraw/zinc/71/84/09/559718409.db2.gz HVFOSGBRWRKULO-QGZVFWFLSA-N 0 3 374.514 2.288 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)nn1 ZINC000425880852 559723910 /nfs/dbraw/zinc/72/39/10/559723910.db2.gz SJRCAHVUPNXYBO-INIZCTEOSA-N 0 3 362.865 2.220 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425995179 559727217 /nfs/dbraw/zinc/72/72/17/559727217.db2.gz TVVOZFJCHZORFE-KNQAVFIVSA-N 0 3 371.525 2.144 20 30 FEEDHN C=CCOc1cccnc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428828824 559784314 /nfs/dbraw/zinc/78/43/14/559784314.db2.gz XVMYEGIIUJWAIG-QGZVFWFLSA-N 0 3 353.422 2.465 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000428908827 559785690 /nfs/dbraw/zinc/78/56/90/559785690.db2.gz VKSUWEWBOAYVDO-DLBZAZTESA-N 0 3 364.534 2.384 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC(=O)NC)c2ccccc2)CC1 ZINC000430572474 559823117 /nfs/dbraw/zinc/82/31/17/559823117.db2.gz OKOZOMPFCJQQJF-SFHVURJKSA-N 0 3 358.486 2.204 20 30 FEEDHN N#CCCC[C@@H](NCC(=O)NC(=O)NCC(F)(F)F)c1ccccc1 ZINC000433018518 559870039 /nfs/dbraw/zinc/87/00/39/559870039.db2.gz DTYPQOIJUUBILE-CYBMUJFWSA-N 0 3 356.348 2.399 20 30 FEEDHN Cc1cc(CN2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)on1 ZINC000433227022 559874149 /nfs/dbraw/zinc/87/41/49/559874149.db2.gz JHOOBUZSINWLFE-GOSISDBHSA-N 0 3 352.438 2.400 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000433362026 559878629 /nfs/dbraw/zinc/87/86/29/559878629.db2.gz ONWWMLJDHILFHR-KGLIPLIRSA-N 0 3 353.344 2.038 20 30 FEEDHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)CNc2cccc(C#N)c2)C1 ZINC000434465947 559901171 /nfs/dbraw/zinc/90/11/71/559901171.db2.gz CJTKFQRKOBMQQP-IBGZPJMESA-N 0 3 363.465 2.346 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(S(C)(=O)=O)cc(C)c2C)CC1 ZINC000435085230 559915901 /nfs/dbraw/zinc/91/59/01/559915901.db2.gz HLMPEDQUBDIROM-UHFFFAOYSA-N 0 3 365.499 2.479 20 30 FEEDHN CC(=O)NCC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435127685 559916746 /nfs/dbraw/zinc/91/67/46/559916746.db2.gz XYZBUEYCHRZXJV-UHFFFAOYSA-N 0 3 366.469 2.207 20 30 FEEDHN CN(C)CCOc1cccc(CNS(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435431391 559922869 /nfs/dbraw/zinc/92/28/69/559922869.db2.gz CWVRUOFTLQJSTD-UHFFFAOYSA-N 0 3 365.480 2.039 20 30 FEEDHN COC(=O)[C@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CC1 ZINC000435683313 559927939 /nfs/dbraw/zinc/92/79/39/559927939.db2.gz QCKYGWALAVVECS-WGSAOQKQSA-N 0 3 371.481 2.428 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@H](COC)C1)C(C)C ZINC000439699981 559999064 /nfs/dbraw/zinc/99/90/64/559999064.db2.gz QVIVCHADKQWOFM-FGTMMUONSA-N 0 3 353.507 2.130 20 30 FEEDHN CCC(CC)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N(C)C ZINC000440085884 560004491 /nfs/dbraw/zinc/00/44/91/560004491.db2.gz DKIOHZOGVADGDV-KRWDZBQOSA-N 0 3 355.479 2.483 20 30 FEEDHN CCOC(=O)c1nnc(C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)[n-]1 ZINC000444808485 560121505 /nfs/dbraw/zinc/12/15/05/560121505.db2.gz RYWZVCQSLJHHLX-UHFFFAOYSA-N 0 3 353.426 2.427 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000446050911 560138632 /nfs/dbraw/zinc/13/86/32/560138632.db2.gz GOJXLKUFXBMQPH-UHFFFAOYSA-N 0 3 351.397 2.456 20 30 FEEDHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000447424394 560161865 /nfs/dbraw/zinc/16/18/65/560161865.db2.gz WVPLXVOIPDOVQM-UHFFFAOYSA-N 0 3 362.861 2.388 20 30 FEEDHN CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448885521 560204918 /nfs/dbraw/zinc/20/49/18/560204918.db2.gz XARLXQBQRDSSFY-GDBMZVCRSA-N 0 3 374.872 2.117 20 30 FEEDHN CN(CCN1CCCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448903801 560205793 /nfs/dbraw/zinc/20/57/93/560205793.db2.gz JUUNQTZLPJWHJA-OAHLLOKOSA-N 0 3 374.872 2.119 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2n(n1)CCCC2 ZINC000449751956 560239002 /nfs/dbraw/zinc/23/90/02/560239002.db2.gz DNQFZGILFVNNJI-UHFFFAOYSA-N 0 3 351.454 2.295 20 30 FEEDHN CN1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)c2cnccc21 ZINC000450981000 560280999 /nfs/dbraw/zinc/28/09/99/560280999.db2.gz WDMPKDZJLIPGDQ-UHFFFAOYSA-N 0 3 362.842 2.446 20 30 FEEDHN CCC(CC)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N(C)C ZINC000451432951 560306849 /nfs/dbraw/zinc/30/68/49/560306849.db2.gz QMANFJSPHDPKTF-KRWDZBQOSA-N 0 3 355.479 2.483 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(CC#Cc3ccccc3)C2)CC1 ZINC000451529816 560312448 /nfs/dbraw/zinc/31/24/48/560312448.db2.gz OBQPMNKWVJADIN-JOCHJYFZSA-N 0 3 353.510 2.304 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)Cc1ccccc1Br ZINC000451598340 560316751 /nfs/dbraw/zinc/31/67/51/560316751.db2.gz KFVFHICDDGYCEC-CABCVRRESA-N 0 3 353.260 2.341 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000451601894 560316922 /nfs/dbraw/zinc/31/69/22/560316922.db2.gz CEGUEFQENONKPQ-CABCVRRESA-N 0 3 358.360 2.177 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000451685955 560321891 /nfs/dbraw/zinc/32/18/91/560321891.db2.gz YTDUUKDTQMRUBT-UXHICEINSA-N 0 3 368.481 2.429 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451996045 560343821 /nfs/dbraw/zinc/34/38/21/560343821.db2.gz PBYPZIIMWGKZII-UHOSZYNNSA-N 0 3 356.466 2.464 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453455665 560387127 /nfs/dbraw/zinc/38/71/27/560387127.db2.gz XQBSLVJNYYCZHC-JKSUJKDBSA-N 0 3 351.495 2.107 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453700005 560397759 /nfs/dbraw/zinc/39/77/59/560397759.db2.gz QTHYTPWSRNWMBH-MRXNPFEDSA-N 0 3 364.449 2.328 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456068886 560506014 /nfs/dbraw/zinc/50/60/14/560506014.db2.gz PDWPUWDPANMRPS-QGZVFWFLSA-N 0 3 356.514 2.269 20 30 FEEDHN C=CCC[C@H](CO)NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000456767285 560532367 /nfs/dbraw/zinc/53/23/67/560532367.db2.gz MOASYKKEUJFKPK-QGZVFWFLSA-N 0 3 356.470 2.169 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000458346141 560615975 /nfs/dbraw/zinc/61/59/75/560615975.db2.gz VWOMNQFXBGODDA-IBGZPJMESA-N 0 3 351.491 2.400 20 30 FEEDHN C=CC[C@H](CO)CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458878923 560653628 /nfs/dbraw/zinc/65/36/28/560653628.db2.gz BULUXJIBPGSLNL-WMLDXEAASA-N 0 3 351.516 2.495 20 30 FEEDHN C[C@@H](NC1CCN(C(=O)C2CC2)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000461619901 560777027 /nfs/dbraw/zinc/77/70/27/560777027.db2.gz MXXRRBAHHPXOOL-MRXNPFEDSA-N 0 3 368.481 2.312 20 30 FEEDHN CC(=O)N1CCC(N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000461617522 560777130 /nfs/dbraw/zinc/77/71/30/560777130.db2.gz GVJMRMBWZSENPK-CQSZACIVSA-N 0 3 360.433 2.061 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H]3CCC[C@@H]3C#N)cc2)CC1 ZINC000461943025 560789072 /nfs/dbraw/zinc/78/90/72/560789072.db2.gz VNDIKJHULVAGLX-UXHICEINSA-N 0 3 369.513 2.316 20 30 FEEDHN CN1CCN(CCCNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H](c2ccccc2)C1 ZINC000461961464 560789858 /nfs/dbraw/zinc/78/98/58/560789858.db2.gz VASUFVRJIHYORT-XUVXKRRUSA-N 0 3 369.513 2.357 20 30 FEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000468478416 560930938 /nfs/dbraw/zinc/93/09/38/560930938.db2.gz BSJHFMBINNKWBG-QGZVFWFLSA-N 0 3 366.469 2.176 20 30 FEEDHN COc1ccc(C2(CN[C@H](C)C(=O)NC3(C#N)CCC3)CCOCC2)cc1 ZINC000468813525 560939371 /nfs/dbraw/zinc/93/93/71/560939371.db2.gz CBXISSSOCJLOHF-MRXNPFEDSA-N 0 3 371.481 2.284 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCN2CCCCCC2=O)cc1 ZINC000470725751 560988059 /nfs/dbraw/zinc/98/80/59/560988059.db2.gz DJHPWVMDSXEDEN-GOSISDBHSA-N 0 3 352.438 2.149 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(=O)Nc2ccc(F)cc2)cc1 ZINC000470885748 560992964 /nfs/dbraw/zinc/99/29/64/560992964.db2.gz GRNISVBCVZDKTI-OAHLLOKOSA-N 0 3 350.353 2.135 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)N1CCOCC1 ZINC000471620479 561008891 /nfs/dbraw/zinc/00/88/91/561008891.db2.gz JSDKPEOXJPLRPR-PMACEKPBSA-N 0 3 368.481 2.104 20 30 FEEDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475530828 561099479 /nfs/dbraw/zinc/09/94/79/561099479.db2.gz OTSRPZPVPVBNHD-RTBURBONSA-N 0 3 370.497 2.133 20 30 FEEDHN Cc1ccccc1CN1CCCN(C(=O)COc2cccnc2C#N)CC1 ZINC000477056169 561135519 /nfs/dbraw/zinc/13/55/19/561135519.db2.gz JQLKKPMTGBADNX-UHFFFAOYSA-N 0 3 364.449 2.375 20 30 FEEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528381002 562325883 /nfs/dbraw/zinc/32/58/83/562325883.db2.gz LBWKBAFRWZRFKL-WMZOPIPTSA-N 0 3 373.497 2.172 20 30 FEEDHN CC(C)n1cnnc1[C@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528422935 562328511 /nfs/dbraw/zinc/32/85/11/562328511.db2.gz GRJLHPQQOPLICB-ROUUACIJSA-N 0 3 369.469 2.350 20 30 FEEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC#CCN1C(=O)c2ccccc2C1=O ZINC000528459064 562330489 /nfs/dbraw/zinc/33/04/89/562330489.db2.gz RZIDUOAKYGPLGT-OALUTQOASA-N 0 3 354.450 2.469 20 30 FEEDHN Cn1cc([C@H]2CN(C[C@@H](O)COc3ccccc3C#N)CC2(C)C)cn1 ZINC000528513684 562333375 /nfs/dbraw/zinc/33/33/75/562333375.db2.gz FJMBTOLGZPESMH-QZTJIDSGSA-N 0 3 354.454 2.157 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000528522154 562333750 /nfs/dbraw/zinc/33/37/50/562333750.db2.gz SKENUGUFBQOYRL-ZCNNSNEGSA-N 0 3 366.461 2.302 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000528522148 562333827 /nfs/dbraw/zinc/33/38/27/562333827.db2.gz SKENUGUFBQOYRL-VAMGGRTRSA-N 0 3 366.461 2.302 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000528758623 562346170 /nfs/dbraw/zinc/34/61/70/562346170.db2.gz GBFRAJKLPAIXAN-NPSOMJIGSA-N 0 3 353.426 2.084 20 30 FEEDHN CN1CCC(Oc2ccc(CNC(=O)Cc3ccc(C#N)nc3)cc2)CC1 ZINC000529315604 562368795 /nfs/dbraw/zinc/36/87/95/562368795.db2.gz YNZNUPPHNRKQER-UHFFFAOYSA-N 0 3 364.449 2.285 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCN(c2ncccc2Cl)C1 ZINC000530230930 562403038 /nfs/dbraw/zinc/40/30/38/562403038.db2.gz DSAFUTNPMIGZGX-JKSUJKDBSA-N 0 3 372.856 2.215 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000530231564 562403118 /nfs/dbraw/zinc/40/31/18/562403118.db2.gz KJMDESFJQDJOMK-JKSUJKDBSA-N 0 3 373.403 2.445 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1)C(C)C ZINC000534376534 562532983 /nfs/dbraw/zinc/53/29/83/562532983.db2.gz GPSWTCMXGPHFSM-RBUKOAKNSA-N 0 3 364.534 2.195 20 30 FEEDHN C=C(C)[C@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)OCC ZINC000536433011 562575378 /nfs/dbraw/zinc/57/53/78/562575378.db2.gz INKUTMFCYZGLBU-UFYCRDLUSA-N 0 3 360.498 2.357 20 30 FEEDHN N#C[C@H]1CSCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000537132697 562586252 /nfs/dbraw/zinc/58/62/52/562586252.db2.gz MSWFVCNFKBSDJK-SFHVURJKSA-N 0 3 358.511 2.056 20 30 FEEDHN C=CCOc1cccnc1C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000537170752 562586986 /nfs/dbraw/zinc/58/69/86/562586986.db2.gz SUTBXWWSNAIMOF-MRXNPFEDSA-N 0 3 371.437 2.200 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)CC1 ZINC000541361032 562610367 /nfs/dbraw/zinc/61/03/67/562610367.db2.gz ZOALAXYPXPTHHO-UHFFFAOYSA-N 0 3 352.438 2.387 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806807514 674390874 /nfs/dbraw/zinc/39/08/74/674390874.db2.gz PCIHOABDZRVRMZ-CQSZACIVSA-N 0 3 351.491 2.256 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCS[C@@H](C)CC1)C(C)C ZINC000556209903 674392156 /nfs/dbraw/zinc/39/21/56/674392156.db2.gz ZOFVLSKYPXLDIT-IRXDYDNUSA-N 0 3 367.559 2.155 20 30 FEEDHN CCOC(=O)[C@]1(CNC(=O)C(C#N)CCc2ccccc2)CCCOC1 ZINC000601870277 567868634 /nfs/dbraw/zinc/86/86/34/567868634.db2.gz OFIBAWLOGNOEDJ-PXNSSMCTSA-N 0 3 358.438 2.235 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000584656340 567940778 /nfs/dbraw/zinc/94/07/78/567940778.db2.gz UOVQXPWRYWWNOO-DOPJRALCSA-N 0 3 353.397 2.418 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000602520546 567987171 /nfs/dbraw/zinc/98/71/71/567987171.db2.gz HUIITYSWIULCIJ-KRWDZBQOSA-N 0 3 371.481 2.348 20 30 FEEDHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602573922 567996409 /nfs/dbraw/zinc/99/64/09/567996409.db2.gz OAEKKPXEYGREDF-OAQYLSRUSA-N 0 3 362.477 2.097 20 30 FEEDHN N#CC1(C[C@H](O)CN2CC[C@H](c3ccc4cccnc4n3)C2)CCOCC1 ZINC000602882021 568004605 /nfs/dbraw/zinc/00/46/05/568004605.db2.gz IRNKZSADTPSTSQ-ROUUACIJSA-N 0 3 366.465 2.490 20 30 FEEDHN N#CC1CCC([NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000602657398 568006627 /nfs/dbraw/zinc/00/66/27/568006627.db2.gz GBHZPARREAWIME-UHFFFAOYSA-N 0 3 359.854 2.429 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCCn1cc(Br)ccc1=O ZINC000602674335 568008674 /nfs/dbraw/zinc/00/86/74/568008674.db2.gz OOHZFMUXZZRXOE-ZDUSSCGKSA-N 0 3 368.275 2.299 20 30 FEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000602877281 568010435 /nfs/dbraw/zinc/01/04/35/568010435.db2.gz DZRSKBDHQIEAEB-OAHLLOKOSA-N 0 3 366.469 2.412 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(Cc2nc(C(C)C)n[nH]2)CC1 ZINC000602860855 568049472 /nfs/dbraw/zinc/04/94/72/568049472.db2.gz GULKEZUPSGMDFN-HNNXBMFYSA-N 0 3 360.506 2.191 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000602860855 568049473 /nfs/dbraw/zinc/04/94/73/568049473.db2.gz GULKEZUPSGMDFN-HNNXBMFYSA-N 0 3 360.506 2.191 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000602860855 568049474 /nfs/dbraw/zinc/04/94/74/568049474.db2.gz GULKEZUPSGMDFN-HNNXBMFYSA-N 0 3 360.506 2.191 20 30 FEEDHN CCN1CCN(CCNC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000603282630 568082548 /nfs/dbraw/zinc/08/25/48/568082548.db2.gz UBTNUHRGISZVLX-UHFFFAOYSA-N 0 3 361.489 2.454 20 30 FEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000569592078 568408793 /nfs/dbraw/zinc/40/87/93/568408793.db2.gz RYCPOHRDUYCLRC-CYBMUJFWSA-N 0 3 362.861 2.387 20 30 FEEDHN COc1ccc([C@H](OC)[C@@H](C)NCc2cnc3c(C#N)cnn3c2)cc1 ZINC000569927965 568437746 /nfs/dbraw/zinc/43/77/46/568437746.db2.gz RZNSKVKJQQXPCE-FZKQIMNGSA-N 0 3 351.410 2.475 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1nn(C)c2ccccc2c1=O ZINC000605075007 568553572 /nfs/dbraw/zinc/55/35/72/568553572.db2.gz MDQCYBXSGMIGQC-ZDUSSCGKSA-N 0 3 357.373 2.310 20 30 FEEDHN C=CC[NH+]1CCC(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000735428931 599053006 /nfs/dbraw/zinc/05/30/06/599053006.db2.gz PIBYERSLIRLPDK-UHFFFAOYSA-N 0 3 353.352 2.343 20 30 FEEDHN CC[NH+](CC)CC#C[C@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821181704 607322534 /nfs/dbraw/zinc/32/25/34/607322534.db2.gz OTITWSINUCPLKU-HNNXBMFYSA-N 0 3 355.442 2.076 20 30 FEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000735420941 598430453 /nfs/dbraw/zinc/43/04/53/598430453.db2.gz VTVYEBHJKAXBMH-OAHLLOKOSA-N 0 3 371.489 2.295 20 30 FEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000735420941 598430455 /nfs/dbraw/zinc/43/04/55/598430455.db2.gz VTVYEBHJKAXBMH-OAHLLOKOSA-N 0 3 371.489 2.295 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000735420941 598430456 /nfs/dbraw/zinc/43/04/56/598430456.db2.gz VTVYEBHJKAXBMH-OAHLLOKOSA-N 0 3 371.489 2.295 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000735420941 598430458 /nfs/dbraw/zinc/43/04/58/598430458.db2.gz VTVYEBHJKAXBMH-OAHLLOKOSA-N 0 3 371.489 2.295 20 30 FEEDHN COc1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1-c1nnn[n-]1 ZINC000826202526 607567527 /nfs/dbraw/zinc/56/75/27/607567527.db2.gz CMYDBPSGVSDGHV-CYBMUJFWSA-N 0 3 364.409 2.456 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000559377079 674540481 /nfs/dbraw/zinc/54/04/81/674540481.db2.gz GXNRGOXQKCXEKF-LLVKDONJSA-N 0 3 368.279 2.250 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)cc1 ZINC000810534547 674549303 /nfs/dbraw/zinc/54/93/03/674549303.db2.gz WAOSVPNUDXOULP-HIFRSBDPSA-N 0 3 359.451 2.179 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1nncn1C ZINC000561439753 674666732 /nfs/dbraw/zinc/66/67/32/674666732.db2.gz AILSJXFVNXVLJK-CQSZACIVSA-N 0 3 361.519 2.474 20 30 FEEDHN C=CCNC(=O)CNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000561670122 674688595 /nfs/dbraw/zinc/68/85/95/674688595.db2.gz FAASYMHRCZFMSQ-INIZCTEOSA-N 0 3 366.893 2.324 20 30 FEEDHN COCC[C@@H]1COCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000812889537 674704668 /nfs/dbraw/zinc/70/46/68/674704668.db2.gz TYJCEISDNWXPOA-ZIAGYGMSSA-N 0 3 359.451 2.210 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2ccc(Cl)s2)nc1 ZINC000562985281 674831156 /nfs/dbraw/zinc/83/11/56/674831156.db2.gz PQBWAMWMVHHMOZ-UHFFFAOYSA-N 0 3 355.872 2.274 20 30 FEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1cn(C)nc1Cl ZINC000815909108 674983810 /nfs/dbraw/zinc/98/38/10/674983810.db2.gz QYVJSKNPOVSUMS-LBPRGKRZSA-N 0 3 360.801 2.362 20 30 FEEDHN Cn1nnnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000027444154 670079713 /nfs/dbraw/zinc/07/97/13/670079713.db2.gz PQUZWNHIPQRGCI-LLVKDONJSA-N 0 3 356.436 2.302 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1ccccc1C(F)(F)F ZINC000105755467 670806335 /nfs/dbraw/zinc/80/63/35/670806335.db2.gz ABOMOEKWGYYIRY-CYBMUJFWSA-N 0 3 356.344 2.500 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000113651775 670886501 /nfs/dbraw/zinc/88/65/01/670886501.db2.gz BWPOTCFIPIFENU-ZYHUDNBSSA-N 0 3 356.781 2.108 20 30 FEEDHN N#CC(C(=O)COC[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000113653333 670886825 /nfs/dbraw/zinc/88/68/25/670886825.db2.gz CIURSDWAWVQIBL-NWDGAFQWSA-N 0 3 354.765 2.322 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCO[C@H](CF)C1)CCC2 ZINC000573781181 671163650 /nfs/dbraw/zinc/16/36/50/671163650.db2.gz JLPCWFLRZGORDJ-GFCCVEGCSA-N 0 3 351.447 2.497 20 30 FEEDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C2)C1 ZINC000576089388 671343053 /nfs/dbraw/zinc/34/30/53/671343053.db2.gz QADPRIHIMKOXFG-HNNXBMFYSA-N 0 3 373.400 2.293 20 30 FEEDHN C#CCSCCNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000118988286 671889771 /nfs/dbraw/zinc/88/97/71/671889771.db2.gz NEVHDOAUCLLIQY-SFHVURJKSA-N 0 3 361.511 2.498 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CCC)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000610134194 675955915 /nfs/dbraw/zinc/95/59/15/675955915.db2.gz USHBPRLRIBMNGG-JKSUJKDBSA-N 0 3 351.491 2.448 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@]1(OC)CCOC1 ZINC000122953591 671972749 /nfs/dbraw/zinc/97/27/49/671972749.db2.gz HSNQOPCFOZUGFL-MRXNPFEDSA-N 0 3 354.244 2.356 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)cc1C ZINC000124189827 671992081 /nfs/dbraw/zinc/99/20/81/671992081.db2.gz XVQNDJLHKYSNDN-AWEZNQCLSA-N 0 3 352.818 2.279 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1ccc(F)c(Cl)c1 ZINC000125538481 672013161 /nfs/dbraw/zinc/01/31/61/672013161.db2.gz HXLVQLAPYQBTDU-CYBMUJFWSA-N 0 3 370.808 2.498 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(N3C(=S)N=NC3C)c2)CC1 ZINC000134563540 672124088 /nfs/dbraw/zinc/12/40/88/672124088.db2.gz KINSYSPLQPPWHZ-UHFFFAOYSA-N 0 3 355.467 2.148 20 30 FEEDHN COCC(=O)N(C)CC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000136903974 672140383 /nfs/dbraw/zinc/14/03/83/672140383.db2.gz ZGPHQKCAHIOORB-SNVBAGLBSA-N 0 3 351.815 2.231 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000172542750 672342774 /nfs/dbraw/zinc/34/27/74/672342774.db2.gz YTMPGJLSXJMHEY-CVEARBPZSA-N 0 3 351.491 2.446 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000172542746 672342870 /nfs/dbraw/zinc/34/28/70/672342870.db2.gz YTMPGJLSXJMHEY-HZPDHXFCSA-N 0 3 351.491 2.446 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000591630970 672696190 /nfs/dbraw/zinc/69/61/90/672696190.db2.gz YGUFICQTMXZOOC-CQSZACIVSA-N 0 3 354.223 2.494 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000193379906 672722033 /nfs/dbraw/zinc/72/20/33/672722033.db2.gz BIBQUJSGSHYQLR-ZDUSSCGKSA-N 0 3 364.471 2.295 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000592298858 672782945 /nfs/dbraw/zinc/78/29/45/672782945.db2.gz VBQGCRVVEMUOEO-CQSZACIVSA-N 0 3 362.440 2.210 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NCCOc1cccc(Br)c1 ZINC000594431130 673071276 /nfs/dbraw/zinc/07/12/76/673071276.db2.gz IFQRJEUTEPAOOT-AWEZNQCLSA-N 0 3 354.248 2.355 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000594438959 673072041 /nfs/dbraw/zinc/07/20/41/673072041.db2.gz RISLWNCFAPGCLB-GUYCJALGSA-N 0 3 350.413 2.319 20 30 FEEDHN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)n1 ZINC000594456559 673074948 /nfs/dbraw/zinc/07/49/48/673074948.db2.gz QLINNNMSLZLVQW-JSGCOSHPSA-N 0 3 364.471 2.395 20 30 FEEDHN O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000330144443 673086281 /nfs/dbraw/zinc/08/62/81/673086281.db2.gz ZOCSONIOBKLNJM-UHFFFAOYSA-N 0 3 360.384 2.188 20 30 FEEDHN N#Cc1cnc2c(Br)cccc2c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594603970 673105616 /nfs/dbraw/zinc/10/56/16/673105616.db2.gz QALYYEAQTWGUPD-QWHCGFSZSA-N 0 3 373.254 2.124 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1=O ZINC000348579702 673116149 /nfs/dbraw/zinc/11/61/49/673116149.db2.gz YEODMAVQLAZBGQ-DZKIICNBSA-N 0 3 363.483 2.254 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000595256002 673213988 /nfs/dbraw/zinc/21/39/88/673213988.db2.gz IQRBPDZPWRQPDS-CABCVRRESA-N 0 3 366.259 2.370 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCCCNC1=O ZINC000729851752 673250401 /nfs/dbraw/zinc/25/04/01/673250401.db2.gz KMALSWLNXKJCII-OCCSQVGLSA-N 0 3 356.451 2.073 20 30 FEEDHN Cc1cc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)n(CCC#N)n1 ZINC000596892739 673423390 /nfs/dbraw/zinc/42/33/90/673423390.db2.gz DEHIQHUZJPHHSK-VXGBXAGGSA-N 0 3 360.336 2.028 20 30 FEEDHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)C(C#N)c1nc(C)cs1 ZINC000733677989 673431253 /nfs/dbraw/zinc/43/12/53/673431253.db2.gz WZMVZQNQVQJDKG-STQMWFEESA-N 0 3 355.485 2.222 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)COC[C@@H]2CCCO2)cc1Cl ZINC000733679423 673431258 /nfs/dbraw/zinc/43/12/58/673431258.db2.gz HEMGUCJXGKNIBN-QWHCGFSZSA-N 0 3 366.801 2.192 20 30 FEEDHN CCC1(N2CCOCC2)CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000599669464 673704211 /nfs/dbraw/zinc/70/42/11/673704211.db2.gz MEMSXVZLADWBEI-UHFFFAOYSA-N 0 3 362.499 2.135 20 30 FEEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1C ZINC000744032797 673779823 /nfs/dbraw/zinc/77/98/23/673779823.db2.gz IMAQMPOGYHEWKG-NSHDSACASA-N 0 3 352.181 2.392 20 30 FEEDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000601421611 673859718 /nfs/dbraw/zinc/85/97/18/673859718.db2.gz IILROSIEZQAXFF-GWCFXTLKSA-N 0 3 361.389 2.290 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)N1CCN(CCC#N)CC1)c1ccsc1 ZINC000601548661 673880476 /nfs/dbraw/zinc/88/04/76/673880476.db2.gz CUFGQZBSCJAZEY-KRWDZBQOSA-N 0 3 363.531 2.372 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000818584565 675226197 /nfs/dbraw/zinc/22/61/97/675226197.db2.gz OZRZXUXZNWNMKU-GFCCVEGCSA-N 0 3 371.250 2.427 20 30 FEEDHN C=CC[C@H](CO)CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000567298661 675282334 /nfs/dbraw/zinc/28/23/34/675282334.db2.gz KUFQYHZKGNQIIR-DLBZAZTESA-N 0 3 352.425 2.445 20 30 FEEDHN C#C[C@@H](NC(=O)N1CCCN(C)CC1)c1ccc(Br)cc1 ZINC000820625436 675375195 /nfs/dbraw/zinc/37/51/95/675375195.db2.gz IPIVOMADUKAGBQ-OAHLLOKOSA-N 0 3 350.260 2.471 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CNCC1(S(C)(=O)=O)CCCC1 ZINC000644646721 677247318 /nfs/dbraw/zinc/24/73/18/677247318.db2.gz IZMBXSXUPRKEMD-KRWDZBQOSA-N 0 3 367.511 2.102 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)[C@H](O)c1c(F)cccc1F ZINC000838622840 680706606 /nfs/dbraw/zinc/70/66/06/680706606.db2.gz PYGDECBETDCRGF-RDJZCZTQSA-N 0 3 353.413 2.031 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000838624286 680706721 /nfs/dbraw/zinc/70/67/21/680706721.db2.gz PYHAJBDXTJIFMS-UHFFFAOYSA-N 0 3 364.877 2.253 20 30 FEEDHN C=C(C[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000764510449 680812401 /nfs/dbraw/zinc/81/24/01/680812401.db2.gz VRHVZARPBJMULY-UHFFFAOYSA-N 0 3 365.377 2.133 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc(F)c1C#N ZINC000751499295 680183601 /nfs/dbraw/zinc/18/36/01/680183601.db2.gz WYXLQTAOUSIYSB-MCIONIFRSA-N 0 3 353.463 2.342 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(CCc2csc(C)n2)C1 ZINC001023599597 680265112 /nfs/dbraw/zinc/26/51/12/680265112.db2.gz ORSLJZKDJJRXKF-JQHSSLGASA-N 0 3 363.527 2.413 20 30 FEEDHN CN(C)CCn1nnnc1SCC#Cc1ccc(C(F)(F)F)cc1 ZINC000754273925 680347049 /nfs/dbraw/zinc/34/70/49/680347049.db2.gz YYUUSUSNKLRLHU-UHFFFAOYSA-N 0 3 355.389 2.397 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1Cc2cccc(Br)c2C1 ZINC000836490290 680476643 /nfs/dbraw/zinc/47/66/43/680476643.db2.gz SCPQHTJPUJVIFE-UHFFFAOYSA-N 0 3 350.260 2.429 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2CCc1ccns1 ZINC001045851044 680641482 /nfs/dbraw/zinc/64/14/82/680641482.db2.gz OEVGADBSRQEJPJ-ATLSCFEFSA-N 0 3 361.511 2.342 20 30 FEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046956574 680654247 /nfs/dbraw/zinc/65/42/47/680654247.db2.gz ZJBMPKRUYZCKSF-IXDOHACOSA-N 0 3 354.441 2.146 20 30 FEEDHN CCC[C@@H]1C(=O)NCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000766256590 680872044 /nfs/dbraw/zinc/87/20/44/680872044.db2.gz KINYNOSWPIEYFB-GXTWGEPZSA-N 0 3 356.451 2.073 20 30 FEEDHN N#Cc1csc(COC(=O)C2CCN(c3ccc(F)c(F)c3)C2=O)n1 ZINC000842068828 680925007 /nfs/dbraw/zinc/92/50/07/680925007.db2.gz UJSVMQHQVIPJKL-NSHDSACASA-N 0 3 363.345 2.389 20 30 FEEDHN COC(=O)[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000842342314 680939901 /nfs/dbraw/zinc/93/99/01/680939901.db2.gz ANUNWNTVXXCFCZ-GZBFAFLISA-N 0 3 362.813 2.254 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CNC[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084044 680986609 /nfs/dbraw/zinc/98/66/09/680986609.db2.gz MPPKSSANHPUXIV-GUYCJALGSA-N 0 3 364.804 2.414 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2CCc1ccns1 ZINC001049732656 681038010 /nfs/dbraw/zinc/03/80/10/681038010.db2.gz PJSIOHCRDCGQQS-OWSLCNJRSA-N 0 3 361.511 2.342 20 30 FEEDHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(c2nc(C#N)c(Cl)s2)[C@@H]1C ZINC001050503188 681048970 /nfs/dbraw/zinc/04/89/70/681048970.db2.gz ZQWSRHFONVTMMW-ZJUUUORDSA-N 0 3 364.862 2.026 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC2(CN(CC(CC)CC)C2)O1 ZINC001053663705 681102851 /nfs/dbraw/zinc/10/28/51/681102851.db2.gz ZHWNHNKTIMPISI-KURKYZTESA-N 0 3 350.503 2.363 20 30 FEEDHN CC[C@@H](C(=O)N1C[C@@H](CNc2ncc(C#N)cc2Cl)[C@H](C)C1)N(C)C ZINC001054421336 681108316 /nfs/dbraw/zinc/10/83/16/681108316.db2.gz ZFBUKOLXUDDVND-XPKDYRNWSA-N 0 3 363.893 2.453 20 30 FEEDHN Cc1nsc(NC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c1C#N ZINC001054569074 681113229 /nfs/dbraw/zinc/11/32/29/681113229.db2.gz AZUWWLJPEXOGGK-GZBFAFLISA-N 0 3 361.515 2.171 20 30 FEEDHN N#CC(C(=O)Cc1ccc2c(c1)OC(F)(F)O2)C(=O)NC1CCCC1 ZINC000845451510 681128847 /nfs/dbraw/zinc/12/88/47/681128847.db2.gz NYKMRURXQNFYRM-GFCCVEGCSA-N 0 3 350.321 2.318 20 30 FEEDHN C#CCN1CCN(C(=O)CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)CC1 ZINC000776026565 681357086 /nfs/dbraw/zinc/35/70/86/681357086.db2.gz OQJWFPRRUWGZOA-ZAAXVRCTSA-N 0 3 359.901 2.404 20 30 FEEDHN CCN(CC)[C@@H](CNS(=O)(=O)CC(C)(C)C#N)Cc1ccccc1 ZINC000777817265 681534321 /nfs/dbraw/zinc/53/43/21/681534321.db2.gz DTKASPRSMPJCDF-QGZVFWFLSA-N 0 3 351.516 2.409 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000779351002 681707118 /nfs/dbraw/zinc/70/71/18/681707118.db2.gz MDHDURMLTVSINY-AWEZNQCLSA-N 0 3 354.495 2.239 20 30 FEEDHN COC(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000850755091 681956937 /nfs/dbraw/zinc/95/69/37/681956937.db2.gz AWJYHOWBGGMWFW-CQSZACIVSA-N 0 3 363.801 2.466 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC(NCc2snnc2C)CC1 ZINC000963926642 682151253 /nfs/dbraw/zinc/15/12/53/682151253.db2.gz SKILRVNTKDVAFP-FJBKBRRZSA-N 0 3 364.515 2.297 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000916918432 685528597 /nfs/dbraw/zinc/52/85/97/685528597.db2.gz MCPNLNAIKSMSSF-LLVKDONJSA-N 0 3 360.464 2.411 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000916947023 685528692 /nfs/dbraw/zinc/52/86/92/685528692.db2.gz RQIYREOTCVKEDQ-HZMBPMFUSA-N 0 3 365.842 2.376 20 30 FEEDHN COC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](C)O1 ZINC000784368291 682220627 /nfs/dbraw/zinc/22/06/27/682220627.db2.gz XZBIMXZYZJGFAK-HZSPNIEDSA-N 0 3 359.451 2.208 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H](N(C)C)C(F)(F)F)CC1 ZINC000917098330 685529667 /nfs/dbraw/zinc/52/96/67/685529667.db2.gz UNADJKDSNOCAOU-CQSZACIVSA-N 0 3 350.429 2.209 20 30 FEEDHN COC(=O)N(C)CCN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000852569551 682300531 /nfs/dbraw/zinc/30/05/31/682300531.db2.gz FPPBWZOVZCYBDU-UHFFFAOYSA-N 0 3 364.471 2.067 20 30 FEEDHN COCCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCOC1 ZINC000786190065 682358317 /nfs/dbraw/zinc/35/83/17/682358317.db2.gz KSKSRUDUKLZEEN-ZIAGYGMSSA-N 0 3 359.451 2.210 20 30 FEEDHN CCOC(=O)NCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786535935 682384194 /nfs/dbraw/zinc/38/41/94/682384194.db2.gz WDEFBTFVGDEIEG-AWEZNQCLSA-N 0 3 365.817 2.191 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC000972738716 682432676 /nfs/dbraw/zinc/43/26/76/682432676.db2.gz FRZWUISAXMYQHP-GDBMZVCRSA-N 0 3 367.921 2.309 20 30 FEEDHN CS(=O)(=O)c1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)ccc1F ZINC000793126166 682865745 /nfs/dbraw/zinc/86/57/45/682865745.db2.gz SBSDXMUIOAFQKK-CYBMUJFWSA-N 0 3 360.366 2.190 20 30 FEEDHN C[C@@H](NCCNc1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000927166257 683213508 /nfs/dbraw/zinc/21/35/08/683213508.db2.gz UXSBRDULMIDQQD-GFCCVEGCSA-N 0 3 362.430 2.259 20 30 FEEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956581 683408117 /nfs/dbraw/zinc/40/81/17/683408117.db2.gz DTBBUXFWLBOCET-CVEARBPZSA-N 0 3 351.491 2.352 20 30 FEEDHN C[C@@H](CN1CCN(C)CC1)NCc1cc(C#N)ccc1Br ZINC000921705703 683550991 /nfs/dbraw/zinc/55/09/91/683550991.db2.gz VYVLVMXGRRUBBY-ZDUSSCGKSA-N 0 3 351.292 2.046 20 30 FEEDHN C#CCN(C(=O)C(=O)N[C@H](C)c1ccc(Cl)cc1)C1CCN(C)CC1 ZINC000929173733 683557418 /nfs/dbraw/zinc/55/74/18/683557418.db2.gz AVNOEAOOLZQMKQ-CQSZACIVSA-N 0 3 361.873 2.073 20 30 FEEDHN C=C(C)COc1cc(CNC(C)(C)CNS(C)(=O)=O)ccc1OC ZINC000922637471 683759285 /nfs/dbraw/zinc/75/92/85/683759285.db2.gz GBEDYPQXBNFZJD-UHFFFAOYSA-N 0 3 356.488 2.068 20 30 FEEDHN COc1ccc(CN[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1C#N ZINC000865742149 684021747 /nfs/dbraw/zinc/02/17/47/684021747.db2.gz OWFYXDCYHLSXSF-IAGOWNOFSA-N 0 3 363.483 2.049 20 30 FEEDHN C=CCOc1ccc(CNC[C@@]23COC(=O)N2CCOC3)cc1Cl ZINC000865770137 684026084 /nfs/dbraw/zinc/02/60/84/684026084.db2.gz OMQDKPLNWNVPII-QGZVFWFLSA-N 0 3 352.818 2.216 20 30 FEEDHN C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)C(=O)OCC ZINC000867592329 684324230 /nfs/dbraw/zinc/32/42/30/684324230.db2.gz YTZZYLCRFDQRNM-OAHLLOKOSA-N 0 3 374.890 2.101 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000867997066 684437491 /nfs/dbraw/zinc/43/74/91/684437491.db2.gz AGYPIYKQAILGMT-NSHDSACASA-N 0 3 357.380 2.266 20 30 FEEDHN COCCNS(=O)(=O)c1ccc(CN[C@H](C)CC(C)(C)C#N)cc1 ZINC000924837387 684497957 /nfs/dbraw/zinc/49/79/57/684497957.db2.gz LZIJKJNQAHHSMW-CQSZACIVSA-N 0 3 353.488 2.029 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)[C@@H]1CCOC1 ZINC000870138043 684687105 /nfs/dbraw/zinc/68/71/05/684687105.db2.gz ATWXCYZDIUKUFB-HSMVNMDESA-N 0 3 350.802 2.429 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000876568207 686221296 /nfs/dbraw/zinc/22/12/96/686221296.db2.gz VVKASCHNSYEAFQ-GXTWGEPZSA-N 0 3 351.834 2.004 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000876584221 686224564 /nfs/dbraw/zinc/22/45/64/686224564.db2.gz UQMQXVUDJCUSDS-HNNXBMFYSA-N 0 3 351.834 2.096 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000876636615 686233940 /nfs/dbraw/zinc/23/39/40/686233940.db2.gz BLAFIGBGYLXMIF-HNNXBMFYSA-N 0 3 350.850 2.141 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000876636559 686234012 /nfs/dbraw/zinc/23/40/12/686234012.db2.gz YXQMKDAJEMPNIQ-KRWDZBQOSA-N 0 3 363.889 2.150 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000876708474 686249020 /nfs/dbraw/zinc/24/90/20/686249020.db2.gz RGHAZAWWHHFWAV-LBPRGKRZSA-N 0 3 350.875 2.415 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000876741287 686258394 /nfs/dbraw/zinc/25/83/94/686258394.db2.gz QCDBGVWNKYJSKY-CVEARBPZSA-N 0 3 372.296 2.299 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000877205244 686339786 /nfs/dbraw/zinc/33/97/86/686339786.db2.gz CRKSHEKOOOSNDL-BBRMVZONSA-N 0 3 359.253 2.400 20 30 FEEDHN C=CCCc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1 ZINC000881895488 687251189 /nfs/dbraw/zinc/25/11/89/687251189.db2.gz HOXOSJKVXMMTGH-UHFFFAOYSA-N 0 3 352.500 2.194 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC000884151060 687802006 /nfs/dbraw/zinc/80/20/06/687802006.db2.gz COCDRCNBSHNZIG-APZPJJSNSA-N 0 3 368.264 2.282 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC000884151061 687802124 /nfs/dbraw/zinc/80/21/24/687802124.db2.gz COCDRCNBSHNZIG-IWQRBREISA-N 0 3 368.264 2.282 20 30 FEEDHN C=CCn1cc(CN[C@@H]2CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)nn1 ZINC000895005777 689638909 /nfs/dbraw/zinc/63/89/09/689638909.db2.gz HSJDOFNEEDWEJX-XBFCOCLRSA-N 0 3 360.380 2.464 20 30 FEEDHN CSc1ccc([C@H](CNC(=O)N2CCO[C@](C)(C#N)C2)N(C)C)cc1 ZINC000895058196 689650142 /nfs/dbraw/zinc/65/01/42/689650142.db2.gz JNNZIEFCUQXCKA-FUHWJXTLSA-N 0 3 362.499 2.335 20 30 FEEDHN C=CCC1(NCc2c(I)cnn2C)CCOCC1 ZINC000895258048 689685757 /nfs/dbraw/zinc/68/57/57/689685757.db2.gz AUXUTPJPCOSOGI-UHFFFAOYSA-N 0 3 361.227 2.240 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896209341 689838223 /nfs/dbraw/zinc/83/82/23/689838223.db2.gz YQEMPZGCHMTLBI-UHFFFAOYSA-N 0 3 367.291 2.362 20 30 FEEDHN N#Cc1cc(F)c(N2CC[C@H]3[C@@H]2CCCN3CCO)cc1Br ZINC000897218492 689989542 /nfs/dbraw/zinc/98/95/42/689989542.db2.gz DICAWGLXNVRFFC-GJZGRUSLSA-N 0 3 368.250 2.495 20 30 FEEDHN N#Cc1c(Br)cccc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897220607 689990172 /nfs/dbraw/zinc/99/01/72/689990172.db2.gz CCHMAMXAQPPWDW-HOTGVXAUSA-N 0 3 350.260 2.356 20 30 FEEDHN N#Cc1ccc(NC(=S)N2CC[C@H]3[C@H]2CCCN3CCO)cc1Cl ZINC000899663763 690401630 /nfs/dbraw/zinc/40/16/30/690401630.db2.gz GCOSOXJMTVHSSY-JKSUJKDBSA-N 0 3 364.902 2.439 20 30 FEEDHN C=CCN1CCC(NC(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)CC1 ZINC000900597868 690536768 /nfs/dbraw/zinc/53/67/68/690536768.db2.gz AYHICQZWWJVASH-UHFFFAOYSA-N 0 3 353.348 2.357 20 30 FEEDHN CN1CC[C@@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)C[C@@H]2C1 ZINC000907262164 691435189 /nfs/dbraw/zinc/43/51/89/691435189.db2.gz MUOUXXKYCZEHOD-OLZOCXBDSA-N 0 3 361.492 2.345 20 30 FEEDHN Cc1ccc(CC#N)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164877639 721157586 /nfs/dbraw/zinc/15/75/86/721157586.db2.gz PKRQYJKBGIVVNL-VQTJNVASSA-N 0 3 363.465 2.331 20 30 FEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CNc1ccc(C#N)cn1 ZINC000497864399 883795239 /nfs/dbraw/zinc/79/52/39/883795239.db2.gz SSGBDHLEQUTONY-UHFFFAOYSA-N 0 3 355.417 2.095 20 30 FEEDHN CCc1ccc([C@H](CNC(=O)CNc2ccc(C#N)cn2)N(C)C)cc1 ZINC000498068338 889382692 /nfs/dbraw/zinc/38/26/92/889382692.db2.gz YVTQOCIQYKVOBG-SFHVURJKSA-N 0 3 351.454 2.347 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2n[nH]cc2c1)C(C)C ZINC000076240486 542249122 /nfs/dbraw/zinc/24/91/22/542249122.db2.gz NETLTIFKWDEBSA-GOSISDBHSA-N 0 3 369.469 2.316 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000041732669 540030816 /nfs/dbraw/zinc/03/08/16/540030816.db2.gz HRRLXGKBIHKUQW-UHFFFAOYSA-N 0 3 362.433 2.061 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C(C)C ZINC000041856051 540036899 /nfs/dbraw/zinc/03/68/99/540036899.db2.gz FGLZXYUQZAGQLW-GOSISDBHSA-N 0 3 354.454 2.312 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)N(C)C[C@@H](C)C#N)cc2)CC1 ZINC000046121471 540243189 /nfs/dbraw/zinc/24/31/89/540243189.db2.gz WXAFLQJRXBGJDA-KRWDZBQOSA-N 0 3 357.502 2.125 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1nnc2n1CCCC2)C(C)C ZINC000046905575 540276446 /nfs/dbraw/zinc/27/64/46/540276446.db2.gz GMTFINOFJFFQKG-INIZCTEOSA-N 0 3 360.506 2.112 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOCC(F)(F)F ZINC000047011762 540284557 /nfs/dbraw/zinc/28/45/57/540284557.db2.gz KAVGSIBYYXHJMX-UHFFFAOYSA-N 0 3 357.376 2.417 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453562 540312069 /nfs/dbraw/zinc/31/20/69/540312069.db2.gz HLCGPEJKLUSFAS-UHFFFAOYSA-N 0 3 352.438 2.496 20 30 FEEDHN N#CC(C(=O)c1ccoc1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000054728132 540606154 /nfs/dbraw/zinc/60/61/54/540606154.db2.gz YUZWMGUHWGPBGG-INIZCTEOSA-N 0 3 363.377 2.187 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CCN(c3ccncc3)CC2)ccc1Cl ZINC000055218438 540636798 /nfs/dbraw/zinc/63/67/98/540636798.db2.gz ZERXDVBPXMODQU-UHFFFAOYSA-N 0 3 362.842 2.118 20 30 FEEDHN CCN(CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000076300638 542257694 /nfs/dbraw/zinc/25/76/94/542257694.db2.gz OFUUKEZPBFFOBS-UHFFFAOYSA-N 0 3 368.359 2.116 20 30 FEEDHN COc1cc(/C=C/C(=O)N2CCCN(C3CC3)CC2)ccc1OCC#N ZINC000061605688 541135299 /nfs/dbraw/zinc/13/52/99/541135299.db2.gz NWCZRVHMLKFTEK-XBXARRHUSA-N 0 3 355.438 2.307 20 30 FEEDHN C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930325 541272568 /nfs/dbraw/zinc/27/25/68/541272568.db2.gz NBACVUQRIWSKCG-XLIONFOSSA-N 0 3 373.497 2.423 20 30 FEEDHN C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)N1CCCC[C@@H]1C ZINC000066240550 541294649 /nfs/dbraw/zinc/29/46/49/541294649.db2.gz XFWFRDLIHPYHPO-GJZGRUSLSA-N 0 3 366.469 2.319 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066638916 541352849 /nfs/dbraw/zinc/35/28/49/541352849.db2.gz VLURTIVPPCQVMN-KRWDZBQOSA-N 0 3 356.470 2.171 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000066816540 541374930 /nfs/dbraw/zinc/37/49/30/541374930.db2.gz HBHPBZAZCUBJSR-UHFFFAOYSA-N 0 3 367.409 2.370 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000067323419 541444966 /nfs/dbraw/zinc/44/49/66/541444966.db2.gz NUXMSQPHVMXPEF-UHFFFAOYSA-N 0 3 372.469 2.276 20 30 FEEDHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069412441 541684844 /nfs/dbraw/zinc/68/48/44/541684844.db2.gz UCQSTGSSFSKEQO-DLBZAZTESA-N 0 3 373.476 2.450 20 30 FEEDHN CC(C)N1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000069827814 541717182 /nfs/dbraw/zinc/71/71/82/541717182.db2.gz OPKCRLGOVQFLJV-UHFFFAOYSA-N 0 3 370.501 2.048 20 30 FEEDHN CN(C)CCn1c2cc(NC(=O)c3cccc(CC#N)c3)ccc2oc1=O ZINC000069919317 541723609 /nfs/dbraw/zinc/72/36/09/541723609.db2.gz XPUJJDGHMBJCAY-UHFFFAOYSA-N 0 3 364.405 2.474 20 30 FEEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000073793663 542000382 /nfs/dbraw/zinc/00/03/82/542000382.db2.gz RXUXQTOIEYJKEH-IBGZPJMESA-N 0 3 366.465 2.409 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(CN2CCOCC2)CC1 ZINC000076682650 542312258 /nfs/dbraw/zinc/31/22/58/542312258.db2.gz ZIEQAGBEHKEIRS-NRFANRHFSA-N 0 3 374.525 2.199 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000081998055 542682451 /nfs/dbraw/zinc/68/24/51/542682451.db2.gz NASFGOBUCDHSHR-MRXNPFEDSA-N 0 3 359.470 2.331 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000089134906 542758615 /nfs/dbraw/zinc/75/86/15/542758615.db2.gz DOOOEPRJZQYRLS-VQTJNVASSA-N 0 3 354.498 2.359 20 30 FEEDHN C=CCNC(=O)c1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)nc1 ZINC000089644439 542767458 /nfs/dbraw/zinc/76/74/58/542767458.db2.gz KDGYSLQFSOIUBP-RBUKOAKNSA-N 0 3 366.465 2.045 20 30 FEEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000090116551 542782390 /nfs/dbraw/zinc/78/23/90/542782390.db2.gz KCPJRBZZFBWWMM-YJBOKZPZSA-N 0 3 352.438 2.278 20 30 FEEDHN CN(CCN1CCOCC1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000092974684 542898699 /nfs/dbraw/zinc/89/86/99/542898699.db2.gz HBELHNZYRXALPT-UHFFFAOYSA-N 0 3 353.470 2.228 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1c(=O)cnc2ccccc21)C(C)C ZINC000101684436 543041382 /nfs/dbraw/zinc/04/13/82/543041382.db2.gz JIEGXKOXGAANKW-IBGZPJMESA-N 0 3 368.481 2.211 20 30 FEEDHN C=CCOc1cccc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000102046999 543056686 /nfs/dbraw/zinc/05/66/86/543056686.db2.gz HHJXUBKBMQXZRP-SFHVURJKSA-N 0 3 374.485 2.316 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(n3cncn3)CC1)CCC2 ZINC000103471949 543109736 /nfs/dbraw/zinc/10/97/36/543109736.db2.gz MRLHPXIUEFBXJU-UHFFFAOYSA-N 0 3 370.482 2.366 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)N(CCC#N)CCC(C)C)CC1=O ZINC000105329479 543171859 /nfs/dbraw/zinc/17/18/59/543171859.db2.gz OPBXGWWVUVEEHK-MSOLQXFVSA-N 0 3 362.518 2.108 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Cc2csc(-c3cnccn3)n2)CC1 ZINC000106034723 543186117 /nfs/dbraw/zinc/18/61/17/543186117.db2.gz VBPVFKHBGAEEMV-UHFFFAOYSA-N 0 3 357.483 2.299 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000106038101 543186448 /nfs/dbraw/zinc/18/64/48/543186448.db2.gz DMVFQTBBZXRBMS-UHFFFAOYSA-N 0 3 368.481 2.403 20 30 FEEDHN C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000106290997 543221734 /nfs/dbraw/zinc/22/17/34/543221734.db2.gz ANCBBHKROVWRMV-GOSISDBHSA-N 0 3 371.481 2.154 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCC1(c2cccc(OC)c2)CCCC1 ZINC000108407147 543289402 /nfs/dbraw/zinc/28/94/02/543289402.db2.gz XDUQHFOADPWTOW-OAHLLOKOSA-N 0 3 359.470 2.497 20 30 FEEDHN COc1cc(/C=C/C(=O)N(C)C[C@@H]2CCCN(C)C2)ccc1OCC#N ZINC000115443950 543568433 /nfs/dbraw/zinc/56/84/33/543568433.db2.gz FPRVZCMORPRCLE-UGAXZCSASA-N 0 3 357.454 2.411 20 30 FEEDHN CC(C)(CCC#N)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000121830932 543700251 /nfs/dbraw/zinc/70/02/51/543700251.db2.gz QZGLMGFBKXDPBB-UHFFFAOYSA-N 0 3 359.499 2.204 20 30 FEEDHN C#CCOc1cccc(NC(=O)NC[C@@H](C)CN2CCN(CC)CC2)c1 ZINC000118821254 543660434 /nfs/dbraw/zinc/66/04/34/543660434.db2.gz BPVONZWKLITJEH-QGZVFWFLSA-N 0 3 358.486 2.094 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000124451217 543822575 /nfs/dbraw/zinc/82/25/75/543822575.db2.gz YJZPOGQOFAEEOP-WMZOPIPTSA-N 0 3 357.454 2.048 20 30 FEEDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000124261973 543810843 /nfs/dbraw/zinc/81/08/43/543810843.db2.gz KZNLRLSRMZTVGA-UHFFFAOYSA-N 0 3 368.359 2.070 20 30 FEEDHN CN1CCN([C@H]2CCCCN(C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000126622923 543947354 /nfs/dbraw/zinc/94/73/54/543947354.db2.gz QPNJRVURBXFZON-KRWDZBQOSA-N 0 3 359.449 2.331 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)CN1C1CC1 ZINC000127901244 544020397 /nfs/dbraw/zinc/02/03/97/544020397.db2.gz GWWNTMNYZDFVOG-AEFFLSMTSA-N 0 3 367.497 2.405 20 30 FEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000128582600 544061266 /nfs/dbraw/zinc/06/12/66/544061266.db2.gz KCHUMKBEUUTKCB-INIZCTEOSA-N 0 3 360.433 2.263 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)cc1C ZINC000131152401 544178803 /nfs/dbraw/zinc/17/88/03/544178803.db2.gz OFJHNTGOHXRBLO-ROUUACIJSA-N 0 3 356.470 2.184 20 30 FEEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCCN(CCO)CC1 ZINC000131563090 544195973 /nfs/dbraw/zinc/19/59/73/544195973.db2.gz KUDDYMBZVOFCOQ-UHFFFAOYSA-N 0 3 362.380 2.212 20 30 FEEDHN CN1CCN(CCCCNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000131794356 544207451 /nfs/dbraw/zinc/20/74/51/544207451.db2.gz RIIMVCMSQSLUNW-IBGZPJMESA-N 0 3 357.502 2.358 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc2c(c1)OCO2 ZINC000132802627 544244251 /nfs/dbraw/zinc/24/42/51/544244251.db2.gz IPLHLFPYIFMLSD-UHFFFAOYSA-N 0 3 365.433 2.420 20 30 FEEDHN C[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)CN1CCN(C)CC1 ZINC000133827544 544284959 /nfs/dbraw/zinc/28/49/59/544284959.db2.gz YJOXCLCYYXAATE-PKOBYXMFSA-N 0 3 357.502 2.214 20 30 FEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000133920212 544287987 /nfs/dbraw/zinc/28/79/87/544287987.db2.gz PUPZNEPVBKLYOC-HNNXBMFYSA-N 0 3 356.470 2.226 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000134128012 544295111 /nfs/dbraw/zinc/29/51/11/544295111.db2.gz STPRTESXLMGVSS-INIZCTEOSA-N 0 3 359.470 2.380 20 30 FEEDHN COc1ccc(OCCN(C)C[C@H](O)COc2ccccc2C#N)cc1 ZINC000141583050 544413477 /nfs/dbraw/zinc/41/34/77/544413477.db2.gz KNUIYHNDONXKFT-KRWDZBQOSA-N 0 3 356.422 2.317 20 30 FEEDHN CN(C)CCn1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cn1 ZINC000151395421 544535907 /nfs/dbraw/zinc/53/59/07/544535907.db2.gz USSNIRGRPVHDQA-UHFFFAOYSA-N 0 3 368.441 2.064 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000152403195 544648224 /nfs/dbraw/zinc/64/82/24/544648224.db2.gz OGLUKDGCPLHBPS-FUHWJXTLSA-N 0 3 367.453 2.104 20 30 FEEDHN CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc([O-])c(Br)c1 ZINC000153462554 544778767 /nfs/dbraw/zinc/77/87/67/544778767.db2.gz JNKFYSKLZVKCFW-LBPRGKRZSA-N 0 3 355.280 2.043 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc(F)c1C#N ZINC000188184896 328071720 /nfs/dbraw/zinc/07/17/20/328071720.db2.gz MFYGATURGHHEJY-NRFANRHFSA-N 0 3 367.424 2.406 20 30 FEEDHN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000188402686 328084820 /nfs/dbraw/zinc/08/48/20/328084820.db2.gz XCZIBQDPAQIJKX-MRXNPFEDSA-N 0 3 372.513 2.389 20 30 FEEDHN CCOCCOCCN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000190257928 328197068 /nfs/dbraw/zinc/19/70/68/328197068.db2.gz UHDJFVONVDNLKZ-UHFFFAOYSA-N 0 3 365.499 2.422 20 30 FEEDHN CCOC(=O)C1CCC(O)(CN2CCN(c3ccccc3C#N)CC2)CC1 ZINC000190853316 328236161 /nfs/dbraw/zinc/23/61/61/328236161.db2.gz FMOFTJXFNWMCSM-UHFFFAOYSA-N 0 3 371.481 2.165 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccnc(C#N)c2)CC1 ZINC000192679034 328332720 /nfs/dbraw/zinc/33/27/20/328332720.db2.gz HTKZIIGFPIPEKQ-UHFFFAOYSA-N 0 3 363.465 2.021 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000081995864 325206012 /nfs/dbraw/zinc/20/60/12/325206012.db2.gz MZUJGQARZYECFY-MRXNPFEDSA-N 0 3 359.470 2.331 20 30 FEEDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000084347758 325234147 /nfs/dbraw/zinc/23/41/47/325234147.db2.gz CLKJNBNNTONEFY-UHFFFAOYSA-N 0 3 356.451 2.149 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)ccc1F ZINC000107707544 325633737 /nfs/dbraw/zinc/63/37/37/325633737.db2.gz OTEGCIVSWXMUKD-OAHLLOKOSA-N 0 3 351.447 2.336 20 30 FEEDHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109404081 325667207 /nfs/dbraw/zinc/66/72/07/325667207.db2.gz DYAGJAWWHOUXRX-JKSUJKDBSA-N 0 3 359.449 2.012 20 30 FEEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cn1 ZINC000120980850 326303846 /nfs/dbraw/zinc/30/38/46/326303846.db2.gz BCAJTWZIFSREFG-UHFFFAOYSA-N 0 3 350.422 2.410 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000121456732 326340321 /nfs/dbraw/zinc/34/03/21/326340321.db2.gz IIIKUUQTXWVJED-MRXNPFEDSA-N 0 3 372.860 2.187 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(N(C)C)ccn1 ZINC000131437700 326574843 /nfs/dbraw/zinc/57/48/43/326574843.db2.gz MLISKSKDXSBXKD-UHFFFAOYSA-N 0 3 351.454 2.223 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN2CC[C@H](CN3CCCCC3)C2)c1 ZINC000156790923 326844086 /nfs/dbraw/zinc/84/40/86/326844086.db2.gz JWYBVGAUBCZPHM-GOSISDBHSA-N 0 3 361.511 2.140 20 30 FEEDHN CCCCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000156815443 326844915 /nfs/dbraw/zinc/84/49/15/326844915.db2.gz VFJZWXHDJKPFNR-UHFFFAOYSA-N 0 3 366.443 2.009 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000171768088 327160064 /nfs/dbraw/zinc/16/00/64/327160064.db2.gz HDHQCJXPGGEOED-KRWDZBQOSA-N 0 3 355.486 2.122 20 30 FEEDHN CNC(=O)CC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000175032041 327369518 /nfs/dbraw/zinc/36/95/18/327369518.db2.gz XITTVZXLFWWBAV-UHFFFAOYSA-N 0 3 374.510 2.285 20 30 FEEDHN C[C@H](O)CC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000175564324 327399705 /nfs/dbraw/zinc/39/97/05/327399705.db2.gz NDRIOWGDNKFMCI-INIZCTEOSA-N 0 3 360.502 2.429 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000275857729 330096764 /nfs/dbraw/zinc/09/67/64/330096764.db2.gz LUCUGSASBFLRDZ-CQSZACIVSA-N 0 3 372.469 2.084 20 30 FEEDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000276176179 330126477 /nfs/dbraw/zinc/12/64/77/330126477.db2.gz LOYFBUNPEURHOX-KGLIPLIRSA-N 0 3 360.845 2.235 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000367186831 330227631 /nfs/dbraw/zinc/22/76/31/330227631.db2.gz PXLWMFNXMTUHGP-RDTXWAMCSA-N 0 3 359.449 2.187 20 30 FEEDHN C=CCOc1cccnc1C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000478479992 561168010 /nfs/dbraw/zinc/16/80/10/561168010.db2.gz WWDUPZKWVPVFNY-UHFFFAOYSA-N 0 3 354.410 2.012 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000478615544 561171196 /nfs/dbraw/zinc/17/11/96/561171196.db2.gz MUEYPHJWMDGEOZ-HNNXBMFYSA-N 0 3 367.440 2.065 20 30 FEEDHN CN(CCC#N)c1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000162673234 546141976 /nfs/dbraw/zinc/14/19/76/546141976.db2.gz HVQWHJVXXZNNEU-UHFFFAOYSA-N 0 3 370.497 2.107 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(NC(=O)c3ccoc3)CC2)cc1 ZINC000166530651 546156945 /nfs/dbraw/zinc/15/69/45/546156945.db2.gz ZINPUZLBPYCCNU-UHFFFAOYSA-N 0 3 366.421 2.374 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)CC1 ZINC000171726969 546221840 /nfs/dbraw/zinc/22/18/40/546221840.db2.gz JGGPBBWXXAHZTN-UHFFFAOYSA-N 0 3 361.398 2.152 20 30 FEEDHN C=CCN1CCC(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)CC1 ZINC000173197907 546275815 /nfs/dbraw/zinc/27/58/15/546275815.db2.gz PDUCMANOFRYWEP-UHFFFAOYSA-N 0 3 357.502 2.308 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000173579001 546283799 /nfs/dbraw/zinc/28/37/99/546283799.db2.gz IOPKQVZQRDMCEE-KRWDZBQOSA-N 0 3 361.873 2.460 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000174738161 546302572 /nfs/dbraw/zinc/30/25/72/546302572.db2.gz LONLJHRMXRVUPX-CYBMUJFWSA-N 0 3 356.401 2.398 20 30 FEEDHN CCN1CCN(CCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000175719113 546338931 /nfs/dbraw/zinc/33/89/31/546338931.db2.gz ARWYGBJIDKYAHD-UHFFFAOYSA-N 0 3 367.415 2.201 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000176586309 546465026 /nfs/dbraw/zinc/46/50/26/546465026.db2.gz IDDHMEPRQQNCIB-KRWDZBQOSA-N 0 3 358.486 2.224 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCOC(F)(F)F)cc1 ZINC000481038320 561223624 /nfs/dbraw/zinc/22/36/24/561223624.db2.gz QRZHMUONMLYWMO-VIFPVBQESA-N 0 3 365.333 2.030 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC([C@@H](C)NC(C)=O)CC1 ZINC000481150137 561226450 /nfs/dbraw/zinc/22/64/50/561226450.db2.gz XJMVLACLVFUQMB-OXQOHEQNSA-N 0 3 360.498 2.391 20 30 FEEDHN CCCN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000178496665 546803806 /nfs/dbraw/zinc/80/38/06/546803806.db2.gz MYWJPIHLYSSMFQ-GOSISDBHSA-N 0 3 366.469 2.053 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)CC1 ZINC000179386296 546944532 /nfs/dbraw/zinc/94/45/32/546944532.db2.gz RTWDTOBVNXPBMN-UHFFFAOYSA-N 0 3 354.410 2.047 20 30 FEEDHN Cn1cc(CN2CCC[C@H](CCC(N)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180011020 547038681 /nfs/dbraw/zinc/03/86/81/547038681.db2.gz YWRBNOLISLBHOU-MRXNPFEDSA-N 0 3 351.454 2.436 20 30 FEEDHN C=CCNc1ncc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)s1 ZINC000180353540 547090645 /nfs/dbraw/zinc/09/06/45/547090645.db2.gz PROTZLNHLAPQKK-INIZCTEOSA-N 0 3 372.494 2.238 20 30 FEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cnn(Cc2ccccc2)c1 ZINC000180867232 547196882 /nfs/dbraw/zinc/19/68/82/547196882.db2.gz LFJIAQOLUAGBLN-DNTCVELPSA-N 0 3 365.437 2.108 20 30 FEEDHN Cc1csc2ncc(C(=O)C(C#N)c3cnc4ccccc4n3)c(=O)n12 ZINC000483219986 561271074 /nfs/dbraw/zinc/27/10/74/561271074.db2.gz VNSQFTRLTCYCNX-LLVKDONJSA-N 0 3 361.386 2.498 20 30 FEEDHN COc1ccc([C@H](CCO)NC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000182405594 547487219 /nfs/dbraw/zinc/48/72/19/547487219.db2.gz YTHVYVWNBFIWIU-PXNSSMCTSA-N 0 3 356.422 2.020 20 30 FEEDHN Cn1cnc(-c2ccc(C(=O)C(C#N)c3nnc4n3CCCCC4)cc2)n1 ZINC000182868488 547564165 /nfs/dbraw/zinc/56/41/65/547564165.db2.gz RHMCCQSNDRZWSV-HNNXBMFYSA-N 0 3 361.409 2.290 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000183365301 547645505 /nfs/dbraw/zinc/64/55/05/547645505.db2.gz FVSLFYUEEPWBPI-GGPKGHCWSA-N 0 3 356.514 2.461 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000184212593 547788130 /nfs/dbraw/zinc/78/81/30/547788130.db2.gz XJPLKNHZIDVVBW-UHFFFAOYSA-N 0 3 360.527 2.448 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184584824 547850492 /nfs/dbraw/zinc/85/04/92/547850492.db2.gz ZGYUQZNQSJHTML-SJORKVTESA-N 0 3 365.441 2.229 20 30 FEEDHN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@H]1COc2ccccc21 ZINC000185582842 548004936 /nfs/dbraw/zinc/00/49/36/548004936.db2.gz ISDQJRPMEKMTST-KBXCAEBGSA-N 0 3 356.447 2.486 20 30 FEEDHN CN(Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)C1CC1 ZINC000186071511 548079752 /nfs/dbraw/zinc/07/97/52/548079752.db2.gz CPFAAEFANJGZID-IBGZPJMESA-N 0 3 370.478 2.142 20 30 FEEDHN Cc1cc(N(CCC#N)C(=O)CNC(C)(C)CC(N)=O)ccc1Cl ZINC000186257365 548107365 /nfs/dbraw/zinc/10/73/65/548107365.db2.gz GRSFTJRUPPPCKK-UHFFFAOYSA-N 0 3 350.850 2.139 20 30 FEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000186699950 548175729 /nfs/dbraw/zinc/17/57/29/548175729.db2.gz LTFQDTFRPPEHKH-RDJZCZTQSA-N 0 3 352.500 2.449 20 30 FEEDHN N#CCCN(C(=O)CCC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000188656890 548283591 /nfs/dbraw/zinc/28/35/91/548283591.db2.gz IWYHQIYFCZTWEP-UHFFFAOYSA-N 0 3 354.454 2.020 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCSC[C@@H]2c2cnn(C)c2)CC1 ZINC000188681252 548286017 /nfs/dbraw/zinc/28/60/17/548286017.db2.gz XYTFEMSEOOZYDK-QGZVFWFLSA-N 0 3 363.531 2.260 20 30 FEEDHN CN(C)CCn1c2cc(NC(=O)Cc3ccc(C#N)cc3)ccc2oc1=O ZINC000194762674 548528576 /nfs/dbraw/zinc/52/85/76/548528576.db2.gz RIYNXMKPDHHVMT-UHFFFAOYSA-N 0 3 364.405 2.209 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000487745177 561374901 /nfs/dbraw/zinc/37/49/01/561374901.db2.gz VQPHKJJBLYIBLW-WDSOQIARSA-N 0 3 372.513 2.394 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(C#N)c2C)CC1=O ZINC000245668565 548970113 /nfs/dbraw/zinc/97/01/13/548970113.db2.gz BSRIZBVBJMJJPE-IRXDYDNUSA-N 0 3 354.454 2.138 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247142201 549290865 /nfs/dbraw/zinc/29/08/65/549290865.db2.gz YAFYDFMNDPVIQI-DYESRHJHSA-N 0 3 354.498 2.391 20 30 FEEDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cnc(C)c(C#N)c2)C1 ZINC000489248577 561406520 /nfs/dbraw/zinc/40/65/20/561406520.db2.gz GXZGJXGFOWFNKR-HNNXBMFYSA-N 0 3 364.515 2.441 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1Cc1ccccc1 ZINC000247705065 549373223 /nfs/dbraw/zinc/37/32/23/549373223.db2.gz YRCYEDCWTWCRNB-DYESRHJHSA-N 0 3 354.498 2.391 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1C#N ZINC000249170675 549563987 /nfs/dbraw/zinc/56/39/87/549563987.db2.gz LFGVRBJVFQDEAE-WMLDXEAASA-N 0 3 372.469 2.083 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000249172072 549564066 /nfs/dbraw/zinc/56/40/66/549564066.db2.gz LKIDJHDABLENML-MAUKXSAKSA-N 0 3 359.470 2.379 20 30 FEEDHN CCOc1c(Br)cc(Br)cc1C=NNC(=N)N ZINC000252448194 549665773 /nfs/dbraw/zinc/66/57/73/549665773.db2.gz TUBZFZOFXHQTBD-UHFFFAOYSA-N 0 3 364.041 2.427 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000490373062 561431838 /nfs/dbraw/zinc/43/18/38/561431838.db2.gz OJHCAJTZSKTZHI-CQSZACIVSA-N 0 3 360.845 2.237 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](CC)[C@H](N2CCOCC2)C1 ZINC000490415570 561432687 /nfs/dbraw/zinc/43/26/87/561432687.db2.gz KGNCRKPHAGZDPA-CEWLAPEOSA-N 0 3 374.525 2.197 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)CC1 ZINC000264285781 549993743 /nfs/dbraw/zinc/99/37/43/549993743.db2.gz VFAMPUXUDUNPDO-QGZVFWFLSA-N 0 3 355.482 2.364 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3ccccc3OC)CC2)CC1 ZINC000264333118 549994767 /nfs/dbraw/zinc/99/47/67/549994767.db2.gz FXDAGOXOZJWQLA-UHFFFAOYSA-N 0 3 358.486 2.177 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 ZINC000264370149 549995030 /nfs/dbraw/zinc/99/50/30/549995030.db2.gz JJFNUNXPIOJKFP-WMZOPIPTSA-N 0 3 355.482 2.363 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000264369388 549995523 /nfs/dbraw/zinc/99/55/23/549995523.db2.gz ISENQJKIIRTVGI-INIZCTEOSA-N 0 3 358.486 2.031 20 30 FEEDHN COc1cc(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1C#N ZINC000491124761 561443150 /nfs/dbraw/zinc/44/31/50/561443150.db2.gz WBTMEYBHUAWJOC-IIDMSEBBSA-N 0 3 356.470 2.439 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](N)C(C)C)nc1C ZINC000269074997 550152016 /nfs/dbraw/zinc/15/20/16/550152016.db2.gz BPFWBVKHLRKZTB-SECBINFHSA-N 0 3 352.489 2.107 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)N1CCC[C@H](C)C1 ZINC000269108972 550156312 /nfs/dbraw/zinc/15/63/12/550156312.db2.gz PWEIKSVJHHOPDE-QWHCGFSZSA-N 0 3 362.861 2.387 20 30 FEEDHN COc1ccc([C@H](C#N)N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)cc1 ZINC000492817531 561452901 /nfs/dbraw/zinc/45/29/01/561452901.db2.gz KVHSRHYMFPQSKW-UXHICEINSA-N 0 3 368.481 2.031 20 30 FEEDHN COCCNC(=O)[C@H](CC(C)C)NCc1ccc(N(C)CCC#N)cc1 ZINC000270063257 550246254 /nfs/dbraw/zinc/24/62/54/550246254.db2.gz GVDMIWHUSKEYRV-IBGZPJMESA-N 0 3 360.502 2.303 20 30 FEEDHN CN(C)CCn1c2cc(NC(=O)c3ccc(CC#N)cc3)ccc2oc1=O ZINC000270346000 550263387 /nfs/dbraw/zinc/26/33/87/550263387.db2.gz MPAVVPRTKVMQPN-UHFFFAOYSA-N 0 3 364.405 2.474 20 30 FEEDHN C#CC[C@H](NC(=O)NC[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC000270478422 550275979 /nfs/dbraw/zinc/27/59/79/550275979.db2.gz WFMNZWNDEOLZNT-ICSRJNTNSA-N 0 3 356.514 2.324 20 30 FEEDHN N#Cc1ccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000270572761 550284774 /nfs/dbraw/zinc/28/47/74/550284774.db2.gz BUPDJVMQBKEWNS-SFTDATJTSA-N 0 3 363.461 2.100 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1N(C)C ZINC000270686922 550297034 /nfs/dbraw/zinc/29/70/34/550297034.db2.gz WLZZDTRVJFLZMN-KGLIPLIRSA-N 0 3 352.529 2.153 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)CC1 ZINC000494104299 561462620 /nfs/dbraw/zinc/46/26/20/561462620.db2.gz BYTIGAYQXHHJER-HXUWFJFHSA-N 0 3 356.514 2.205 20 30 FEEDHN C[C@@H]1OCC[C@]1(C)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000494207096 561464540 /nfs/dbraw/zinc/46/45/40/561464540.db2.gz BAQGDFBKZMNLOD-GUYCJALGSA-N 0 3 354.372 2.330 20 30 FEEDHN C#CCCN1CCN(C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000272003599 550415969 /nfs/dbraw/zinc/41/59/69/550415969.db2.gz INOWDCXHOLROAN-APWZRJJASA-N 0 3 350.890 2.419 20 30 FEEDHN Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)nn1CCC#N ZINC000272142603 550425348 /nfs/dbraw/zinc/42/53/48/550425348.db2.gz WTEXBPWUANPUAL-KRWDZBQOSA-N 0 3 354.458 2.400 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000273018033 550480758 /nfs/dbraw/zinc/48/07/58/550480758.db2.gz SXESXEPPXWPZES-INIZCTEOSA-N 0 3 356.470 2.367 20 30 FEEDHN N#Cc1ccc(/C=C/C(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 ZINC000273135081 550486824 /nfs/dbraw/zinc/48/68/24/550486824.db2.gz SGTXPCUSWMAWDP-GLCJEOIMSA-N 0 3 361.445 2.454 20 30 FEEDHN CS[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1N1CCCC1 ZINC000273573039 550503775 /nfs/dbraw/zinc/50/37/75/550503775.db2.gz ZUBNYFGMSFQBGD-QZTJIDSGSA-N 0 3 359.495 2.170 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(OC(F)F)n(C)n1)C(C)C ZINC000274299603 550531462 /nfs/dbraw/zinc/53/14/62/550531462.db2.gz RYVWRSDHZCCZMN-AWEZNQCLSA-N 0 3 356.417 2.450 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(Cn2cncn2)CC1)C(C)C ZINC000275266843 550571156 /nfs/dbraw/zinc/57/11/56/550571156.db2.gz PYQGKGOHIKDIPF-LJQANCHMSA-N 0 3 374.533 2.398 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]nc1-c1cnn(C)c1)C(C)C ZINC000275498682 550572509 /nfs/dbraw/zinc/57/25/09/550572509.db2.gz LEVWWAQJNXLDIV-KRWDZBQOSA-N 0 3 356.474 2.239 20 30 FEEDHN CCCn1ccnc1CCCN(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000277236117 550646473 /nfs/dbraw/zinc/64/64/73/550646473.db2.gz PDMDJEOXIAJKQN-UHFFFAOYSA-N 0 3 353.470 2.346 20 30 FEEDHN C#CCN1CCC(c2nc(-c3cccc(OCCN(C)C)c3)no2)CC1 ZINC000277760235 550710981 /nfs/dbraw/zinc/71/09/81/550710981.db2.gz CZQKIDHKRVOPGT-UHFFFAOYSA-N 0 3 354.454 2.490 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000278485270 550791478 /nfs/dbraw/zinc/79/14/78/550791478.db2.gz LGURWTNCQMTXED-BBOMDTFKSA-N 0 3 369.465 2.314 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NC(=O)C3CCN(C4CC4)CC3)C2=O)cc1 ZINC000278823345 550825786 /nfs/dbraw/zinc/82/57/86/550825786.db2.gz PVLSWJNENHMCFN-IBGZPJMESA-N 0 3 366.465 2.044 20 30 FEEDHN N#Cc1c(NC(=O)CCN2CC[C@]3(CNC(=O)C3)C2)sc2c1CCCC2 ZINC000278919329 550835960 /nfs/dbraw/zinc/83/59/60/550835960.db2.gz RIMJQXGAZUWDEK-IBGZPJMESA-N 0 3 372.494 2.039 20 30 FEEDHN C[C@H](CN1CCOCC1)N(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279384896 550884235 /nfs/dbraw/zinc/88/42/35/550884235.db2.gz JRURSHOBARNQSU-QGZVFWFLSA-N 0 3 368.485 2.011 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000280172599 550967712 /nfs/dbraw/zinc/96/77/12/550967712.db2.gz CKMBFCOWZHLBRQ-HLIPFELVSA-N 0 3 368.481 2.246 20 30 FEEDHN CN(C)C(=O)c1cccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280490913 550999923 /nfs/dbraw/zinc/99/99/23/550999923.db2.gz QEXPJBBRIRCQDW-FQEVSTJZSA-N 0 3 374.444 2.301 20 30 FEEDHN Cc1ccoc1C(=O)NCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280634913 551015705 /nfs/dbraw/zinc/01/57/05/551015705.db2.gz ZBLBOSPDSKFWEN-KRWDZBQOSA-N 0 3 364.405 2.078 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1cnc2sccc2c1=O)C(C)C ZINC000496013076 561491843 /nfs/dbraw/zinc/49/18/43/561491843.db2.gz GUUDOHBITMZIGX-INIZCTEOSA-N 0 3 374.510 2.273 20 30 FEEDHN C[C@@H]1OCC[C@@]12CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000281349260 551087051 /nfs/dbraw/zinc/08/70/51/551087051.db2.gz XOXLLFUIOUYWHQ-HCCHORAYSA-N 0 3 353.422 2.035 20 30 FEEDHN Cc1ccc(CNCCNC(=O)C2N=CC=CC2=O)c(-c2cnn(C)c2)c1 ZINC000282624284 551253198 /nfs/dbraw/zinc/25/31/98/551253198.db2.gz JUTWTBBHAAUCJI-VXPUYCOJSA-N 0 3 365.437 2.012 20 30 FEEDHN COc1ccc(CN[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1C#N ZINC000282951331 551288971 /nfs/dbraw/zinc/28/89/71/551288971.db2.gz JRRWTDQMWBCYJQ-GOSISDBHSA-N 0 3 365.433 2.336 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000284474846 551556913 /nfs/dbraw/zinc/55/69/13/551556913.db2.gz OJEMYWPGJSHVKR-UHFFFAOYSA-N 0 3 355.482 2.276 20 30 FEEDHN C#CCCOc1ccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000284571915 551580232 /nfs/dbraw/zinc/58/02/32/551580232.db2.gz PBYWTCDZJHRHAU-WIYYLYMNSA-N 0 3 366.465 2.274 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccccn1)C(C)C ZINC000284786187 551632849 /nfs/dbraw/zinc/63/28/49/551632849.db2.gz KCBZAGSKIISALV-FUHWJXTLSA-N 0 3 358.486 2.074 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000284900349 551662367 /nfs/dbraw/zinc/66/23/67/551662367.db2.gz SZAIPFKBNIHKBZ-ZESCBINXSA-N 0 3 357.454 2.137 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](C)c2ccc(F)cc2)CC1 ZINC000285086612 551702305 /nfs/dbraw/zinc/70/23/05/551702305.db2.gz PJVWEBANHLAGLM-OAHLLOKOSA-N 0 3 361.461 2.202 20 30 FEEDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCCn1cnc(C#N)n1 ZINC000285348238 551741907 /nfs/dbraw/zinc/74/19/07/551741907.db2.gz ATCBXQCBTAWBTR-UHFFFAOYSA-N 0 3 355.833 2.396 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCCCc2cccc(Cl)c2)CC1 ZINC000285563261 551775334 /nfs/dbraw/zinc/77/53/34/551775334.db2.gz CCWNOMIIUANFDV-UHFFFAOYSA-N 0 3 363.889 2.155 20 30 FEEDHN COc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)c(C)c1OC ZINC000285946251 551830288 /nfs/dbraw/zinc/83/02/88/551830288.db2.gz DUBGCHWEHQRXRN-HDRCJFCASA-N 0 3 359.426 2.189 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286245794 551865281 /nfs/dbraw/zinc/86/52/81/551865281.db2.gz ZTXUGQLFPYXOGB-AFYVEPGGSA-N 0 3 355.482 2.499 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCC2(c3cccc(F)c3)CC2)CC1 ZINC000286477904 551890625 /nfs/dbraw/zinc/89/06/25/551890625.db2.gz JBJBVGAUCOBYHF-UHFFFAOYSA-N 0 3 373.472 2.130 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000286541177 551897655 /nfs/dbraw/zinc/89/76/55/551897655.db2.gz CDJHOUVCCCTIJY-SWLSCSKDSA-N 0 3 353.875 2.459 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000286624311 551907410 /nfs/dbraw/zinc/90/74/10/551907410.db2.gz MBRDFFWTZDKZJO-OALUTQOASA-N 0 3 355.482 2.206 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000286626912 551908061 /nfs/dbraw/zinc/90/80/61/551908061.db2.gz MDONLGDSTBWEFT-LJQANCHMSA-N 0 3 373.472 2.468 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCCO2)cc1 ZINC000287117231 551965711 /nfs/dbraw/zinc/96/57/11/551965711.db2.gz KLSPWXIBAMJBJR-HIFRSBDPSA-N 0 3 365.455 2.405 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(F)(F)C(F)F)cc1 ZINC000287478950 552009539 /nfs/dbraw/zinc/00/95/39/552009539.db2.gz YVESRGOYQQRTMB-MRVPVSSYSA-N 0 3 367.324 2.394 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000287996746 552072849 /nfs/dbraw/zinc/07/28/49/552072849.db2.gz GNAVWLCJNCILEP-IUODEOHRSA-N 0 3 360.845 2.235 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288136620 552097653 /nfs/dbraw/zinc/09/76/53/552097653.db2.gz OJURSCIPAHCTOP-GXTWGEPZSA-N 0 3 360.845 2.235 20 30 FEEDHN C=CCCCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000288171172 552103900 /nfs/dbraw/zinc/10/39/00/552103900.db2.gz MPYMPHPRMRRHCL-MJGOQNOKSA-N 0 3 357.498 2.486 20 30 FEEDHN N#CC1(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CCOCC1 ZINC000288258764 552120949 /nfs/dbraw/zinc/12/09/49/552120949.db2.gz GKWVBXRHSZLBEA-HXUWFJFHSA-N 0 3 353.466 2.431 20 30 FEEDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288933223 552238849 /nfs/dbraw/zinc/23/88/49/552238849.db2.gz WZDNZGCFQFULSL-AWEZNQCLSA-N 0 3 361.490 2.290 20 30 FEEDHN CC(C)[C@](C)(NCCC(=O)Nc1sc2c(c1C#N)CCCC2)C(N)=O ZINC000289345256 552304716 /nfs/dbraw/zinc/30/47/16/552304716.db2.gz MIAJTLIVWPZFIO-SFHVURJKSA-N 0 3 362.499 2.317 20 30 FEEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289361371 552307089 /nfs/dbraw/zinc/30/70/89/552307089.db2.gz IVUYLBJFEWATHM-AEFFLSMTSA-N 0 3 350.413 2.062 20 30 FEEDHN CCN(CCC#N)C(=O)CN[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289361374 552307218 /nfs/dbraw/zinc/30/72/18/552307218.db2.gz IVUYLBJFEWATHM-WMZOPIPTSA-N 0 3 350.413 2.062 20 30 FEEDHN C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000289562902 552341398 /nfs/dbraw/zinc/34/13/98/552341398.db2.gz GEFNWGVAKREEPG-LJQANCHMSA-N 0 3 366.513 2.347 20 30 FEEDHN N#CCOc1ccc(CN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000290739438 552528943 /nfs/dbraw/zinc/52/89/43/552528943.db2.gz PZHRVSWUDVWRBZ-IBGZPJMESA-N 0 3 371.462 2.404 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](n3cccn3)C2)c(OC)c1 ZINC000292014056 552684855 /nfs/dbraw/zinc/68/48/55/552684855.db2.gz XXUXJAWFWXBIMH-QZTJIDSGSA-N 0 3 357.454 2.307 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1C#N ZINC000293335257 552812693 /nfs/dbraw/zinc/81/26/93/552812693.db2.gz DHQBRRUTFKNSQX-AWEZNQCLSA-N 0 3 354.454 2.138 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000293912785 552867340 /nfs/dbraw/zinc/86/73/40/552867340.db2.gz GFRKMNDEZIWRMU-UHFFFAOYSA-N 0 3 365.455 2.018 20 30 FEEDHN C=CCOc1ccc(CC(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1 ZINC000296550498 553177936 /nfs/dbraw/zinc/17/79/36/553177936.db2.gz OPVORNVHDNOACH-UHFFFAOYSA-N 0 3 355.438 2.156 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502939781 561630543 /nfs/dbraw/zinc/63/05/43/561630543.db2.gz MYYANRLXKOPDIL-HNNXBMFYSA-N 0 3 360.458 2.128 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cn(C)nc2C2CCCCC2)CC1 ZINC000297435824 553292143 /nfs/dbraw/zinc/29/21/43/553292143.db2.gz PPHJICZELURZRR-UHFFFAOYSA-N 0 3 373.501 2.173 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(CO)(c3ccccc3)CC2)CC1 ZINC000297690520 553325262 /nfs/dbraw/zinc/32/52/62/553325262.db2.gz OWUGZMVMGJWXEP-UHFFFAOYSA-N 0 3 357.498 2.373 20 30 FEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000298051844 553377678 /nfs/dbraw/zinc/37/76/78/553377678.db2.gz FKCIOHXKEWSVSA-ILXRZTDVSA-N 0 3 361.467 2.437 20 30 FEEDHN CCO[C@@H]1C[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1SC ZINC000298130427 553387953 /nfs/dbraw/zinc/38/79/53/553387953.db2.gz PYDMVCNPCBDTKE-WNRNVDISSA-N 0 3 359.495 2.158 20 30 FEEDHN COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCO1 ZINC000298448445 553425743 /nfs/dbraw/zinc/42/57/43/553425743.db2.gz HHQNRSDKBIIPQR-CABCVRRESA-N 0 3 363.483 2.221 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC000298557190 553440002 /nfs/dbraw/zinc/44/00/02/553440002.db2.gz YSDMURRLULSTFR-HOTGVXAUSA-N 0 3 364.371 2.383 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000298929314 553490931 /nfs/dbraw/zinc/49/09/31/553490931.db2.gz HKGKUDWKBFXJGN-AWEZNQCLSA-N 0 3 358.486 2.447 20 30 FEEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000299023341 553504910 /nfs/dbraw/zinc/50/49/10/553504910.db2.gz NPNVISIKSMVROS-INIZCTEOSA-N 0 3 370.497 2.143 20 30 FEEDHN CCCCN(C)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504428408 561658078 /nfs/dbraw/zinc/65/80/78/561658078.db2.gz YKDKHEWHKKTQQK-SFHVURJKSA-N 0 3 371.485 2.085 20 30 FEEDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302708892 553727581 /nfs/dbraw/zinc/72/75/81/553727581.db2.gz YXXNJRLWSLJZAR-CYBMUJFWSA-N 0 3 369.425 2.296 20 30 FEEDHN CCN1CC[C@H]2OCCN(CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)[C@H]2C1 ZINC000328796577 553823352 /nfs/dbraw/zinc/82/33/52/553823352.db2.gz UYWJMMMROBVLHG-VVLHAWIVSA-N 0 3 366.506 2.231 20 30 FEEDHN CN(C(=O)NC[C@@H]1CCCN1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000328891336 553839636 /nfs/dbraw/zinc/83/96/36/553839636.db2.gz SHSWKVZCYRFCAA-IRXDYDNUSA-N 0 3 371.547 2.064 20 30 FEEDHN CN(C(=O)NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCNC1=O ZINC000328897258 553841043 /nfs/dbraw/zinc/84/10/43/553841043.db2.gz XIVBTKHTZNJREL-CQSZACIVSA-N 0 3 354.520 2.313 20 30 FEEDHN CCN1C[C@H](C)N(C(=O)NC2CCN(Cc3ccccn3)CC2)C[C@@H]1C ZINC000328977538 553857283 /nfs/dbraw/zinc/85/72/83/553857283.db2.gz QLDXAXSMRQAYNO-IRXDYDNUSA-N 0 3 359.518 2.375 20 30 FEEDHN C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)N1CCC[C@@H](C)C1 ZINC000329036995 553869030 /nfs/dbraw/zinc/86/90/30/553869030.db2.gz NDWPWGYFDFAHMT-NUABRCLCSA-N 0 3 367.534 2.273 20 30 FEEDHN C[C@H](NC1(CNC(=O)[C@H]2COCCN2C)CCOCC1)c1ccccc1 ZINC000329049752 553871593 /nfs/dbraw/zinc/87/15/93/553871593.db2.gz WCYKENVUUKEDBD-FUHWJXTLSA-N 0 3 361.486 2.174 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329076743 553875926 /nfs/dbraw/zinc/87/59/26/553875926.db2.gz PVQBPVGNCPCSOI-XOYOTBSWSA-N 0 3 351.491 2.067 20 30 FEEDHN CN1CCC2(CCCN2C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)CC1 ZINC000329090697 553878681 /nfs/dbraw/zinc/87/86/81/553878681.db2.gz WPESBZQWKSJILX-UHFFFAOYSA-N 0 3 356.470 2.420 20 30 FEEDHN CNC(=O)Cc1noc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)n1 ZINC000329101411 553880649 /nfs/dbraw/zinc/88/06/49/553880649.db2.gz ZRNXEVAETATNHQ-OWCLPIDISA-N 0 3 356.426 2.203 20 30 FEEDHN CN(C)[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)Cc1ccccc1 ZINC000329126331 553885383 /nfs/dbraw/zinc/88/53/83/553885383.db2.gz UFNAGAUQEFIGPQ-WSTZPKSXSA-N 0 3 361.486 2.001 20 30 FEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329204456 553901590 /nfs/dbraw/zinc/90/15/90/553901590.db2.gz YWFQSSUIXITEMU-JKSUJKDBSA-N 0 3 350.507 2.108 20 30 FEEDHN CN(C)[C@]1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CCSC1 ZINC000329233324 553907492 /nfs/dbraw/zinc/90/74/92/553907492.db2.gz LWJMBCBBXSSHNP-MRRJBJDNSA-N 0 3 356.536 2.461 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCCc3cc(F)cc4c3OCOC4)[C@H]2C1 ZINC000329299040 553920276 /nfs/dbraw/zinc/92/02/76/553920276.db2.gz UXHRJRHQAWNQGF-DYVFJYSZSA-N 0 3 363.433 2.175 20 30 FEEDHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000329338551 553928272 /nfs/dbraw/zinc/92/82/72/553928272.db2.gz NDWOFMLQLPAQFG-CABCVRRESA-N 0 3 365.499 2.269 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cnc2n[nH]nc2c1 ZINC000329402146 553939864 /nfs/dbraw/zinc/93/98/64/553939864.db2.gz BQZWQQFCSHELRP-UHFFFAOYSA-N 0 3 360.487 2.409 20 30 FEEDHN CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)C(C)C#N ZINC000506623496 561704083 /nfs/dbraw/zinc/70/40/83/561704083.db2.gz HFICJOXPLHFGNE-SECBINFHSA-N 0 3 358.261 2.135 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000329628218 553978954 /nfs/dbraw/zinc/97/89/54/553978954.db2.gz HEBLKECTXSVDRN-OWCLPIDISA-N 0 3 373.563 2.214 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H](C)N3CCC(C)CC3)C2)nn1 ZINC000329658860 553984194 /nfs/dbraw/zinc/98/41/94/553984194.db2.gz HKCJLBDUFDEMLG-MSOLQXFVSA-N 0 3 374.533 2.378 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](C)CN3CCCCC3)C2)nn1 ZINC000329697770 553991231 /nfs/dbraw/zinc/99/12/31/553991231.db2.gz YOEZWMKLCCWDPX-SJORKVTESA-N 0 3 360.506 2.132 20 30 FEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000329797675 554007995 /nfs/dbraw/zinc/00/79/95/554007995.db2.gz HKIJPKKSIYSTHX-HCXYKTFWSA-N 0 3 365.518 2.359 20 30 FEEDHN CC1(C)NC(=O)N(c2cccc(NC(=O)N3CCN4CCC[C@H]4C3)c2)C1=O ZINC000329822849 554013035 /nfs/dbraw/zinc/01/30/35/554013035.db2.gz QDONAPRVQZPKOH-HNNXBMFYSA-N 0 3 371.441 2.051 20 30 FEEDHN Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3CCCN3C3CCCC3)C2)c1=O ZINC000329834091 554015165 /nfs/dbraw/zinc/01/51/65/554015165.db2.gz LMYWGOOUKGJUTF-RDJZCZTQSA-N 0 3 373.501 2.113 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(OC)c(-c3ccnn3C)c2)CC1 ZINC000507282230 561723490 /nfs/dbraw/zinc/72/34/90/561723490.db2.gz ISFMVUDGANCHEH-UHFFFAOYSA-N 0 3 354.454 2.476 20 30 FEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000329897347 554027098 /nfs/dbraw/zinc/02/70/98/554027098.db2.gz LHDVWUAYTMDBBY-JJRVBVJISA-N 0 3 350.488 2.004 20 30 FEEDHN [O-]C(N[C@@H]1CCO[C@]2(CCSC2)C1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329897347 554027100 /nfs/dbraw/zinc/02/71/00/554027100.db2.gz LHDVWUAYTMDBBY-JJRVBVJISA-N 0 3 350.488 2.004 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC)[C@@H](c3ncc[nH]3)C2)CC1 ZINC000329952413 554037878 /nfs/dbraw/zinc/03/78/78/554037878.db2.gz ITWRUXQEHJUJJV-QGZVFWFLSA-N 0 3 360.506 2.043 20 30 FEEDHN CC(C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000330087880 554062200 /nfs/dbraw/zinc/06/22/00/554062200.db2.gz UFJILLYMOZSEIE-DOMZBBRYSA-N 0 3 371.503 2.446 20 30 FEEDHN Cc1ncc(S(=O)(=O)N2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)cc1C#N ZINC000330200763 554083869 /nfs/dbraw/zinc/08/38/69/554083869.db2.gz WXEZIQAILMRYCS-CPUCHLNUSA-N 0 3 362.499 2.288 20 30 FEEDHN O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCN(CC2CCOCC2)CC1 ZINC000330230724 554089287 /nfs/dbraw/zinc/08/92/87/554089287.db2.gz QTAUTBVXMQSBQP-QGZVFWFLSA-N 0 3 351.491 2.046 20 30 FEEDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330233382 554089924 /nfs/dbraw/zinc/08/99/24/554089924.db2.gz XWJXMOLXWUERCU-IXDOHACOSA-N 0 3 353.507 2.169 20 30 FEEDHN CC(C)(C)S(=O)(=O)N1CCC(NC(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000330248105 554092739 /nfs/dbraw/zinc/09/27/39/554092739.db2.gz ZDSILUUXBWNELT-MRXNPFEDSA-N 0 3 371.547 2.410 20 30 FEEDHN CCO[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C12CCC2 ZINC000330269634 554096467 /nfs/dbraw/zinc/09/64/67/554096467.db2.gz SDMIDUKPBCNWJI-CGTJXYLNSA-N 0 3 365.518 2.433 20 30 FEEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000330272353 554097341 /nfs/dbraw/zinc/09/73/41/554097341.db2.gz XNBDQMWQKOZCQE-UYAOXDASSA-N 0 3 371.481 2.139 20 30 FEEDHN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000330415219 554118632 /nfs/dbraw/zinc/11/86/32/554118632.db2.gz NJDZAFIFWXGYQG-JKSUJKDBSA-N 0 3 364.515 2.280 20 30 FEEDHN CNC(=O)c1cccc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1C ZINC000330864766 554180392 /nfs/dbraw/zinc/18/03/92/554180392.db2.gz NMTHEBIELGTYAM-GJZGRUSLSA-N 0 3 350.488 2.452 20 30 FEEDHN CS[C@@H]1CN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)C[C@@H]1N(C)C ZINC000330973080 554195807 /nfs/dbraw/zinc/19/58/07/554195807.db2.gz DDQNCTJHPDXWQO-LSDHHAIUSA-N 0 3 370.563 2.105 20 30 FEEDHN CC(C)NC(=O)NC1(C(=O)N[C@@H](C)C2=CCN(C)CC2)CCCCC1 ZINC000331022929 554202572 /nfs/dbraw/zinc/20/25/72/554202572.db2.gz TXLHBQDEMFCDAK-HNNXBMFYSA-N 0 3 350.507 2.368 20 30 FEEDHN CNC(=O)NC(=O)CCN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000331099639 554212700 /nfs/dbraw/zinc/21/27/00/554212700.db2.gz ARHQEMZDUVRJIA-MJBXVCDLSA-N 0 3 353.463 2.011 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1 ZINC000331150955 554222231 /nfs/dbraw/zinc/22/22/31/554222231.db2.gz ZXBGACVLRCZMLD-XHSDSOJGSA-N 0 3 373.563 2.023 20 30 FEEDHN C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000508810918 561773616 /nfs/dbraw/zinc/77/36/16/561773616.db2.gz QWOCISCFRIUCMX-QGZVFWFLSA-N 0 3 371.485 2.499 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000331384302 554255565 /nfs/dbraw/zinc/25/55/65/554255565.db2.gz AQNBUZPLZPOVND-INIZCTEOSA-N 0 3 356.470 2.072 20 30 FEEDHN CCCN1CCN(c2ccc(C#N)c(N3CCN(CCC)CC3)n2)CC1 ZINC000509727662 561811856 /nfs/dbraw/zinc/81/18/56/561811856.db2.gz FRGBXACZSPSLMB-UHFFFAOYSA-N 0 3 356.518 2.017 20 30 FEEDHN N#Cc1cccc(-c2nnc(CN3CCN(CC4CCOCC4)CC3)o2)c1 ZINC000333058136 554565703 /nfs/dbraw/zinc/56/57/03/554565703.db2.gz IEQKGRUOOSTOID-UHFFFAOYSA-N 0 3 367.453 2.152 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC4(CCCC4)C3)CC2)o1 ZINC000333749278 554638970 /nfs/dbraw/zinc/63/89/70/554638970.db2.gz SPKPPMHHQMCJSI-UHFFFAOYSA-N 0 3 371.485 2.160 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000334005191 554667528 /nfs/dbraw/zinc/66/75/28/554667528.db2.gz NHEJUQJMLKVATD-IAGOWNOFSA-N 0 3 366.550 2.214 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000334080060 554675494 /nfs/dbraw/zinc/67/54/94/554675494.db2.gz QDLCVECXFZJEEW-WWGRRREGSA-N 0 3 365.455 2.045 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N([C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000348586303 554689641 /nfs/dbraw/zinc/68/96/41/554689641.db2.gz KYVVZHSUYTTYNT-JFRXWTBNSA-N 0 3 371.481 2.266 20 30 FEEDHN Cc1cc(-c2nc(-c3ccnc(OCCN(C)C)c3)no2)ncc1C#N ZINC000351233858 554846167 /nfs/dbraw/zinc/84/61/67/554846167.db2.gz PQJOYIRGQANRHP-UHFFFAOYSA-N 0 3 350.382 2.314 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000613157193 554894094 /nfs/dbraw/zinc/89/40/94/554894094.db2.gz XCBNUSWZOFIWHQ-HNNXBMFYSA-N 0 3 367.457 2.443 20 30 FEEDHN CCCN1CCN(C2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1 ZINC000361813718 554936267 /nfs/dbraw/zinc/93/62/67/554936267.db2.gz KPVCBOYCGJXANL-UHFFFAOYSA-N 0 3 353.514 2.438 20 30 FEEDHN CN1CC=C(CNC(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000361988564 554942377 /nfs/dbraw/zinc/94/23/77/554942377.db2.gz WRNANXPDTMGSLB-SFHVURJKSA-N 0 3 353.470 2.088 20 30 FEEDHN C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN1C1CCN(C)CC1 ZINC000362323247 554963301 /nfs/dbraw/zinc/96/33/01/554963301.db2.gz AATZKIUAVBMNIF-INIZCTEOSA-N 0 3 353.514 2.437 20 30 FEEDHN Cc1nc(C(=O)N(C)C2CCN(CCc3ccncc3)CC2)ccc1C#N ZINC000363035405 555015299 /nfs/dbraw/zinc/01/52/99/555015299.db2.gz MFAFRCNDOQXGBK-UHFFFAOYSA-N 0 3 363.465 2.436 20 30 FEEDHN CCN1CCC(N(C(=O)COc2ccc(C#N)cc2OC)C2CC2)CC1 ZINC000363115645 555033524 /nfs/dbraw/zinc/03/35/24/555033524.db2.gz QTPCSEKCUHXFAI-UHFFFAOYSA-N 0 3 357.454 2.421 20 30 FEEDHN C=CCN(CC(=O)NC1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363184768 555048331 /nfs/dbraw/zinc/04/83/31/555048331.db2.gz GRPAHOGXPCVEQH-FQEVSTJZSA-N 0 3 357.498 2.044 20 30 FEEDHN C[C@H]1CN(C(=O)C2CCN(CCOc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000363291320 555072137 /nfs/dbraw/zinc/07/21/37/555072137.db2.gz AYGLHFFVCFFJJS-IRXDYDNUSA-N 0 3 371.481 2.285 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000363663955 555159070 /nfs/dbraw/zinc/15/90/70/555159070.db2.gz VYGHXMJIHWCEGB-AHRSYUTCSA-N 0 3 371.481 2.137 20 30 FEEDHN CCC(=O)N1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000364436590 555314025 /nfs/dbraw/zinc/31/40/25/555314025.db2.gz GOIBLEKGSQLNMR-UHFFFAOYSA-N 0 3 362.861 2.485 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000364615725 555353791 /nfs/dbraw/zinc/35/37/91/555353791.db2.gz GOXLVBCBXZHXTB-URLQWDBASA-N 0 3 357.454 2.487 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](C(=O)OC)c3ccccc32)CC1 ZINC000364649939 555363139 /nfs/dbraw/zinc/36/31/39/555363139.db2.gz TVWWAIZNZCSAFI-ZWKOTPCHSA-N 0 3 357.454 2.338 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N(C)C1CC1 ZINC000512742102 561914011 /nfs/dbraw/zinc/91/40/11/561914011.db2.gz GTRBISQURLCPIU-UHFFFAOYSA-N 0 3 363.531 2.205 20 30 FEEDHN CN1CCC[C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@@H]1c1cccs1 ZINC000512764182 561914573 /nfs/dbraw/zinc/91/45/73/561914573.db2.gz BVPDHRTXNSNIGB-NVXWUHKLSA-N 0 3 374.510 2.009 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCCCCC3)C2)c1 ZINC000365908135 555698516 /nfs/dbraw/zinc/69/85/16/555698516.db2.gz YTMOSKHAJQVSER-SFHVURJKSA-N 0 3 354.454 2.364 20 30 FEEDHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 ZINC000366182057 555774675 /nfs/dbraw/zinc/77/46/75/555774675.db2.gz KJJNYPRBNDXHGK-HNNXBMFYSA-N 0 3 357.435 2.076 20 30 FEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000366452486 555848290 /nfs/dbraw/zinc/84/82/90/555848290.db2.gz HNTMUXUIGLCKIA-WIYYLYMNSA-N 0 3 367.449 2.427 20 30 FEEDHN C[C@@H](CO)N1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000366508456 555863022 /nfs/dbraw/zinc/86/30/22/555863022.db2.gz RPRCVGHHDUSZKH-INIZCTEOSA-N 0 3 367.497 2.377 20 30 FEEDHN C=CCCOCCNC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000366924166 555971654 /nfs/dbraw/zinc/97/16/54/555971654.db2.gz RSEUWTBUVAPQNQ-UHFFFAOYSA-N 0 3 360.502 2.323 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000514598790 561968940 /nfs/dbraw/zinc/96/89/40/561968940.db2.gz ABGXJQMXIQNLRL-LLVKDONJSA-N 0 3 364.755 2.270 20 30 FEEDHN C[C@H]1C[C@H](Nc2cc(S(N)(=O)=O)ccc2C#N)CN1Cc1ccccc1 ZINC000367338685 556022047 /nfs/dbraw/zinc/02/20/47/556022047.db2.gz CVHNIPSQJJSMAR-YOEHRIQHSA-N 0 3 370.478 2.281 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc(F)c(C#N)c1 ZINC000367597176 556093114 /nfs/dbraw/zinc/09/31/14/556093114.db2.gz MKDDNURQSZTROA-OAQYLSRUSA-N 0 3 367.424 2.406 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@@H]21 ZINC000367843984 556152226 /nfs/dbraw/zinc/15/22/26/556152226.db2.gz RLQDHHXZUOPAMX-GJYPPUQNSA-N 0 3 356.445 2.076 20 30 FEEDHN C[C@@H](CO)N1CCCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000367874730 556161843 /nfs/dbraw/zinc/16/18/43/556161843.db2.gz PMHRZDJQMQKCTJ-ZDUSSCGKSA-N 0 3 352.276 2.209 20 30 FEEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000368459650 556315759 /nfs/dbraw/zinc/31/57/59/556315759.db2.gz ZKOSBPRXSMJLNC-LJQANCHMSA-N 0 3 363.465 2.436 20 30 FEEDHN C=CCCO[C@H](C)C(=O)NCC1(N2CCN(C)CC2)CCCCCC1 ZINC000368789611 556413342 /nfs/dbraw/zinc/41/33/42/556413342.db2.gz FSSJTXUDTCZAHB-GOSISDBHSA-N 0 3 351.535 2.424 20 30 FEEDHN Cc1nc(CO[C@H]2CCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)cs1 ZINC000368998696 556472428 /nfs/dbraw/zinc/47/24/28/556472428.db2.gz BJSFVBGORLQORR-MJGOQNOKSA-N 0 3 373.478 2.354 20 30 FEEDHN COc1ccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)cc1OCCCC#N ZINC000369037125 556484193 /nfs/dbraw/zinc/48/41/93/556484193.db2.gz VEFFQLLLJRLZJY-QZTJIDSGSA-N 0 3 359.470 2.331 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](c2noc(C3CC3)n2)c2ccccc2)CC1 ZINC000369296222 556567483 /nfs/dbraw/zinc/56/74/83/556567483.db2.gz ALHRFZPEBVRCBB-SFHVURJKSA-N 0 3 364.449 2.498 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000369406169 556593402 /nfs/dbraw/zinc/59/34/02/556593402.db2.gz IKFBZXTWVIMVHQ-RTBURBONSA-N 0 3 359.433 2.421 20 30 FEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370000061 556753733 /nfs/dbraw/zinc/75/37/33/556753733.db2.gz SQKSHHPZVCPKDC-OAHLLOKOSA-N 0 3 370.432 2.689 20 30 FEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000516955957 562067222 /nfs/dbraw/zinc/06/72/22/562067222.db2.gz UFYYUGMUQPVZPX-MRXNPFEDSA-N 0 3 363.465 2.308 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)CN1C1CC1 ZINC000516991975 562069685 /nfs/dbraw/zinc/06/96/85/562069685.db2.gz DDJOIJHEVVBEOZ-CRAIPNDOSA-N 0 3 356.470 2.341 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)CC1 ZINC000370942579 557023790 /nfs/dbraw/zinc/02/37/90/557023790.db2.gz QRZKFWFTDSDJTI-HNAYVOBHSA-N 0 3 374.554 2.123 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC000517322423 562085105 /nfs/dbraw/zinc/08/51/05/562085105.db2.gz WIGQARSLBMNFOP-UHFFFAOYSA-N 0 3 364.534 2.315 20 30 FEEDHN COC(=O)c1cn([C@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)nn1 ZINC000371846507 557310196 /nfs/dbraw/zinc/31/01/96/557310196.db2.gz OZKDBCSWXYCHLC-HNNXBMFYSA-N 0 3 353.426 2.313 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H](CO)C2CCCCC2)c1 ZINC000518980011 562122455 /nfs/dbraw/zinc/12/24/55/562122455.db2.gz ZIBDUTXWEWGACA-QGZVFWFLSA-N 0 3 350.484 2.110 20 30 FEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(CCC#N)CC1 ZINC000519534590 562133939 /nfs/dbraw/zinc/13/39/39/562133939.db2.gz ADCIFFFYJNPJFK-LBPRGKRZSA-N 0 3 370.393 2.216 20 30 FEEDHN C#CC[C@@]1(C(=O)N(C)C2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000373022842 557611742 /nfs/dbraw/zinc/61/17/42/557611742.db2.gz HBWNDMVUUJDAMA-FQEVSTJZSA-N 0 3 363.502 2.332 20 30 FEEDHN COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1ccc(C#N)cc1C ZINC000373176676 557644261 /nfs/dbraw/zinc/64/42/61/557644261.db2.gz CIPWVAHPGTTYIH-INIZCTEOSA-N 0 3 357.435 2.474 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(Oc3cnccn3)CC2)cc1 ZINC000373298030 557668282 /nfs/dbraw/zinc/66/82/82/557668282.db2.gz DSAVSHUONNCJGY-UHFFFAOYSA-N 0 3 351.410 2.220 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000520372521 562154695 /nfs/dbraw/zinc/15/46/95/562154695.db2.gz VEKUKGDOVFCLDS-KRWDZBQOSA-N 0 3 357.454 2.278 20 30 FEEDHN C=CCN(C[C@H](O)CO[C@@H](C)COC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373910589 557785333 /nfs/dbraw/zinc/78/53/33/557785333.db2.gz ZYUMZEGANJVHJY-TYPHKJRUSA-N 0 3 362.514 2.161 20 30 FEEDHN C[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000374322465 557865504 /nfs/dbraw/zinc/86/55/04/557865504.db2.gz DIEQMWISYKVKQX-VQIMIIECSA-N 0 3 372.538 2.135 20 30 FEEDHN CN(C)Cc1ccc(C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374332390 557867159 /nfs/dbraw/zinc/86/71/59/557867159.db2.gz RRUMUPNMYFRMRQ-HTAPYJJXSA-N 0 3 374.444 2.234 20 30 FEEDHN C[C@H](C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)N1CCCCCC1 ZINC000374385331 557876370 /nfs/dbraw/zinc/87/63/70/557876370.db2.gz KWPYUHQBKZIUNZ-ZOCZFRKYSA-N 0 3 366.465 2.123 20 30 FEEDHN C[C@H](NCc1cn(C)c(=O)n(C)c1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374696639 557917953 /nfs/dbraw/zinc/91/79/53/557917953.db2.gz YINORPHZAHBUJW-HNNXBMFYSA-N 0 3 374.444 2.473 20 30 FEEDHN COc1cccc([C@@H]2[C@@H](N[C@H](C)C(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000374766761 557927966 /nfs/dbraw/zinc/92/79/66/557927966.db2.gz MXQVTQQVNNWISN-UIAACRFSSA-N 0 3 370.497 2.323 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000375595653 558054451 /nfs/dbraw/zinc/05/44/51/558054451.db2.gz IAPINZGJXSFJHH-WBVHZDCISA-N 0 3 353.470 2.131 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000376333226 558159314 /nfs/dbraw/zinc/15/93/14/558159314.db2.gz MZJBKIQINLHFMW-IRXDYDNUSA-N 0 3 357.454 2.152 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000376349632 558161491 /nfs/dbraw/zinc/16/14/91/558161491.db2.gz JCOSBSVMSZBBQC-DOMZBBRYSA-N 0 3 353.875 2.459 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376571593 558192353 /nfs/dbraw/zinc/19/23/53/558192353.db2.gz BWSWIEHUAZTECJ-WMLDXEAASA-N 0 3 365.441 2.229 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000376589874 558194706 /nfs/dbraw/zinc/19/47/06/558194706.db2.gz SNLCYWNDXWNCAP-DVOMOZLQSA-N 0 3 363.439 2.015 20 30 FEEDHN C#CCC(CC#C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000376674626 558206543 /nfs/dbraw/zinc/20/65/43/558206543.db2.gz TXEQNATZKQZFPJ-FQEVSTJZSA-N 0 3 365.477 2.454 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000378366210 558540205 /nfs/dbraw/zinc/54/02/05/558540205.db2.gz BEZFFXGQHOWLDZ-KRWDZBQOSA-N 0 3 357.498 2.492 20 30 FEEDHN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(C)(CN2CCOCC2)CC1 ZINC000378432896 558556210 /nfs/dbraw/zinc/55/62/10/558556210.db2.gz IHSJXJIXFCPDEX-IBGZPJMESA-N 0 3 371.481 2.207 20 30 FEEDHN C[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)n1cnc(C#N)n1 ZINC000409491554 558696849 /nfs/dbraw/zinc/69/68/49/558696849.db2.gz AEWDJPMCAJUERV-AEFFLSMTSA-N 0 3 366.469 2.300 20 30 FEEDHN N#Cc1cc(S(=O)(=O)NCCCN2CCCC2)ccc1C(F)(F)F ZINC000409535499 558700979 /nfs/dbraw/zinc/70/09/79/558700979.db2.gz LMWSZSBUXGTAMN-UHFFFAOYSA-N 0 3 361.389 2.341 20 30 FEEDHN C[C@@H](C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)n1cnc(C#N)n1 ZINC000409694719 558713507 /nfs/dbraw/zinc/71/35/07/558713507.db2.gz NHGPQHMMDKQCJE-GJZGRUSLSA-N 0 3 352.442 2.053 20 30 FEEDHN CNC(=O)C[C@@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411678566 558942170 /nfs/dbraw/zinc/94/21/70/558942170.db2.gz LYSOPGHTKLULHQ-GOSISDBHSA-N 0 3 350.422 2.354 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](NCCC(=O)Nc1cccc(C#N)c1)C(N)=O ZINC000411754623 558956944 /nfs/dbraw/zinc/95/69/44/558956944.db2.gz HNDGWBMKJRHOHR-AUUYWEPGSA-N 0 3 350.422 2.134 20 30 FEEDHN COC(=O)[C@H]1CN(C)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000411911053 558986637 /nfs/dbraw/zinc/98/66/37/558986637.db2.gz SULROPUFBOFEBM-HNNXBMFYSA-N 0 3 354.372 2.094 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](c3n[nH]c(C)n3)C2)c(OC)c1 ZINC000412028060 559004296 /nfs/dbraw/zinc/00/42/96/559004296.db2.gz MPGOSUWKLRUISX-IAGOWNOFSA-N 0 3 372.469 2.079 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](c3nc(C)n[nH]3)C2)c(OC)c1 ZINC000412028060 559004297 /nfs/dbraw/zinc/00/42/97/559004297.db2.gz MPGOSUWKLRUISX-IAGOWNOFSA-N 0 3 372.469 2.079 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](c3nnc(C)[nH]3)C2)c(OC)c1 ZINC000412028060 559004299 /nfs/dbraw/zinc/00/42/99/559004299.db2.gz MPGOSUWKLRUISX-IAGOWNOFSA-N 0 3 372.469 2.079 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H](CO)c2ccc(F)cc2)cc1 ZINC000412721966 559052871 /nfs/dbraw/zinc/05/28/71/559052871.db2.gz XCXCDUSRBVQXLG-QZTJIDSGSA-N 0 3 351.381 2.272 20 30 FEEDHN CN(CCN1CCN(c2ncc(C#N)cc2F)CC1)Cc1ccccc1 ZINC000413124862 559080423 /nfs/dbraw/zinc/08/04/23/559080423.db2.gz PREWZQIHYIBOSJ-UHFFFAOYSA-N 0 3 353.445 2.346 20 30 FEEDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000414485759 559167963 /nfs/dbraw/zinc/16/79/63/559167963.db2.gz IKWNWQVBWNJVEK-CQSZACIVSA-N 0 3 355.360 2.114 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527103189 562276572 /nfs/dbraw/zinc/27/65/72/562276572.db2.gz QXUCXJDFZVSEHN-ADKAHSJRSA-N 0 3 371.485 2.427 20 30 FEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1cccc(CNC)c1 ZINC000415236107 559217128 /nfs/dbraw/zinc/21/71/28/559217128.db2.gz XLLHFFDYJZPCTM-UHFFFAOYSA-N 0 3 371.437 2.035 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000415382365 559229559 /nfs/dbraw/zinc/22/95/59/559229559.db2.gz AHZFRAHWLQXLNJ-INIZCTEOSA-N 0 3 366.421 2.100 20 30 FEEDHN CNCc1ccccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000415902894 559281861 /nfs/dbraw/zinc/28/18/61/559281861.db2.gz POTDJVSUZKHTQP-INIZCTEOSA-N 0 3 351.410 2.358 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415952984 559284525 /nfs/dbraw/zinc/28/45/25/559284525.db2.gz LXGDMRPMNMSEPZ-UHFFFAOYSA-N 0 3 366.469 2.149 20 30 FEEDHN N#Cc1ccccc1N1CCCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418458138 559402447 /nfs/dbraw/zinc/40/24/47/559402447.db2.gz WNEPHSSBJUWDKQ-IBGZPJMESA-N 0 3 363.465 2.480 20 30 FEEDHN N#CCC[C@@H](NC(=O)C(=O)N(CCN)Cc1ccccc1)c1ccccc1 ZINC000419476457 559444323 /nfs/dbraw/zinc/44/43/23/559444323.db2.gz POROMOVLPGVWNJ-LJQANCHMSA-N 0 3 364.449 2.135 20 30 FEEDHN N#CCC[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCCC1)c1ccccc1 ZINC000419477978 559444478 /nfs/dbraw/zinc/44/44/78/559444478.db2.gz RZZXVULWFZKWQL-ROUUACIJSA-N 0 3 356.470 2.171 20 30 FEEDHN CCOC(=O)c1c(NC(=O)NC2CCN(CC)CC2)c(C#N)cn1CC ZINC000421166493 559528200 /nfs/dbraw/zinc/52/82/00/559528200.db2.gz QBCIMVAUCBFWCJ-UHFFFAOYSA-N 0 3 361.446 2.162 20 30 FEEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000421308754 559538217 /nfs/dbraw/zinc/53/82/17/559538217.db2.gz YTDKSUMMJXIPLE-CYBMUJFWSA-N 0 3 362.499 2.408 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000422422012 559587194 /nfs/dbraw/zinc/58/71/94/559587194.db2.gz FCUTYASMZGRBMR-VQIMIIECSA-N 0 3 355.482 2.057 20 30 FEEDHN CN1CCC(N(Cc2ccccc2)C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422489248 559591513 /nfs/dbraw/zinc/59/15/13/559591513.db2.gz OYDHSJUNSZQYEV-UHFFFAOYSA-N 0 3 370.497 2.165 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000424116634 559655278 /nfs/dbraw/zinc/65/52/78/559655278.db2.gz XNRATGOABXOHBM-LSDHHAIUSA-N 0 3 366.259 2.370 20 30 FEEDHN CN(C)C(=O)C[C@H]1CN(C(=O)[C@@H](N)CCCC#N)c2ccc(Cl)cc21 ZINC000424120090 559655381 /nfs/dbraw/zinc/65/53/81/559655381.db2.gz GPNSWSMHANIVPB-WFASDCNBSA-N 0 3 362.861 2.270 20 30 FEEDHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H](N)CCCC#N)C1 ZINC000424151044 559656239 /nfs/dbraw/zinc/65/62/39/559656239.db2.gz GZODLJXHRDPETK-UONOGXRCSA-N 0 3 350.850 2.065 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000424167180 559656517 /nfs/dbraw/zinc/65/65/17/559656517.db2.gz GWSJXHUAYMMENK-LSDHHAIUSA-N 0 3 353.369 2.209 20 30 FEEDHN CCN1CC[C@H](NC(=O)[C@@H](N)CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424178536 559656952 /nfs/dbraw/zinc/65/69/52/559656952.db2.gz WVXWKXIGWKOIHE-ZOBUZTSGSA-N 0 3 368.403 2.377 20 30 FEEDHN C=CCn1cc(CN[C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)nn1 ZINC000424294753 559660841 /nfs/dbraw/zinc/66/08/41/559660841.db2.gz LKJIVUIJHDRGDZ-HNNXBMFYSA-N 0 3 367.453 2.409 20 30 FEEDHN CC(C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)S(C)(=O)=O ZINC000425090677 559686795 /nfs/dbraw/zinc/68/67/95/559686795.db2.gz VINJAKCZDVPZIW-GHMZBOCLSA-N 0 3 362.373 2.379 20 30 FEEDHN CN1CCN(CC2(C)CCN(c3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000425244056 559693079 /nfs/dbraw/zinc/69/30/79/559693079.db2.gz GUFMDTXGZQGZET-UHFFFAOYSA-N 0 3 353.514 2.296 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H](c2ccccc2)N(CC)CC)nn1 ZINC000425400669 559700260 /nfs/dbraw/zinc/70/02/60/559700260.db2.gz CXDXBNYHYRUWMP-GOSISDBHSA-N 0 3 356.474 2.346 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)nn1 ZINC000425470328 559703915 /nfs/dbraw/zinc/70/39/15/559703915.db2.gz FMOKRGADDOINJG-VQIMIIECSA-N 0 3 368.485 2.174 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000425867454 559723293 /nfs/dbraw/zinc/72/32/93/559723293.db2.gz RVQUTRMTDYQPSX-MRXNPFEDSA-N 0 3 370.497 2.458 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCCC[C@@H]1C ZINC000434729783 559907847 /nfs/dbraw/zinc/90/78/47/559907847.db2.gz ZEPKTUYUEXOHGI-LSDHHAIUSA-N 0 3 373.501 2.432 20 30 FEEDHN N#Cc1ccc(CN2CC[C@H](CN3CCOCC3)C2)c(OC(F)F)c1 ZINC000437895848 559971218 /nfs/dbraw/zinc/97/12/18/559971218.db2.gz LZNDSCDVPXEZIB-OAHLLOKOSA-N 0 3 351.397 2.314 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440043663 560003668 /nfs/dbraw/zinc/00/36/68/560003668.db2.gz NKDUNXAQDRHNJV-KFWWJZLASA-N 0 3 367.490 2.483 20 30 FEEDHN C[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1cccc(C#N)c1 ZINC000442096840 560043872 /nfs/dbraw/zinc/04/38/72/560043872.db2.gz IVMIBXCXXLRSIC-GFCCVEGCSA-N 0 3 365.405 2.466 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CCN1C ZINC000442126013 560044425 /nfs/dbraw/zinc/04/44/25/560044425.db2.gz FZJIEERDIUESCK-KGLIPLIRSA-N 0 3 360.483 2.230 20 30 FEEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)C1 ZINC000442774921 560057071 /nfs/dbraw/zinc/05/70/71/560057071.db2.gz BDTWMHNQDXJVPL-BPQIPLTHSA-N 0 3 357.454 2.142 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3ccccc3C#N)C2)CC1 ZINC000449497095 560231734 /nfs/dbraw/zinc/23/17/34/560231734.db2.gz KEAOZNHGBYENCZ-IBGZPJMESA-N 0 3 354.498 2.324 20 30 FEEDHN N#Cc1ccc(OCC(=O)N[C@H]2CCN(C3CC3)C2)cc1Br ZINC000449807176 560240721 /nfs/dbraw/zinc/24/07/21/560240721.db2.gz UYJYWQKZKGFNNF-LBPRGKRZSA-N 0 3 364.243 2.052 20 30 FEEDHN N#Cc1ccc(OCC(=O)N2CCN3CCC[C@@H]3C2)cc1Br ZINC000449831580 560241807 /nfs/dbraw/zinc/24/18/07/560241807.db2.gz XAWWJFGXXQUZRJ-CYBMUJFWSA-N 0 3 364.243 2.006 20 30 FEEDHN C[C@@H]1CCN(C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000449857541 560242905 /nfs/dbraw/zinc/24/29/05/560242905.db2.gz RPJVCNLRJNNSPC-GFCCVEGCSA-N 0 3 366.259 2.252 20 30 FEEDHN CC(C)N(CCN(C)C)C(=O)COc1cccc(Br)c1C#N ZINC000450201979 560253793 /nfs/dbraw/zinc/25/37/93/560253793.db2.gz ZUSOMXJIHYIJMO-UHFFFAOYSA-N 0 3 368.275 2.498 20 30 FEEDHN CN(C)CCOc1ccccc1CNc1nc2c(cc1C#N)COCC2 ZINC000450286649 560257060 /nfs/dbraw/zinc/25/70/60/560257060.db2.gz IMIIOVDXAVTVPJ-UHFFFAOYSA-N 0 3 352.438 2.578 20 30 FEEDHN CN1CC=C(CNC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000450415684 560261565 /nfs/dbraw/zinc/26/15/65/560261565.db2.gz DEVQOMLJOPAKOD-UHFFFAOYSA-N 0 3 364.243 2.078 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450704213 560270857 /nfs/dbraw/zinc/27/08/57/560270857.db2.gz UUHXNQPFROYKLX-AWEZNQCLSA-N 0 3 374.872 2.117 20 30 FEEDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451151044 560290022 /nfs/dbraw/zinc/29/00/22/560290022.db2.gz VEERVKWOTGLOLG-AWEZNQCLSA-N 0 3 355.891 2.416 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000451236051 560294958 /nfs/dbraw/zinc/29/49/58/560294958.db2.gz MKIDWSUKJZIZAP-CXAGYDPISA-N 0 3 353.463 2.332 20 30 FEEDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000451783794 560328238 /nfs/dbraw/zinc/32/82/38/560328238.db2.gz MLPYODAHVTVFPU-FGTMMUONSA-N 0 3 355.438 2.375 20 30 FEEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000451954886 560340524 /nfs/dbraw/zinc/34/05/24/560340524.db2.gz OAFJSYMAMLQFMQ-GOEBONIOSA-N 0 3 359.474 2.014 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2c(n1)CCC2)C(C)C ZINC000453608039 560391045 /nfs/dbraw/zinc/39/10/45/560391045.db2.gz ZURAZIILWZKWTE-GOSISDBHSA-N 0 3 370.497 2.324 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](C2CCCCC2)N(C)C)c1 ZINC000453613393 560391107 /nfs/dbraw/zinc/39/11/07/560391107.db2.gz UOYVENDXZQTQGX-GOSISDBHSA-N 0 3 356.470 2.432 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(CC)c(OC)c2)CC1 ZINC000453634764 560392242 /nfs/dbraw/zinc/39/22/42/560392242.db2.gz BIOGIXHWMDDMJZ-UHFFFAOYSA-N 0 3 359.470 2.353 20 30 FEEDHN N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000453704999 560398342 /nfs/dbraw/zinc/39/83/42/560398342.db2.gz GJSOULSUEPKYPW-GOSISDBHSA-N 0 3 354.454 2.168 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756006 560401943 /nfs/dbraw/zinc/40/19/43/560401943.db2.gz XTFXFGLOLPSFIO-HIFRSBDPSA-N 0 3 374.872 2.430 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453923802 560413538 /nfs/dbraw/zinc/41/35/38/560413538.db2.gz XFLCHTAEXCFYHN-OFQRWUPVSA-N 0 3 372.494 2.039 20 30 FEEDHN CO[C@H]([C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000459211047 560674355 /nfs/dbraw/zinc/67/43/55/560674355.db2.gz WVVLJPAQSQVTRG-DNVCBOLYSA-N 0 3 358.486 2.445 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCC[C@@H]3C#N)cc2)CC1 ZINC000461943027 560789069 /nfs/dbraw/zinc/78/90/69/560789069.db2.gz VNDIKJHULVAGLX-WOJBJXKFSA-N 0 3 369.513 2.316 20 30 FEEDHN C[C@H](C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000462270477 560803806 /nfs/dbraw/zinc/80/38/06/560803806.db2.gz OCTCGEAOJXKMKQ-ABSDTBQOSA-N 0 3 354.498 2.146 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)OC)C1)C(C)C ZINC000465551404 560868019 /nfs/dbraw/zinc/86/80/19/560868019.db2.gz WLXDGNDTESACNJ-IRXDYDNUSA-N 0 3 351.491 2.280 20 30 FEEDHN C[C@H]1CN(CCCNC(=O)CSCc2ccc(C#N)cc2)CCCO1 ZINC000470062123 560973273 /nfs/dbraw/zinc/97/32/73/560973273.db2.gz MPZZYTLPWZQYQO-INIZCTEOSA-N 0 3 361.511 2.409 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000470100785 560974367 /nfs/dbraw/zinc/97/43/67/560974367.db2.gz PLWLKOQAIFOWKQ-INIZCTEOSA-N 0 3 362.470 2.491 20 30 FEEDHN CN(Cc1ccccc1)C(=O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470848171 560991313 /nfs/dbraw/zinc/99/13/13/560991313.db2.gz RAVUODOPYRJQOU-LJQANCHMSA-N 0 3 360.417 2.015 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nnnn1-c1ccccc1 ZINC000470944506 560994863 /nfs/dbraw/zinc/99/48/63/560994863.db2.gz KGBHDBFTIJSYMS-WMLDXEAASA-N 0 3 371.404 2.094 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000471634018 561009228 /nfs/dbraw/zinc/00/92/28/561009228.db2.gz IFRGDJFPHVVTQX-MRXNPFEDSA-N 0 3 363.377 2.377 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCN(CC2CCCCC2)CC1 ZINC000528361054 562324959 /nfs/dbraw/zinc/32/49/59/562324959.db2.gz SIKZRSIDXCMNCW-HXUWFJFHSA-N 0 3 357.498 2.496 20 30 FEEDHN CN1CCN(C[C@@H](O)COc2ccccc2C#N)[C@@H](Cc2ccccc2)C1 ZINC000528535417 562334781 /nfs/dbraw/zinc/33/47/81/562334781.db2.gz UYIOOQDMRWLBDQ-LEWJYISDSA-N 0 3 365.477 2.157 20 30 FEEDHN COCCc1noc(CC2CCN(CCOc3cccc(C#N)c3)CC2)n1 ZINC000528621617 562338615 /nfs/dbraw/zinc/33/86/15/562338615.db2.gz VZVAQYXDFHRYTB-UHFFFAOYSA-N 0 3 370.453 2.464 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C[C@@H](C)O1 ZINC000528799740 562348541 /nfs/dbraw/zinc/34/85/41/562348541.db2.gz QJLVROWJOINECZ-IAGOWNOFSA-N 0 3 370.497 2.234 20 30 FEEDHN COCc1ccc(NC(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)cc1C#N ZINC000529207042 562364753 /nfs/dbraw/zinc/36/47/53/562364753.db2.gz RHHKHCUQIIOVHW-OALUTQOASA-N 0 3 372.469 2.422 20 30 FEEDHN CN1CCC(O)(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000531336025 562442440 /nfs/dbraw/zinc/44/24/40/562442440.db2.gz PCHAPOOYIUQKBT-UHFFFAOYSA-N 0 3 364.449 2.488 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000532108382 562467151 /nfs/dbraw/zinc/46/71/51/562467151.db2.gz OVWRRRGQJCDLPV-MCIONIFRSA-N 0 3 353.463 2.342 20 30 FEEDHN CC(C)n1ncc2cc(CN(C)CCCc3[nH]nc(N)c3C#N)cnc21 ZINC000534098380 562525273 /nfs/dbraw/zinc/52/52/73/562525273.db2.gz MOOULWPZYBNYRK-UHFFFAOYSA-N 0 3 352.446 2.254 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000537127564 562586194 /nfs/dbraw/zinc/58/61/94/562586194.db2.gz VSSYOZIMFUDORX-YZVOILCLSA-N 0 3 354.458 2.361 20 30 FEEDHN CN(C)CCOCCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000540845804 562594248 /nfs/dbraw/zinc/59/42/48/562594248.db2.gz LNKJMQTUVKKQPQ-UHFFFAOYSA-N 0 3 357.410 2.038 20 30 FEEDHN CN(CCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)c1ccncc1 ZINC000540928851 562597314 /nfs/dbraw/zinc/59/73/14/562597314.db2.gz BUGGVQGYNYJVSG-HXUWFJFHSA-N 0 3 363.465 2.317 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000602113374 567930446 /nfs/dbraw/zinc/93/04/46/567930446.db2.gz NOEMKWWNUXOCEY-BZSNNMDCSA-N 0 3 360.479 2.327 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@](C)(CO)Cc2ccccc2F)CC1 ZINC000636741712 567997123 /nfs/dbraw/zinc/99/71/23/567997123.db2.gz IESBZTXKCPQQFZ-HXUWFJFHSA-N 0 3 363.477 2.459 20 30 FEEDHN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCCN(c3ccncc3)CC2)cc1 ZINC000603083946 568058947 /nfs/dbraw/zinc/05/89/47/568058947.db2.gz PWODWHYVQWFDLM-IBGZPJMESA-N 0 3 359.433 2.374 20 30 FEEDHN C[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)N1CCC(C)CC1 ZINC000569060581 568295640 /nfs/dbraw/zinc/29/56/40/568295640.db2.gz OAKKSPMVTRECGR-WMZOPIPTSA-N 0 3 371.485 2.236 20 30 FEEDHN Cc1ccccc1C1(CNCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000569686555 568411842 /nfs/dbraw/zinc/41/18/42/568411842.db2.gz QCOYNCBMSMMHHU-UHFFFAOYSA-N 0 3 355.463 2.357 20 30 FEEDHN COc1cccc(O[C@H](C)CNC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000570795463 568531104 /nfs/dbraw/zinc/53/11/04/568531104.db2.gz ULYVKVZYVRGAAF-WBVHZDCISA-N 0 3 356.422 2.364 20 30 FEEDHN C=CCSCCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000557016827 674432777 /nfs/dbraw/zinc/43/27/77/674432777.db2.gz MKPGZNTUKNLQTJ-UHFFFAOYSA-N 0 3 367.559 2.184 20 30 FEEDHN CN1CCN(c2ccc(C=[NH+][N-]c3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000826038623 608218245 /nfs/dbraw/zinc/21/82/45/608218245.db2.gz RRQCAAQHUNSYIZ-UHFFFAOYSA-N 0 3 362.441 2.065 20 30 FEEDHN C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000559867971 674558958 /nfs/dbraw/zinc/55/89/58/674558958.db2.gz MJRBSSQKOMBYGI-LJQANCHMSA-N 0 3 367.559 2.135 20 30 FEEDHN C#C[C@H](NC(=O)N[C@H](C)CCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811904772 674637825 /nfs/dbraw/zinc/63/78/25/674637825.db2.gz MRHZIIUNXVPWTR-QAPCUYQASA-N 0 3 362.905 2.340 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1OCCC ZINC000815860486 674979070 /nfs/dbraw/zinc/97/90/70/674979070.db2.gz NSKHYQZMFWRXJC-UHFFFAOYSA-N 0 3 365.861 2.139 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000111641774 670859729 /nfs/dbraw/zinc/85/97/29/670859729.db2.gz MBBMLOWWAHUELS-MRXNPFEDSA-N 0 3 355.265 2.488 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000573528618 671133499 /nfs/dbraw/zinc/13/34/99/671133499.db2.gz DEJIWLMTXPVVDH-VBNZEHGJSA-N 0 3 364.877 2.075 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](N)C2CCC2)nc1C ZINC000817912304 675186066 /nfs/dbraw/zinc/18/60/66/675186066.db2.gz ORRYBHCCCMHRNH-SNVBAGLBSA-N 0 3 364.500 2.251 20 30 FEEDHN N#CC(C(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1 ZINC000124448355 671997547 /nfs/dbraw/zinc/99/75/47/671997547.db2.gz PUFLPJHKLKSIJT-OAHLLOKOSA-N 0 3 361.829 2.181 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@@]1(O)CCSC1 ZINC000176749835 672376641 /nfs/dbraw/zinc/37/66/41/672376641.db2.gz ROHHXQKCRMSOBQ-HNNXBMFYSA-N 0 3 356.285 2.419 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2ccc3c(c2)CCO3)c1 ZINC000591739137 672706723 /nfs/dbraw/zinc/70/67/23/672706723.db2.gz KDKWSMINVLFQJL-UHFFFAOYSA-N 0 3 356.447 2.099 20 30 FEEDHN CCCN1CCC(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 ZINC000328882207 673068897 /nfs/dbraw/zinc/06/88/97/673068897.db2.gz LPNBYTQRGXASGF-UHFFFAOYSA-N 0 3 365.499 2.306 20 30 FEEDHN CCCS(=O)(=O)Nc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594430835 673070882 /nfs/dbraw/zinc/07/08/82/673070882.db2.gz BPIFBOWUWMYKPJ-OAHLLOKOSA-N 0 3 352.460 2.188 20 30 FEEDHN CN(C(=O)[C@@H](N)CCCCC#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000594433919 673071459 /nfs/dbraw/zinc/07/14/59/673071459.db2.gz IWXSQVQTKSEZLQ-GOEBONIOSA-N 0 3 362.861 2.315 20 30 FEEDHN C[C@@H]1CN(Cc2csc(NC(=O)[C@@H](N)CCCCC#N)n2)C[C@H](C)O1 ZINC000594441334 673072053 /nfs/dbraw/zinc/07/20/53/673072053.db2.gz QYEZCTWDMKCXSL-GUTXKFCHSA-N 0 3 365.503 2.102 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000329741897 673082632 /nfs/dbraw/zinc/08/26/32/673082632.db2.gz OZAKNYFSEMFSOC-DYVFJYSZSA-N 0 3 365.499 2.114 20 30 FEEDHN COC(=O)NCCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000730919507 673295477 /nfs/dbraw/zinc/29/54/77/673295477.db2.gz DRWLPKFNQPGPAL-JTQLQIEISA-N 0 3 355.753 2.263 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 ZINC000596065990 673355140 /nfs/dbraw/zinc/35/51/40/673355140.db2.gz LNKUDWJZXXHERR-CEXWTWQISA-N 0 3 356.422 2.399 20 30 FEEDHN N#Cc1cnc2c(Br)cccc2c1NCCN1CC[C@H](O)C1 ZINC000599199431 673640106 /nfs/dbraw/zinc/64/01/06/673640106.db2.gz KSZPPBDVJKFLFR-LBPRGKRZSA-N 0 3 361.243 2.347 20 30 FEEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccc([S@@](C)=O)cc1 ZINC000599353162 673662835 /nfs/dbraw/zinc/66/28/35/673662835.db2.gz GAAHKBFLNJRJOQ-IYCMYEMBSA-N 0 3 358.463 2.386 20 30 FEEDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000601421132 673859671 /nfs/dbraw/zinc/85/96/71/673859671.db2.gz CGXNPLJSNMSAHP-ZWNOBZJWSA-N 0 3 361.389 2.290 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000818584402 675226152 /nfs/dbraw/zinc/22/61/52/675226152.db2.gz LVCWHOAPAMLTEY-UHFFFAOYSA-N 0 3 368.231 2.351 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000818609115 675228501 /nfs/dbraw/zinc/22/85/01/675228501.db2.gz LDEDMFGJAZZCLP-CYBMUJFWSA-N 0 3 353.260 2.288 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H](CO)CC2CCCC2)c1 ZINC000566915309 675252828 /nfs/dbraw/zinc/25/28/28/675252828.db2.gz HXPNPJHSLXKGLJ-KRWDZBQOSA-N 0 3 350.484 2.110 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CNC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000567680235 675311870 /nfs/dbraw/zinc/31/18/70/675311870.db2.gz UGDWSPQSWAVDDR-QFBILLFUSA-N 0 3 364.921 2.273 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619760228 676393714 /nfs/dbraw/zinc/39/37/14/676393714.db2.gz DAUONNZBYGBFHB-AWEZNQCLSA-N 0 3 363.893 2.037 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000623579230 676541766 /nfs/dbraw/zinc/54/17/66/676541766.db2.gz RZIZFOUCVYXVKH-AWEZNQCLSA-N 0 3 359.396 2.326 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@H](C)n2cc(Br)cn2)CC1 ZINC000648773279 677320273 /nfs/dbraw/zinc/32/02/73/677320273.db2.gz ANCDQGRKAUQJQU-LBPRGKRZSA-N 0 3 355.280 2.363 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)ccc1OCC#N ZINC000760889520 680704270 /nfs/dbraw/zinc/70/42/70/680704270.db2.gz QZQXKVONJZFAMO-UHFFFAOYSA-N 0 3 358.833 2.484 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)[C@@H](O)c1c(F)cccc1F ZINC000838622838 680706507 /nfs/dbraw/zinc/70/65/07/680706507.db2.gz PYGDECBETDCRGF-DOTOQJQBSA-N 0 3 353.413 2.031 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000838623205 680706697 /nfs/dbraw/zinc/70/66/97/680706697.db2.gz UYODEWNIHQPTCR-MLGOLLRUSA-N 0 3 355.841 2.155 20 30 FEEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCC[C@@H]1C(=O)NC ZINC000765794106 680855456 /nfs/dbraw/zinc/85/54/56/680855456.db2.gz AILGZXIRLXFXMB-LSDHHAIUSA-N 0 3 365.271 2.465 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000992955971 680138388 /nfs/dbraw/zinc/13/83/88/680138388.db2.gz GDZGJJCHGQGLIB-VCBZYWHSSA-N 0 3 369.937 2.412 20 30 FEEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(C)s1 ZINC000752476252 680244725 /nfs/dbraw/zinc/24/47/25/680244725.db2.gz NKMINDWLLZFFIK-LBPRGKRZSA-N 0 3 357.391 2.492 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCCN(CCc1ccns1)C2 ZINC000982023495 680263741 /nfs/dbraw/zinc/26/37/41/680263741.db2.gz JKXIELMACVGHIE-SJORKVTESA-N 0 3 361.511 2.201 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@]1(C)CCC(=O)N1 ZINC000835062057 680292223 /nfs/dbraw/zinc/29/22/23/680292223.db2.gz QQASBZXHBMOWSA-INIZCTEOSA-N 0 3 351.244 2.219 20 30 FEEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000835066574 680292588 /nfs/dbraw/zinc/29/25/88/680292588.db2.gz RXRQAKUHONGMPA-OUAUKWLOSA-N 0 3 354.284 2.304 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000836488678 680476089 /nfs/dbraw/zinc/47/60/89/680476089.db2.gz PIQPQPWPNGVCEV-UHFFFAOYSA-N 0 3 370.266 2.385 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)C[C@H](C)SC)cc1OC ZINC000757407910 680523702 /nfs/dbraw/zinc/52/37/02/680523702.db2.gz DRKZCVUVCUNRIN-JSGCOSHPSA-N 0 3 364.467 2.213 20 30 FEEDHN COC(=O)[C@@]1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000759786643 680667153 /nfs/dbraw/zinc/66/71/53/680667153.db2.gz XIYNCNIBNOZEAQ-SGTLLEGYSA-N 0 3 357.435 2.358 20 30 FEEDHN CN(C)CCN(Cc1ccsc1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000838185570 680678351 /nfs/dbraw/zinc/67/83/51/680678351.db2.gz HVUQZMUMYLHZBD-UHFFFAOYSA-N 0 3 356.447 2.419 20 30 FEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC[C@@H]2C1 ZINC000946792092 681261660 /nfs/dbraw/zinc/26/16/60/681261660.db2.gz DZCISSHICMSEBD-CIRFHOKZSA-N 0 3 362.905 2.447 20 30 FEEDHN COCC#CCN1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000932681102 681285626 /nfs/dbraw/zinc/28/56/26/681285626.db2.gz XAEFQRNUTVEEGE-INIZCTEOSA-N 0 3 352.475 2.032 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCOC[C@H]2OCCOC)c([O-])c1 ZINC000776721628 681429967 /nfs/dbraw/zinc/42/99/67/681429967.db2.gz INRBYJNQJSCKMR-LJBWOGQWSA-N 0 3 350.459 2.478 20 30 FEEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)NC(=O)OC(C)(C)C ZINC000777297448 681480126 /nfs/dbraw/zinc/48/01/26/681480126.db2.gz RWTXPOVEZDRNTM-GXTWGEPZSA-N 0 3 351.447 2.447 20 30 FEEDHN C=C(Cl)CN1CCC[C@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC000961376960 682091401 /nfs/dbraw/zinc/09/14/01/682091401.db2.gz UKSCXYYZPYLVFL-SZMVWBNQSA-N 0 3 370.921 2.493 20 30 FEEDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@H]2C1 ZINC000916663407 685526751 /nfs/dbraw/zinc/52/67/51/685526751.db2.gz FEKLKDSDIODWLD-YPMHNXCESA-N 0 3 373.400 2.149 20 30 FEEDHN C#C[C@H](NC[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCO1 ZINC000784353180 682219446 /nfs/dbraw/zinc/21/94/46/682219446.db2.gz XZGDYBJXRUSMHF-KBMXLJTQSA-N 0 3 372.234 2.098 20 30 FEEDHN CN(C)C(=O)[C@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917074159 685529437 /nfs/dbraw/zinc/52/94/37/685529437.db2.gz DSRSYOFUTXQDKR-TZMCWYRMSA-N 0 3 356.451 2.025 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(C(F)(F)F)nn2C)CC1 ZINC000917098387 685529700 /nfs/dbraw/zinc/52/97/00/685529700.db2.gz WNAKXVVVNSXHGO-UHFFFAOYSA-N 0 3 359.396 2.279 20 30 FEEDHN Cc1ccc(S(=O)(=O)NN=C2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000863065559 683675254 /nfs/dbraw/zinc/67/52/54/683675254.db2.gz YMAAAMRSWPRLPN-UHFFFAOYSA-N 0 3 354.432 2.042 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922727914 683773713 /nfs/dbraw/zinc/77/37/13/683773713.db2.gz HPOBVMNLWATJRV-KMFMINBZSA-N 0 3 366.255 2.355 20 30 FEEDHN C[C@H]1CCC[C@](C#N)(NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000865919269 684045326 /nfs/dbraw/zinc/04/53/26/684045326.db2.gz DDSYGRWEKNJARU-DEYYWGMASA-N 0 3 352.479 2.030 20 30 FEEDHN N#Cc1sc(NC(=O)NC[C@H]2CCN2C2CCOCC2)nc1Cl ZINC000931724482 684337071 /nfs/dbraw/zinc/33/70/71/684337071.db2.gz HXANUVRTUZDOQR-SNVBAGLBSA-N 0 3 355.851 2.043 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000876555681 686218823 /nfs/dbraw/zinc/21/88/23/686218823.db2.gz CQVNKZUUHMQDDA-LLVKDONJSA-N 0 3 374.666 2.316 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000876573701 686222381 /nfs/dbraw/zinc/22/23/81/686222381.db2.gz ZPHCKKBEDGPHRF-OAHLLOKOSA-N 0 3 350.850 2.269 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000876620008 686229889 /nfs/dbraw/zinc/22/98/89/686229889.db2.gz IREQZIQEKNCJTQ-CJNGLKHVSA-N 0 3 351.878 2.484 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000876658196 686238065 /nfs/dbraw/zinc/23/80/65/686238065.db2.gz PIKUANVWGLORME-GFCCVEGCSA-N 0 3 361.671 2.279 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000876781416 686267180 /nfs/dbraw/zinc/26/71/80/686267180.db2.gz LAAWVJDSRCWVSK-BZSNNMDCSA-N 0 3 365.905 2.252 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000876894212 686288966 /nfs/dbraw/zinc/28/89/66/686288966.db2.gz MFWODAJAFPRGLP-QWHCGFSZSA-N 0 3 360.216 2.171 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000876894854 686289775 /nfs/dbraw/zinc/28/97/75/686289775.db2.gz XVOQSJYQHKHPAQ-QGZVFWFLSA-N 0 3 352.862 2.468 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000876977894 686304042 /nfs/dbraw/zinc/30/40/42/686304042.db2.gz BXHNTLFKQPSLHO-IAGOWNOFSA-N 0 3 352.862 2.468 20 30 FEEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000882768527 687479784 /nfs/dbraw/zinc/47/97/84/687479784.db2.gz IIQBKIJYUXCYOU-UHFFFAOYSA-N 0 3 355.410 2.085 20 30 FEEDHN N#Cc1nc(NC(=O)NCCN2CCCCC2)ccc1Br ZINC000883079873 687558723 /nfs/dbraw/zinc/55/87/23/687558723.db2.gz HYBBSTVKHLXEHE-UHFFFAOYSA-N 0 3 352.236 2.323 20 30 FEEDHN C#CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000886577615 688279017 /nfs/dbraw/zinc/27/90/17/688279017.db2.gz PXPPKIAUXBYPIL-UHFFFAOYSA-N 0 3 367.808 2.486 20 30 FEEDHN CN(Cc1cc(C#N)cs1)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000887965637 688527627 /nfs/dbraw/zinc/52/76/27/688527627.db2.gz KPXCWSMBEBCPDQ-IRXDYDNUSA-N 0 3 357.483 2.047 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888417626 688608460 /nfs/dbraw/zinc/60/84/60/688608460.db2.gz JVVGUNLJYYFHAV-UHFFFAOYSA-N 0 3 370.910 2.206 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1c(Br)cnn1C ZINC000892465248 689199776 /nfs/dbraw/zinc/19/97/76/689199776.db2.gz OEHYOVYWSRYVDR-LLVKDONJSA-N 0 3 369.263 2.130 20 30 FEEDHN C[C@@]1(C#N)CN(C(=S)NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000899636088 690394742 /nfs/dbraw/zinc/39/47/42/690394742.db2.gz WZRHRSYKMAQLHW-LJQANCHMSA-N 0 3 358.511 2.140 20 30 FEEDHN CN(CCO)CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000899735129 690415908 /nfs/dbraw/zinc/41/59/08/690415908.db2.gz XRWSPLKGKHGLBG-UHFFFAOYSA-N 0 3 355.463 2.363 20 30 FEEDHN Cc1ccc(C#N)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982310 722106108 /nfs/dbraw/zinc/10/61/08/722106108.db2.gz NKMIKTUPVATYIY-UXHICEINSA-N 0 3 363.465 2.384 20 30 FEEDHN CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076269260 542252923 /nfs/dbraw/zinc/25/29/23/542252923.db2.gz UMJYUWUUNDUMOA-NSHDSACASA-N 0 3 370.375 2.362 20 30 FEEDHN Cc1cccc(N2CCN(CCCCNC(=O)CSCC#N)CC2)c1 ZINC000041867658 540036991 /nfs/dbraw/zinc/03/69/91/540036991.db2.gz MNKUALYOFGQNJA-UHFFFAOYSA-N 0 3 360.527 2.270 20 30 FEEDHN CCN1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000043292445 540096950 /nfs/dbraw/zinc/09/69/50/540096950.db2.gz LMEDZLKOTBYYOB-UHFFFAOYSA-N 0 3 359.449 2.013 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)N3CCCC[C@@H]3C)cc2C1=O ZINC000046593539 540263174 /nfs/dbraw/zinc/26/31/74/540263174.db2.gz UMFFPFXLHYEHAM-GJZGRUSLSA-N 0 3 369.465 2.461 20 30 FEEDHN Cc1cc(C(C#N)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nc(C)n1 ZINC000049405115 540389386 /nfs/dbraw/zinc/38/93/86/540389386.db2.gz FFLXGGVOKZFZDW-CYBMUJFWSA-N 0 3 363.337 2.072 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)c3sccc3C#N)cc2)CC1 ZINC000052147960 540455400 /nfs/dbraw/zinc/45/54/00/540455400.db2.gz HHPJSYFVGQIUDM-UHFFFAOYSA-N 0 3 354.479 2.297 20 30 FEEDHN CCN(C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000053403219 540532024 /nfs/dbraw/zinc/53/20/24/540532024.db2.gz LKJZTZQOSHSQIQ-PKOBYXMFSA-N 0 3 368.433 2.460 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000057677615 540807750 /nfs/dbraw/zinc/80/77/50/540807750.db2.gz DCHSJRJEJMOOMZ-LZWOXQAQSA-N 0 3 356.470 2.288 20 30 FEEDHN Cc1cc(=NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)[nH]n1CCC#N ZINC000538616768 540873679 /nfs/dbraw/zinc/87/36/79/540873679.db2.gz XMFALOHRCOLEKJ-QGZVFWFLSA-N 0 3 354.458 2.400 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN(CC(F)F)CC1)C(C)C ZINC000061864839 541140623 /nfs/dbraw/zinc/14/06/23/541140623.db2.gz DSAAQTQLNWTTEY-MRXNPFEDSA-N 0 3 358.477 2.277 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000067537227 541476392 /nfs/dbraw/zinc/47/63/92/541476392.db2.gz LIZIKXKZIBDDMX-HNNXBMFYSA-N 0 3 350.850 2.426 20 30 FEEDHN CCc1nc(CON=C(N)c2ccccc2CN2CCC(O)CC2)cs1 ZINC000068776676 541626326 /nfs/dbraw/zinc/62/63/26/541626326.db2.gz YXMJSPWISZOQTM-UHFFFAOYSA-N 0 3 374.510 2.499 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000069111951 541658358 /nfs/dbraw/zinc/65/83/58/541658358.db2.gz SFUCMXYWVFDETC-SFHVURJKSA-N 0 3 356.470 2.132 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)c2cccc(C#N)c2)c1 ZINC000075579313 542189963 /nfs/dbraw/zinc/18/99/63/542189963.db2.gz HKYZOFJHFFEDCB-UHFFFAOYSA-N 0 3 367.449 2.445 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000076512706 542287842 /nfs/dbraw/zinc/28/78/42/542287842.db2.gz YSBPSIMFEIOZSL-UHFFFAOYSA-N 0 3 369.387 2.497 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)c3ncccc23)CC1 ZINC000076526459 542288857 /nfs/dbraw/zinc/28/88/57/542288857.db2.gz KXWDIZOZSZPVNP-UHFFFAOYSA-N 0 3 352.438 2.248 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000076513099 542288523 /nfs/dbraw/zinc/28/85/23/542288523.db2.gz AYHKEWYPXAKKRJ-UHFFFAOYSA-N 0 3 355.360 2.411 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000076526478 542289230 /nfs/dbraw/zinc/28/92/30/542289230.db2.gz ZPQYQWSHYJINEM-UHFFFAOYSA-N 0 3 370.497 2.382 20 30 FEEDHN C[C@@H]1CN(Cc2ccc(C(=O)NC3(C#N)CCN(C)CC3)cc2)C[C@@H](C)O1 ZINC000077039789 542343194 /nfs/dbraw/zinc/34/31/94/542343194.db2.gz FFEOGHXSEVEJNS-IAGOWNOFSA-N 0 3 370.497 2.014 20 30 FEEDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCO[C@@H](C)C#N ZINC000801946950 674156417 /nfs/dbraw/zinc/15/64/17/674156417.db2.gz QTECGYNMMVRKIY-LSDHHAIUSA-N 0 3 351.472 2.148 20 30 FEEDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000079541263 542525385 /nfs/dbraw/zinc/52/53/85/542525385.db2.gz YSKJVKURJVNFNH-KRWDZBQOSA-N 0 3 372.538 2.402 20 30 FEEDHN N#CC(C(=O)CCn1ccnn1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000802040664 674159532 /nfs/dbraw/zinc/15/95/32/674159532.db2.gz JCEMSKATOOGPRK-JTQLQIEISA-N 0 3 352.181 2.323 20 30 FEEDHN N#CC(C(=O)c1cnn(CC(=O)NC2CCCCC2)c1)c1ccccn1 ZINC000080255664 542578918 /nfs/dbraw/zinc/57/89/18/542578918.db2.gz NWTVGBZDRPCKRT-INIZCTEOSA-N 0 3 351.410 2.217 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000081171718 542637180 /nfs/dbraw/zinc/63/71/80/542637180.db2.gz PYLLWJHPMPBFQR-SJORKVTESA-N 0 3 357.454 2.275 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cccnc1Cl)C(C)C ZINC000091194441 542797711 /nfs/dbraw/zinc/79/77/11/542797711.db2.gz UKGNJVNHOVDEQM-HNNXBMFYSA-N 0 3 364.877 2.488 20 30 FEEDHN CN1CCC[C@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092239761 542851398 /nfs/dbraw/zinc/85/13/98/542851398.db2.gz QSWRJXSXWFGFTH-WWDZGPRUSA-N 0 3 371.485 2.284 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)cc1 ZINC000092074213 542843812 /nfs/dbraw/zinc/84/38/12/542843812.db2.gz SDKVWSBEROCBIW-OAHLLOKOSA-N 0 3 367.453 2.105 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000092799792 542888071 /nfs/dbraw/zinc/88/80/71/542888071.db2.gz VBZPRHBKFDKCKB-CVEARBPZSA-N 0 3 364.490 2.222 20 30 FEEDHN CN(CCC#N)c1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1 ZINC000093669391 542938158 /nfs/dbraw/zinc/93/81/58/542938158.db2.gz OWRXXCJFNUMNQG-UHFFFAOYSA-N 0 3 355.486 2.416 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)NCC1(c2ccccc2C)CCOCC1 ZINC000098123357 543022875 /nfs/dbraw/zinc/02/28/75/543022875.db2.gz CKMAJPKFBFYTPW-INIZCTEOSA-N 0 3 359.470 2.033 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000101607847 543036923 /nfs/dbraw/zinc/03/69/23/543036923.db2.gz DJSVPPGDOYXLBI-INIZCTEOSA-N 0 3 373.476 2.261 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000103156836 543095773 /nfs/dbraw/zinc/09/57/73/543095773.db2.gz VCNWYQQPBYRCEA-CYBMUJFWSA-N 0 3 353.463 2.486 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000103466755 543108711 /nfs/dbraw/zinc/10/87/11/543108711.db2.gz GGKXIGJXVBWTST-MRXNPFEDSA-N 0 3 364.453 2.304 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1 ZINC000106325445 543222996 /nfs/dbraw/zinc/22/29/96/543222996.db2.gz IAVHNCMKEXUESH-UHFFFAOYSA-N 0 3 373.436 2.272 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)CC1 ZINC000106361115 543225705 /nfs/dbraw/zinc/22/57/05/543225705.db2.gz KWDYEWBONUSIQX-INIZCTEOSA-N 0 3 367.559 2.481 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000106349047 543224892 /nfs/dbraw/zinc/22/48/92/543224892.db2.gz QBTUVVZUBQJMRT-UHFFFAOYSA-N 0 3 370.497 2.382 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](N4CCCC4)C3)cc2C1=O ZINC000107600813 543273455 /nfs/dbraw/zinc/27/34/55/543273455.db2.gz MCGOFWKMOVMOGA-MRXNPFEDSA-N 0 3 367.449 2.169 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000108587245 543296069 /nfs/dbraw/zinc/29/60/69/543296069.db2.gz IHLOBCRDSNRAOS-KRWDZBQOSA-N 0 3 356.470 2.453 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@H](NC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000109165878 543316366 /nfs/dbraw/zinc/31/63/66/543316366.db2.gz ICHSXTNOWADYFJ-SFHVURJKSA-N 0 3 367.497 2.453 20 30 FEEDHN CC(C)N(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C#N)cc1 ZINC000109405472 543323950 /nfs/dbraw/zinc/32/39/50/543323950.db2.gz BOYNRAWLCFDYAE-UHFFFAOYSA-N 0 3 373.478 2.495 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112391324 543444818 /nfs/dbraw/zinc/44/48/18/543444818.db2.gz MROPREXZLCLQHE-QGZVFWFLSA-N 0 3 374.460 2.271 20 30 FEEDHN CCOc1ccc(C2(CN[C@@H](C)C(=O)N(C)CCC#N)CCOCC2)cc1 ZINC000112535175 543450647 /nfs/dbraw/zinc/45/06/47/543450647.db2.gz LTLONLWVYXQSSI-KRWDZBQOSA-N 0 3 373.497 2.484 20 30 FEEDHN COc1ccc(C2(CN[C@H](C)C(=O)N(C)CCC#N)CCOCC2)cc1 ZINC000112535325 543450776 /nfs/dbraw/zinc/45/07/76/543450776.db2.gz WMYRXEGAVOGJTO-MRXNPFEDSA-N 0 3 359.470 2.094 20 30 FEEDHN C[C@@H](NC1(CNC(=O)C2(C#N)CCOCC2)CCOCC1)c1ccccc1 ZINC000113236553 543479463 /nfs/dbraw/zinc/47/94/63/543479463.db2.gz LDRPOUZMHIYSMC-QGZVFWFLSA-N 0 3 371.481 2.323 20 30 FEEDHN CCC(CC)CN(CC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000114725663 543532594 /nfs/dbraw/zinc/53/25/94/543532594.db2.gz KHAJOZRAFMCCJL-UHFFFAOYSA-N 0 3 361.490 2.261 20 30 FEEDHN N#Cc1ccc([C@@H](NC2CCN(Cc3ccc(F)cc3)CC2)C(N)=O)cc1 ZINC000115597586 543577485 /nfs/dbraw/zinc/57/74/85/543577485.db2.gz ZJCBPPUVIKOVNI-HXUWFJFHSA-N 0 3 366.440 2.478 20 30 FEEDHN N#Cc1ccc([C@H](NC2CCN(Cc3ccc(F)cc3)CC2)C(N)=O)cc1 ZINC000115597585 543577722 /nfs/dbraw/zinc/57/77/22/543577722.db2.gz ZJCBPPUVIKOVNI-FQEVSTJZSA-N 0 3 366.440 2.478 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000117061199 543622375 /nfs/dbraw/zinc/62/23/75/543622375.db2.gz MPQGPSIRBAJCRE-UHFFFAOYSA-N 0 3 365.861 2.420 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000118101899 543645693 /nfs/dbraw/zinc/64/56/93/543645693.db2.gz XWOVQZGXXXFAAB-XJKSGUPXSA-N 0 3 374.510 2.333 20 30 FEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000119298727 543665797 /nfs/dbraw/zinc/66/57/97/543665797.db2.gz KTRXHHYOBXTAGY-HOCLYGCPSA-N 0 3 374.510 2.429 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CC[C@@H]21 ZINC000126881597 543961707 /nfs/dbraw/zinc/96/17/07/543961707.db2.gz UFUMQZOVZUFPNR-WFASDCNBSA-N 0 3 353.875 2.316 20 30 FEEDHN CCN1CCC(n2nccc2NC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000135815752 544361670 /nfs/dbraw/zinc/36/16/70/544361670.db2.gz YILVGQGOAABMTQ-UHFFFAOYSA-N 0 3 366.421 2.259 20 30 FEEDHN C#CCN1CCC(C(=O)NC2CCN(c3ccccc3OC)CC2)CC1 ZINC000138584046 544397161 /nfs/dbraw/zinc/39/71/61/544397161.db2.gz VWYUJHIFFWLZJQ-UHFFFAOYSA-N 0 3 355.482 2.125 20 30 FEEDHN C[C@@H](C(=O)NCCC1=CCCCC1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153265455 544754073 /nfs/dbraw/zinc/75/40/73/544754073.db2.gz UZFYDKVZTBWIGI-AWEZNQCLSA-N 0 3 358.490 2.123 20 30 FEEDHN CN1CCN([C@@H]2CCCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000187495606 328029879 /nfs/dbraw/zinc/02/98/79/328029879.db2.gz FUKYZWNXWOHCTP-HXUWFJFHSA-N 0 3 366.509 2.218 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NCCN3CCCC[C@@H]3C)CC2)o1 ZINC000189107722 328129177 /nfs/dbraw/zinc/12/91/77/328129177.db2.gz SDNCPOCDUIGPDV-AWEZNQCLSA-N 0 3 359.474 2.062 20 30 FEEDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000189492955 328151363 /nfs/dbraw/zinc/15/13/63/328151363.db2.gz WOKJUIIQLMDBKG-VHRBIJSZSA-N 0 3 360.483 2.069 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000191253795 328256757 /nfs/dbraw/zinc/25/67/57/328256757.db2.gz FWNMKYLKVLTHIF-ACJLOTCBSA-N 0 3 368.412 2.443 20 30 FEEDHN N#Cc1ccc(Br)c(CN[C@H](CC(N)=O)C2CCOCC2)c1 ZINC000191825141 328283953 /nfs/dbraw/zinc/28/39/53/328283953.db2.gz PFUFDVRBBMELRM-OAHLLOKOSA-N 0 3 366.259 2.081 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1C#N ZINC000120713000 326281171 /nfs/dbraw/zinc/28/11/71/326281171.db2.gz PCPNCMPOSHLQDH-WMLDXEAASA-N 0 3 372.469 2.225 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000171088037 327116869 /nfs/dbraw/zinc/11/68/69/327116869.db2.gz NJABSIFFNCOKEK-UHFFFAOYSA-N 0 3 359.449 2.189 20 30 FEEDHN CNC(=O)c1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000173028675 327231399 /nfs/dbraw/zinc/23/13/99/327231399.db2.gz RRBSSTKAURYGHF-UHFFFAOYSA-N 0 3 364.449 2.122 20 30 FEEDHN N#Cc1cc(Br)cc(S(=O)(=O)NCCCN2CCCC2)c1 ZINC000175962364 327424503 /nfs/dbraw/zinc/42/45/03/327424503.db2.gz RONHRCNOSJQGMP-UHFFFAOYSA-N 0 3 372.288 2.085 20 30 FEEDHN C[C@@H](NC(=O)N1CCN(CC2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000265572717 329139899 /nfs/dbraw/zinc/13/98/99/329139899.db2.gz XEYIIIDMSNHCCK-MRXNPFEDSA-N 0 3 356.470 2.373 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000267551948 329337707 /nfs/dbraw/zinc/33/77/07/329337707.db2.gz DFZSNYQDYHPGMN-BBWFWOEESA-N 0 3 359.470 2.331 20 30 FEEDHN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000273222634 329846758 /nfs/dbraw/zinc/84/67/58/329846758.db2.gz DHXJFCJIWHRXRI-QGZVFWFLSA-N 0 3 372.469 2.067 20 30 FEEDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000554972490 674344065 /nfs/dbraw/zinc/34/40/65/674344065.db2.gz MWGFRGMBHSIWGM-ZFWWWQNUSA-N 0 3 355.360 2.302 20 30 FEEDHN COCCN(Cc1ccc2c(c1)OCO2)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156332457 545618003 /nfs/dbraw/zinc/61/80/03/545618003.db2.gz VCFQXKZYYNSAJM-GOSISDBHSA-N 0 3 354.406 2.469 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)CC1 ZINC000156742293 545655358 /nfs/dbraw/zinc/65/53/58/545655358.db2.gz NIZZZGQHOKHINC-IBGZPJMESA-N 0 3 356.466 2.124 20 30 FEEDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000157429842 545740055 /nfs/dbraw/zinc/74/00/55/545740055.db2.gz BFNKDIRNBVIKPP-CYBMUJFWSA-N 0 3 361.389 2.292 20 30 FEEDHN CN(C)[C@@H](CNC(=O)CN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000157496568 545747835 /nfs/dbraw/zinc/74/78/35/545747835.db2.gz XYNYJIFEVFLRCU-FQEVSTJZSA-N 0 3 350.466 2.409 20 30 FEEDHN N#Cc1ccc(NCC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc1 ZINC000159590629 545965134 /nfs/dbraw/zinc/96/51/34/545965134.db2.gz NROSHVQIEQSFEB-LJQANCHMSA-N 0 3 356.470 2.074 20 30 FEEDHN C#CCOCCC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160709083 546064739 /nfs/dbraw/zinc/06/47/39/546064739.db2.gz PQUBACNIPIPFNO-GOSISDBHSA-N 0 3 352.438 2.309 20 30 FEEDHN CN(C)Cc1ccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000161007343 546092432 /nfs/dbraw/zinc/09/24/32/546092432.db2.gz WEGRNXMJOYYCAK-UHFFFAOYSA-N 0 3 363.465 2.367 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)CC1 ZINC000171565946 546215202 /nfs/dbraw/zinc/21/52/02/546215202.db2.gz KOVCZBSPKSZZGA-UHFFFAOYSA-N 0 3 357.483 2.477 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000171711807 546220355 /nfs/dbraw/zinc/22/03/55/546220355.db2.gz RCFXGIIHLRRJPR-LJQANCHMSA-N 0 3 370.497 2.300 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)CC1 ZINC000171725913 546221965 /nfs/dbraw/zinc/22/19/65/546221965.db2.gz ILRDXEANOLYTIM-GOSISDBHSA-N 0 3 361.461 2.347 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000171737630 546223603 /nfs/dbraw/zinc/22/36/03/546223603.db2.gz DPVQPRYTSJHMQD-UHFFFAOYSA-N 0 3 362.518 2.071 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)NCCCCC#N)CC1 ZINC000171739835 546223728 /nfs/dbraw/zinc/22/37/28/546223728.db2.gz OWXYGEFDKJHGNE-UHFFFAOYSA-N 0 3 357.502 2.317 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000172347159 546248462 /nfs/dbraw/zinc/24/84/62/546248462.db2.gz WEFUKBGNGFTHIL-UHFFFAOYSA-N 0 3 358.486 2.192 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)N(C)Cc1ccccc1 ZINC000175982064 546384555 /nfs/dbraw/zinc/38/45/55/546384555.db2.gz LWNXTQRGRJWWSN-AWEZNQCLSA-N 0 3 368.412 2.273 20 30 FEEDHN CCCN(CC)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000176212708 546420243 /nfs/dbraw/zinc/42/02/43/546420243.db2.gz DKNITRKTOXRDRM-UHFFFAOYSA-N 0 3 370.375 2.364 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@H]1[C@H]1CCCO1)C(C)C ZINC000480521715 561211100 /nfs/dbraw/zinc/21/11/00/561211100.db2.gz UQDIILNHRDYMRN-CEXWTWQISA-N 0 3 365.518 2.274 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000480967886 561221572 /nfs/dbraw/zinc/22/15/72/561221572.db2.gz FFLZCIJYPZQKMJ-LBPRGKRZSA-N 0 3 364.402 2.232 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000481026856 561223293 /nfs/dbraw/zinc/22/32/93/561223293.db2.gz UNLTXPQSZGHGSB-QGZVFWFLSA-N 0 3 365.474 2.477 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)C3(C#N)CCOCC3)CC2)C[C@H](C)O1 ZINC000178240021 546762785 /nfs/dbraw/zinc/76/27/85/546762785.db2.gz MXIFZDRNKCAOBH-CALCHBBNSA-N 0 3 363.502 2.045 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)c(-c3ncco3)c2)CC1 ZINC000178319111 546775011 /nfs/dbraw/zinc/77/50/11/546775011.db2.gz TUVMNLUFFSBTGN-UHFFFAOYSA-N 0 3 368.437 2.355 20 30 FEEDHN COC(=O)C[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000179130793 546903432 /nfs/dbraw/zinc/90/34/32/546903432.db2.gz XWNGFERODXMJQK-LBPRGKRZSA-N 0 3 361.467 2.465 20 30 FEEDHN C[C@@H](CN(C)C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000482285202 561251909 /nfs/dbraw/zinc/25/19/09/561251909.db2.gz JGUDOGOPTSMQPD-AWEZNQCLSA-N 0 3 357.458 2.341 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000180972600 547222729 /nfs/dbraw/zinc/22/27/29/547222729.db2.gz KVQWWZBLNQAPHR-HNNXBMFYSA-N 0 3 361.490 2.339 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181744649 547373171 /nfs/dbraw/zinc/37/31/71/547373171.db2.gz XUTSDXJYKHOJLS-XHSDSOJGSA-N 0 3 372.469 2.153 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@]2(C)CCCOC2)cc1 ZINC000483561506 561279744 /nfs/dbraw/zinc/27/97/44/561279744.db2.gz MBIWJNNRHRHAGJ-BLLLJJGKSA-N 0 3 351.428 2.063 20 30 FEEDHN C[C@@H](C1CC1)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182620580 547523408 /nfs/dbraw/zinc/52/34/08/547523408.db2.gz DEEPZBNWZHCSCZ-KXBFYZLASA-N 0 3 358.461 2.265 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)CC1 ZINC000184119894 547772121 /nfs/dbraw/zinc/77/21/21/547772121.db2.gz UERSHOQGAZPQOJ-MRXNPFEDSA-N 0 3 351.491 2.400 20 30 FEEDHN C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCC[C@@H](C)C1 ZINC000184621560 547855490 /nfs/dbraw/zinc/85/54/90/547855490.db2.gz LPXCNJZAQVVRME-CABCVRRESA-N 0 3 367.457 2.381 20 30 FEEDHN C=CCOc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1OC ZINC000185308036 547967802 /nfs/dbraw/zinc/96/78/02/547967802.db2.gz SYNXYJJHCOHBPY-INIZCTEOSA-N 0 3 361.486 2.016 20 30 FEEDHN C=CCn1c2nnc(SC[C@@H]3CCN(C)C3)n2c2ccccc2c1=O ZINC000187649571 548261656 /nfs/dbraw/zinc/26/16/56/548261656.db2.gz IMNIJKXQVXYHLM-CYBMUJFWSA-N 0 3 355.467 2.274 20 30 FEEDHN C#CCOc1ccccc1NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000188036303 548269897 /nfs/dbraw/zinc/26/98/97/548269897.db2.gz VVQUMLJOFBKQOS-KRWDZBQOSA-N 0 3 358.486 2.094 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)cc1F ZINC000489551523 561414079 /nfs/dbraw/zinc/41/40/79/561414079.db2.gz PFSUGEIELBFILF-HNNXBMFYSA-N 0 3 351.447 2.240 20 30 FEEDHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489664454 561416507 /nfs/dbraw/zinc/41/65/07/561416507.db2.gz GLRUFOLZAJKMBT-OAHLLOKOSA-N 0 3 353.463 2.486 20 30 FEEDHN CN(C)CCOc1ccc(CCNC(=O)COc2ccc(C#N)cc2)cc1 ZINC000264169305 549987369 /nfs/dbraw/zinc/98/73/69/549987369.db2.gz CGBACLKSUBTNPV-UHFFFAOYSA-N 0 3 367.449 2.236 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 ZINC000264405094 549995138 /nfs/dbraw/zinc/99/51/38/549995138.db2.gz PWNRAUZFSUEXPT-UHFFFAOYSA-N 0 3 358.486 2.479 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000264408122 549995222 /nfs/dbraw/zinc/99/52/22/549995222.db2.gz QKDSVLMXUFVEPA-QGZVFWFLSA-N 0 3 363.477 2.316 20 30 FEEDHN C#CCSCCNCc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000265742439 550013720 /nfs/dbraw/zinc/01/37/20/550013720.db2.gz FHZMZTUUEDMCIF-HNNXBMFYSA-N 0 3 364.511 2.397 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)N1CCC[C@@H](C)C1 ZINC000269108969 550156377 /nfs/dbraw/zinc/15/63/77/550156377.db2.gz PWEIKSVJHHOPDE-OLZOCXBDSA-N 0 3 362.861 2.387 20 30 FEEDHN COc1ccc([C@H](C#N)N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)cc1 ZINC000492817530 561452982 /nfs/dbraw/zinc/45/29/82/561452982.db2.gz KVHSRHYMFPQSKW-PMACEKPBSA-N 0 3 368.481 2.031 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000270776427 550305555 /nfs/dbraw/zinc/30/55/55/550305555.db2.gz SSBULSCDWCBKDX-UHFFFAOYSA-N 0 3 369.425 2.224 20 30 FEEDHN C[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(OCC#N)cc1 ZINC000271850782 550405733 /nfs/dbraw/zinc/40/57/33/550405733.db2.gz RKKSLZFPPNIMQH-GDBMZVCRSA-N 0 3 370.405 2.408 20 30 FEEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271846167 550405749 /nfs/dbraw/zinc/40/57/49/550405749.db2.gz QQLJIQRPDVGYHM-KBXCAEBGSA-N 0 3 365.433 2.168 20 30 FEEDHN C#CCCN1CCN(C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000272004601 550415708 /nfs/dbraw/zinc/41/57/08/550415708.db2.gz INOWDCXHOLROAN-QFBILLFUSA-N 0 3 350.890 2.419 20 30 FEEDHN CC(C)(C)OC(=O)c1cccc(CNCCNC(=O)C2N=CC=CC2=O)c1 ZINC000272097651 550422739 /nfs/dbraw/zinc/42/27/39/550422739.db2.gz GBKHMBKSWPNFLH-ZCXUNETKSA-N 0 3 371.437 2.258 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000273241877 550491241 /nfs/dbraw/zinc/49/12/41/550491241.db2.gz WVWOHXFBYCNBCQ-DOTOQJQBSA-N 0 3 358.442 2.141 20 30 FEEDHN N#Cc1cccc(CN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)c1 ZINC000274277045 550531064 /nfs/dbraw/zinc/53/10/64/550531064.db2.gz AKKXLHMGXGOWEK-OAQYLSRUSA-N 0 3 360.417 2.255 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c[nH]nc1-c1cnn(C)c1)C(C)C ZINC000275498684 550572612 /nfs/dbraw/zinc/57/26/12/550572612.db2.gz LEVWWAQJNXLDIV-QGZVFWFLSA-N 0 3 356.474 2.239 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000275895672 550575154 /nfs/dbraw/zinc/57/51/54/550575154.db2.gz QFNXLVFHIMNLJX-HUUCEWRRSA-N 0 3 372.469 2.105 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)C[C@H]1N(C)C ZINC000276120095 550577083 /nfs/dbraw/zinc/57/70/83/550577083.db2.gz WPHJZUFECQMICK-UKRRQHHQSA-N 0 3 363.487 2.273 20 30 FEEDHN CN1C(=O)C[C@H](NC[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000276961567 550615913 /nfs/dbraw/zinc/61/59/13/550615913.db2.gz QCSSLTLMUQMYSK-NLWGTHIKSA-N 0 3 371.387 2.431 20 30 FEEDHN C#CCC(CC#C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000277480991 550675717 /nfs/dbraw/zinc/67/57/17/550675717.db2.gz QLDPIUNZTOGVJQ-UHFFFAOYSA-N 0 3 351.494 2.103 20 30 FEEDHN C=C[C@@H]1CCCCN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000494863645 561478161 /nfs/dbraw/zinc/47/81/61/561478161.db2.gz DQQHWCHRGVCUTA-GOSISDBHSA-N 0 3 357.502 2.344 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](COC)[C@@H]1CCCO1 ZINC000278742072 550816965 /nfs/dbraw/zinc/81/69/65/550816965.db2.gz ADJMGIWZCGZTOV-XIRDDKMYSA-N 0 3 352.500 2.435 20 30 FEEDHN C[C@H](CN1CCOCC1)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000279721893 550921465 /nfs/dbraw/zinc/92/14/65/550921465.db2.gz LXJANZATKOPEOV-MRXNPFEDSA-N 0 3 353.470 2.111 20 30 FEEDHN COc1ccc2c(c1)OC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000279923885 550943486 /nfs/dbraw/zinc/94/34/86/550943486.db2.gz FNBBMJSFRLJOFB-ZWKOTPCHSA-N 0 3 361.401 2.369 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000280033038 550954265 /nfs/dbraw/zinc/95/42/65/550954265.db2.gz LDGCAEZGUOLUOH-ZHALLVOQSA-N 0 3 355.463 2.411 20 30 FEEDHN CCOC(=O)c1csc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000280144262 550965007 /nfs/dbraw/zinc/96/50/07/550965007.db2.gz ALEWTDCYBXMUOR-CQSZACIVSA-N 0 3 368.418 2.190 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C ZINC000280776182 551030947 /nfs/dbraw/zinc/03/09/47/551030947.db2.gz DRHVSFWNERLJAT-MPGHIAIKSA-N 0 3 352.438 2.146 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000281123588 551065971 /nfs/dbraw/zinc/06/59/71/551065971.db2.gz GBUPFULKHCUIPJ-HKUYNNGSSA-N 0 3 351.381 2.099 20 30 FEEDHN CNC(=O)[C@]1(C)CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000281263549 551079135 /nfs/dbraw/zinc/07/91/35/551079135.db2.gz VOIJGMMUVZZECU-OXJNMPFZSA-N 0 3 356.470 2.088 20 30 FEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CC(F)F ZINC000281473673 551101965 /nfs/dbraw/zinc/10/19/65/551101965.db2.gz GUHZWHSGCDUVIU-IAGOWNOFSA-N 0 3 360.408 2.428 20 30 FEEDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(C#N)s1 ZINC000496863294 561496072 /nfs/dbraw/zinc/49/60/72/561496072.db2.gz GSVMDMWMFOJGQE-CQSZACIVSA-N 0 3 363.483 2.499 20 30 FEEDHN COc1cc(CNCc2cccnc2N2CCN(C)CC2)ccc1C#N ZINC000281747702 551138372 /nfs/dbraw/zinc/13/83/72/551138372.db2.gz QSHOPFBXLDQHHZ-UHFFFAOYSA-N 0 3 351.454 2.003 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000281893514 551154263 /nfs/dbraw/zinc/15/42/63/551154263.db2.gz UPEJTKMDCLSHAJ-MJGOQNOKSA-N 0 3 361.486 2.407 20 30 FEEDHN C=CCn1c(-c2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000282348567 551215113 /nfs/dbraw/zinc/21/51/13/551215113.db2.gz SFESIAKWXNMRSG-UHFFFAOYSA-N 0 3 368.485 2.075 20 30 FEEDHN C[C@@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000282556958 551245994 /nfs/dbraw/zinc/24/59/94/551245994.db2.gz FFYZMHPSCXTRFC-LSDHHAIUSA-N 0 3 352.504 2.042 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)NCC2CCC(C#N)CC2)ccn1 ZINC000282642521 551255200 /nfs/dbraw/zinc/25/52/00/551255200.db2.gz ILXDORPZPBZYCH-UHFFFAOYSA-N 0 3 359.474 2.151 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)c3cc(C#N)ccn3)cc2)CC1 ZINC000282935518 551287345 /nfs/dbraw/zinc/28/73/45/551287345.db2.gz GFQPLCRQJYQHPU-UHFFFAOYSA-N 0 3 363.465 2.021 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc3ncccc3c2)CC1 ZINC000284039264 551472884 /nfs/dbraw/zinc/47/28/84/551472884.db2.gz IVAZLJLLXUSKBQ-UHFFFAOYSA-N 0 3 366.465 2.008 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(OC)c2)CC1 ZINC000284134651 551489766 /nfs/dbraw/zinc/48/97/66/551489766.db2.gz OAXMTSAAORCZCC-HNNXBMFYSA-N 0 3 359.470 2.029 20 30 FEEDHN Cn1c(CC#N)nnc1SC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000284218748 551506661 /nfs/dbraw/zinc/50/66/61/551506661.db2.gz MINFZWQWOVAOSM-INIZCTEOSA-N 0 3 357.483 2.264 20 30 FEEDHN CN1CCC(Oc2ccc(CNS(=O)(=O)CCCCC#N)cc2)CC1 ZINC000284575388 551581107 /nfs/dbraw/zinc/58/11/07/551581107.db2.gz GTMPAPGXEIHZEW-UHFFFAOYSA-N 0 3 365.499 2.273 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000498532178 561527177 /nfs/dbraw/zinc/52/71/77/561527177.db2.gz BHRBDHXAIGTIBF-SFHVURJKSA-N 0 3 359.514 2.422 20 30 FEEDHN Cc1onc(CC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1C#N ZINC000498514416 561526517 /nfs/dbraw/zinc/52/65/17/561526517.db2.gz OEVLSOVLTJAYSH-CQSZACIVSA-N 0 3 358.467 2.487 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000285109057 551705739 /nfs/dbraw/zinc/70/57/39/551705739.db2.gz YISVZMULZULNCQ-UHFFFAOYSA-N 0 3 369.509 2.121 20 30 FEEDHN C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)C(=O)NCc1ccco1 ZINC000286237456 551864371 /nfs/dbraw/zinc/86/43/71/551864371.db2.gz TVGNSARZOCURPA-OAHLLOKOSA-N 0 3 352.438 2.415 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(Cc2ccccc2F)C(C)C)CC1 ZINC000286407737 551884225 /nfs/dbraw/zinc/88/42/25/551884225.db2.gz FDGFBJDEPLFNEA-UHFFFAOYSA-N 0 3 361.461 2.329 20 30 FEEDHN CNC(=O)CC[C@@H]1CCCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000286471914 551889858 /nfs/dbraw/zinc/88/98/58/551889858.db2.gz NTBXMSMHOUAZQA-HKUYNNGSSA-N 0 3 368.481 2.434 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000499043102 561541783 /nfs/dbraw/zinc/54/17/83/561541783.db2.gz KECBGXBYRIAVOR-GOSISDBHSA-N 0 3 370.497 2.095 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)NCCCCN1CCN(CC)CC1 ZINC000286703629 551916548 /nfs/dbraw/zinc/91/65/48/551916548.db2.gz RFHIJUOMZNGCBJ-OAQYLSRUSA-N 0 3 370.541 2.338 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(CCC)Cc2ccc(C#N)cc2)CC1 ZINC000286724785 551919025 /nfs/dbraw/zinc/91/90/25/551919025.db2.gz RDMWJTRUBKEQOY-UHFFFAOYSA-N 0 3 368.481 2.063 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000286737959 551920744 /nfs/dbraw/zinc/92/07/44/551920744.db2.gz RZYNISRMEWAOLX-NVXWUHKLSA-N 0 3 373.472 2.297 20 30 FEEDHN C=CCCCNC(=O)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000287063977 551958731 /nfs/dbraw/zinc/95/87/31/551958731.db2.gz MGMFKOMQHVBROS-UHFFFAOYSA-N 0 3 373.497 2.106 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000288125066 552095509 /nfs/dbraw/zinc/09/55/09/552095509.db2.gz KGVBLRMTURHSRM-HLLBOEOZSA-N 0 3 370.453 2.001 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289432419 552320871 /nfs/dbraw/zinc/32/08/71/552320871.db2.gz SBWRCBNCMDQVQJ-XVSDVWIESA-N 0 3 364.440 2.308 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000500824973 561583515 /nfs/dbraw/zinc/58/35/15/561583515.db2.gz DSRSQWPYMIJRLL-GOSISDBHSA-N 0 3 370.501 2.049 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1C ZINC000290665514 552515770 /nfs/dbraw/zinc/51/57/70/552515770.db2.gz FZUMKVMWBREIIO-HNNXBMFYSA-N 0 3 366.469 2.043 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000291247220 552605898 /nfs/dbraw/zinc/60/58/98/552605898.db2.gz JRDVGEPCOIGATQ-UGSOOPFHSA-N 0 3 368.412 2.443 20 30 FEEDHN C=CCCCS(=O)(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000292711995 552751813 /nfs/dbraw/zinc/75/18/13/552751813.db2.gz UARQKHQMSMUKLO-SFHVURJKSA-N 0 3 352.500 2.029 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H]1N1CCCC1 ZINC000293514566 552831549 /nfs/dbraw/zinc/83/15/49/552831549.db2.gz OCHZZEAEBKOWCR-QZTJIDSGSA-N 0 3 358.511 2.276 20 30 FEEDHN CC(C)(C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1)C(N)=O ZINC000295642940 553038320 /nfs/dbraw/zinc/03/83/20/553038320.db2.gz LMWUSPGCAUDHBM-ZWKOTPCHSA-N 0 3 366.465 2.381 20 30 FEEDHN C=CCOc1ccc(CC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000295975616 553083834 /nfs/dbraw/zinc/08/38/34/553083834.db2.gz WACICKBVHWQJQB-UHFFFAOYSA-N 0 3 358.482 2.365 20 30 FEEDHN CC1(C)[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]2CCO[C@@H]21 ZINC000296089844 553103251 /nfs/dbraw/zinc/10/32/51/553103251.db2.gz HJJHQLAAEJETPM-NXHRZFHOSA-N 0 3 365.437 2.086 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000296371069 553148834 /nfs/dbraw/zinc/14/88/34/553148834.db2.gz RIGHPRHIQSFWRR-UHFFFAOYSA-N 0 3 370.497 2.067 20 30 FEEDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000502850949 561627646 /nfs/dbraw/zinc/62/76/46/561627646.db2.gz BVDVNESQKZGLJX-IRXDYDNUSA-N 0 3 356.470 2.054 20 30 FEEDHN N#Cc1cnc(NCc2ccc(CN3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000297198238 553262539 /nfs/dbraw/zinc/26/25/39/553262539.db2.gz RETYOASUZSPNBM-UHFFFAOYSA-N 0 3 367.409 2.430 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000297516012 553302927 /nfs/dbraw/zinc/30/29/27/553302927.db2.gz PNZLTYUHFBOYQK-LJQANCHMSA-N 0 3 369.465 2.480 20 30 FEEDHN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000297980981 553366154 /nfs/dbraw/zinc/36/61/54/553366154.db2.gz IJGNIDCUWCOEKA-IBGZPJMESA-N 0 3 357.498 2.392 20 30 FEEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1SC ZINC000298130432 553387941 /nfs/dbraw/zinc/38/79/41/553387941.db2.gz PYDMVCNPCBDTKE-XDNAFOTISA-N 0 3 359.495 2.158 20 30 FEEDHN C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN(C)C ZINC000298250777 553403990 /nfs/dbraw/zinc/40/39/90/553403990.db2.gz DOPOLABGGSVIGJ-APWZRJJASA-N 0 3 357.498 2.220 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN(C(=O)C(C)C)CC1)C(C)C ZINC000503439255 561641382 /nfs/dbraw/zinc/64/13/82/561641382.db2.gz QWVYXGIKSJDRBS-GOSISDBHSA-N 0 3 364.534 2.195 20 30 FEEDHN C[C@H](C[S@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000299064633 553510574 /nfs/dbraw/zinc/51/05/74/553510574.db2.gz SQEMJKQRWVUDMP-BGJPBQGDSA-N 0 3 353.513 2.136 20 30 FEEDHN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000301576472 553662917 /nfs/dbraw/zinc/66/29/17/553662917.db2.gz YUMQZQGZMKFDHU-KBPBESRZSA-N 0 3 354.376 2.398 20 30 FEEDHN CC[C@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)N(CC)CC ZINC000505668016 561676913 /nfs/dbraw/zinc/67/69/13/561676913.db2.gz COTRCIOJHUTRKO-ZWKOTPCHSA-N 0 3 356.470 2.290 20 30 FEEDHN CN(C)CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000505666942 561676976 /nfs/dbraw/zinc/67/69/76/561676976.db2.gz XQDYVAYZZUJRNI-UHFFFAOYSA-N 0 3 356.470 2.266 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000328665651 553804591 /nfs/dbraw/zinc/80/45/91/553804591.db2.gz ZJTXXSAFTUGUAX-CVEARBPZSA-N 0 3 373.453 2.252 20 30 FEEDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1cn2c(n1)CCCC2 ZINC000328701297 553809170 /nfs/dbraw/zinc/80/91/70/553809170.db2.gz JCAJLXRCUNPEKV-KRWDZBQOSA-N 0 3 354.454 2.291 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000328890975 553839773 /nfs/dbraw/zinc/83/97/73/553839773.db2.gz SDMKYDBXDSYAKY-RKVPGOIHSA-N 0 3 361.490 2.161 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000505930585 561685549 /nfs/dbraw/zinc/68/55/49/561685549.db2.gz PSSBKGAMPCNLKM-ZRGWGRIASA-N 0 3 351.491 2.485 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329091384 553879122 /nfs/dbraw/zinc/87/91/22/553879122.db2.gz ADSUOCQJUBFXBA-CVEARBPZSA-N 0 3 350.507 2.156 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000329100593 553880705 /nfs/dbraw/zinc/88/07/05/553880705.db2.gz ZNPRJXUSVFFDFC-INIZCTEOSA-N 0 3 374.460 2.405 20 30 FEEDHN CN1CC[C@H](NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@@H]1c1ccccc1 ZINC000329107717 553881654 /nfs/dbraw/zinc/88/16/54/553881654.db2.gz DZJCNSKPVDYGCS-DOADOZAASA-N 0 3 359.470 2.274 20 30 FEEDHN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCCN1CCC[C@H](C)C1 ZINC000329144296 553888327 /nfs/dbraw/zinc/88/83/27/553888327.db2.gz MVQBJYPSMXBKAZ-YOEHRIQHSA-N 0 3 363.506 2.056 20 30 FEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000329151105 553890212 /nfs/dbraw/zinc/89/02/12/553890212.db2.gz ZXPYIXXLIQTHCZ-NCOADZHNSA-N 0 3 363.506 2.357 20 30 FEEDHN O=C(NC[C@H]1CCCN1C1CCCCC1)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329237043 553908362 /nfs/dbraw/zinc/90/83/62/553908362.db2.gz OSUQQXZNPLTOQV-NVXWUHKLSA-N 0 3 371.547 2.112 20 30 FEEDHN O=C(NCC1CCN(C(=O)c2ccccc2)CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000329412771 553941991 /nfs/dbraw/zinc/94/19/91/553941991.db2.gz FEVZOHLWUZZCLX-GOSISDBHSA-N 0 3 370.497 2.279 20 30 FEEDHN Cc1nc([C@H]2CCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000329427964 553944386 /nfs/dbraw/zinc/94/43/86/553944386.db2.gz JKFHRPQIKCKKPM-WMZOPIPTSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1n[nH]c([C@H]2CCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000329427964 553944387 /nfs/dbraw/zinc/94/43/87/553944387.db2.gz JKFHRPQIKCKKPM-WMZOPIPTSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1nnc([C@H]2CCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427964 553944388 /nfs/dbraw/zinc/94/43/88/553944388.db2.gz JKFHRPQIKCKKPM-WMZOPIPTSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000329485041 553955777 /nfs/dbraw/zinc/95/57/77/553955777.db2.gz QPPHUBLJOBHSCM-QGZVFWFLSA-N 0 3 358.486 2.130 20 30 FEEDHN CCN1CC[C@H]2OCCN(C(=O)C[C@@H](C)NC(=O)C3CCCC3)[C@H]2C1 ZINC000329530813 553962689 /nfs/dbraw/zinc/96/26/89/553962689.db2.gz JBBZNITWZIJALI-HYVNUMGLSA-N 0 3 351.491 2.233 20 30 FEEDHN Cc1noc([C@H](NC(=O)N(C)C[C@H]2CCCN(C)C2)C2CCOCC2)n1 ZINC000329535515 553963257 /nfs/dbraw/zinc/96/32/57/553963257.db2.gz ZKSSLGOSTXNDQZ-GOEBONIOSA-N 0 3 365.478 2.033 20 30 FEEDHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000329667382 553985114 /nfs/dbraw/zinc/98/51/14/553985114.db2.gz RMNFQDHUSOTWJK-ZACQAIPSSA-N 0 3 359.470 2.342 20 30 FEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000329795540 554007267 /nfs/dbraw/zinc/00/72/67/554007267.db2.gz DAYUANUEIVIUJN-HUUCEWRRSA-N 0 3 372.469 2.428 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)N1CC[C@H](n2cccn2)C1 ZINC000329800056 554008209 /nfs/dbraw/zinc/00/82/09/554008209.db2.gz ILTFFPJCXFPTJZ-INIZCTEOSA-N 0 3 363.531 2.406 20 30 FEEDHN [O-]C(=[NH+]CC1(N2CCSCC2)CCCC1)N1CC[C@H](n2cccn2)C1 ZINC000329800056 554008210 /nfs/dbraw/zinc/00/82/10/554008210.db2.gz ILTFFPJCXFPTJZ-INIZCTEOSA-N 0 3 363.531 2.406 20 30 FEEDHN CCC1(C)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000507165929 561719904 /nfs/dbraw/zinc/71/99/04/561719904.db2.gz SVQONGSYWMWKJG-UHFFFAOYSA-N 0 3 359.474 2.015 20 30 FEEDHN CN1CCC[C@H](CNC(=O)NC[C@@H]2COCCO2)[C@@H]1c1cccs1 ZINC000329813343 554011091 /nfs/dbraw/zinc/01/10/91/554011091.db2.gz NKVVLGLYDNHFRZ-IIAWOOMASA-N 0 3 353.488 2.050 20 30 FEEDHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000329860087 554020235 /nfs/dbraw/zinc/02/02/35/554020235.db2.gz PEWJIPCFZHSUTJ-GJZGRUSLSA-N 0 3 365.499 2.382 20 30 FEEDHN CN1CCO[C@H](C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)C1 ZINC000329858653 554020301 /nfs/dbraw/zinc/02/03/01/554020301.db2.gz OEIISPCUCMAKIG-RDJZCZTQSA-N 0 3 360.458 2.352 20 30 FEEDHN Cc1nc(CCNC(=O)C(C)S(=O)(=O)C2CCOCC2)sc1C ZINC000330070776 554059151 /nfs/dbraw/zinc/05/91/51/554059151.db2.gz IJCSXLSACOXWTA-LBPRGKRZSA-N 0 3 360.501 2.241 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cn([C@H]2CCOC2)nn1 ZINC000330078586 554060685 /nfs/dbraw/zinc/06/06/85/554060685.db2.gz FPKGPSDJTHMLLM-NJAFHUGGSA-N 0 3 369.469 2.455 20 30 FEEDHN NC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000330172143 554077850 /nfs/dbraw/zinc/07/78/50/554077850.db2.gz GCHQFPCEQSGZIC-KRWDZBQOSA-N 0 3 360.458 2.057 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC2CCN(C3CCCCC3)CC2)cc1C#N ZINC000330193248 554081556 /nfs/dbraw/zinc/08/15/56/554081556.db2.gz ODUSEDMZIUBTJP-UHFFFAOYSA-N 0 3 362.499 2.337 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000330238510 554091067 /nfs/dbraw/zinc/09/10/67/554091067.db2.gz HXLWXRVPWFUIHZ-FSZRXZPDSA-N 0 3 361.490 2.016 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330242855 554091715 /nfs/dbraw/zinc/09/17/15/554091715.db2.gz CHVQANNSEXRJLY-SVFBPWRDSA-N 0 3 373.497 2.037 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)COC2 ZINC000330271050 554097253 /nfs/dbraw/zinc/09/72/53/554097253.db2.gz VHSBYISGIXOTND-HNNXBMFYSA-N 0 3 359.470 2.316 20 30 FEEDHN N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCCN1CC1CCCCC1 ZINC000330298757 554101863 /nfs/dbraw/zinc/10/18/63/554101863.db2.gz HPCKZWSLYDHKIR-INIZCTEOSA-N 0 3 362.499 2.276 20 30 FEEDHN C[C@@H](CN(C)C)NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000330682130 554156954 /nfs/dbraw/zinc/15/69/54/554156954.db2.gz PVHUXQYIBHQPDP-AWEZNQCLSA-N 0 3 353.488 2.116 20 30 FEEDHN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NCCN(C)C ZINC000330746406 554166210 /nfs/dbraw/zinc/16/62/10/554166210.db2.gz FTKBYTXQTHNCSK-UHFFFAOYSA-N 0 3 350.488 2.072 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCN2CCCC[C@H]2C)C1 ZINC000330911904 554186998 /nfs/dbraw/zinc/18/69/98/554186998.db2.gz QQCQLOUUODNBOO-SJORKVTESA-N 0 3 352.523 2.259 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000330913371 554187500 /nfs/dbraw/zinc/18/75/00/554187500.db2.gz RRRSAARUGJIXMX-KFWWJZLASA-N 0 3 367.490 2.483 20 30 FEEDHN CN1CCN(CC2(C)CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000332116452 554383791 /nfs/dbraw/zinc/38/37/91/554383791.db2.gz KEDUKKSAJKIDPS-IBGZPJMESA-N 0 3 369.513 2.484 20 30 FEEDHN CC(C#N)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000510421989 561834025 /nfs/dbraw/zinc/83/40/25/561834025.db2.gz ZTRQBYDCPHCPGS-IUODEOHRSA-N 0 3 355.360 2.355 20 30 FEEDHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(F)(C#N)CC1 ZINC000510936628 561851648 /nfs/dbraw/zinc/85/16/48/561851648.db2.gz PFUMOKLNCFJWML-WMZOPIPTSA-N 0 3 358.461 2.093 20 30 FEEDHN CN1CCN(C[C@@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)CC1 ZINC000361831914 554937212 /nfs/dbraw/zinc/93/72/12/554937212.db2.gz XRFMQRITKWKQRQ-AWEZNQCLSA-N 0 3 367.419 2.436 20 30 FEEDHN CN1CC=C(CNC(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000361988563 554942036 /nfs/dbraw/zinc/94/20/36/554942036.db2.gz WRNANXPDTMGSLB-GOSISDBHSA-N 0 3 353.470 2.088 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000362942699 555001366 /nfs/dbraw/zinc/00/13/66/555001366.db2.gz QZARNHWANKFXGA-GOSISDBHSA-N 0 3 354.454 2.364 20 30 FEEDHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1 ZINC000511743367 561879455 /nfs/dbraw/zinc/87/94/55/561879455.db2.gz MZIPWABGBKRMJW-DOTOQJQBSA-N 0 3 366.469 2.128 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)CN3CCCCC3)C2)n1 ZINC000363426172 555102644 /nfs/dbraw/zinc/10/26/44/555102644.db2.gz LHBCOWBWPUVEMF-PKOBYXMFSA-N 0 3 369.513 2.469 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000363663956 555159034 /nfs/dbraw/zinc/15/90/34/555159034.db2.gz VYGHXMJIHWCEGB-LSTHTHJFSA-N 0 3 371.481 2.137 20 30 FEEDHN CN1CCN(C[C@@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000363741116 555176613 /nfs/dbraw/zinc/17/66/13/555176613.db2.gz UEIVHCCELPCOFK-IBGZPJMESA-N 0 3 366.509 2.076 20 30 FEEDHN C=CCN(C(=O)COCc1nc(C)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364579262 555343705 /nfs/dbraw/zinc/34/37/05/555343705.db2.gz VKHCBVDDWWUVSA-SFHVURJKSA-N 0 3 370.453 2.184 20 30 FEEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000364922864 555439196 /nfs/dbraw/zinc/43/91/96/555439196.db2.gz WOCOFWZMYZIVDB-RBUKOAKNSA-N 0 3 366.550 2.444 20 30 FEEDHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCCn1cnc(C#N)n1 ZINC000512895089 561919263 /nfs/dbraw/zinc/91/92/63/561919263.db2.gz NVBVGANIVZVZBQ-UHFFFAOYSA-N 0 3 369.860 2.455 20 30 FEEDHN C=CCOc1ccc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1OC ZINC000365337607 555547272 /nfs/dbraw/zinc/54/72/72/555547272.db2.gz CVLXNRZJXGHJSZ-SFHVURJKSA-N 0 3 373.497 2.112 20 30 FEEDHN CN1CCC(NC(=O)NCC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000365716233 555648836 /nfs/dbraw/zinc/64/88/36/555648836.db2.gz HBXGCLGVTNJFGA-UHFFFAOYSA-N 0 3 355.486 2.168 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000365959308 555711477 /nfs/dbraw/zinc/71/14/77/555711477.db2.gz IQTDRAAYHNYREN-MRRJBJDNSA-N 0 3 363.408 2.456 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1cc(S(N)(=O)=O)ccc1C#N ZINC000367326534 556019153 /nfs/dbraw/zinc/01/91/53/556019153.db2.gz KPSBTXHNCWAILF-IFXJQAMLSA-N 0 3 370.478 2.138 20 30 FEEDHN C[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000367436886 556048381 /nfs/dbraw/zinc/04/83/81/556048381.db2.gz TVVGIJAWFBRXHI-GOEBONIOSA-N 0 3 372.904 2.322 20 30 FEEDHN Cn1ccc(N2CC[C@@H](NCc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000367879227 556162609 /nfs/dbraw/zinc/16/26/09/556162609.db2.gz OKNNHJYPJKFDBL-GOSISDBHSA-N 0 3 361.453 2.061 20 30 FEEDHN Cc1c(CNC[C@@H](O)COc2ccc(CC#N)cc2)cccc1[N+](=O)[O-] ZINC000515348017 562006420 /nfs/dbraw/zinc/00/64/20/562006420.db2.gz SOYPLGHZTNFFOQ-QGZVFWFLSA-N 0 3 355.394 2.499 20 30 FEEDHN N#Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)sc2c1CCC2 ZINC000368967202 556461914 /nfs/dbraw/zinc/46/19/14/556461914.db2.gz VSWNDAPZHKTZLW-JKDFXYPNSA-N 0 3 372.494 2.023 20 30 FEEDHN C[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CCN1C1CCN(C)CC1 ZINC000369108020 556507309 /nfs/dbraw/zinc/50/73/09/556507309.db2.gz YSRSNTRWDDPZMC-WWDZGPRUSA-N 0 3 361.534 2.126 20 30 FEEDHN CCCN1CCN(C2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)CC1 ZINC000369128933 556511894 /nfs/dbraw/zinc/51/18/94/556511894.db2.gz ZKRFYFWIBSXJQI-UHFFFAOYSA-N 0 3 354.498 2.499 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(c3ccccn3)CC2)cc1 ZINC000369141021 556515138 /nfs/dbraw/zinc/51/51/38/556515138.db2.gz XXALBWSIOJUVHZ-SFHVURJKSA-N 0 3 359.433 2.421 20 30 FEEDHN C=CCN1CC[C@@H](N2CCC(Cn3cc(Br)cn3)CC2)C1=O ZINC000369198806 556533276 /nfs/dbraw/zinc/53/32/76/556533276.db2.gz QHMJSJHPROKDHX-OAHLLOKOSA-N 0 3 367.291 2.145 20 30 FEEDHN Cc1nc(C)n(C[C@@H]2CCCCN2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000369238861 556545565 /nfs/dbraw/zinc/54/55/65/556545565.db2.gz SPMLBZZCADYQRQ-OALUTQOASA-N 0 3 369.469 2.061 20 30 FEEDHN Cn1cc([C@H](O)C[C@H]2CCCN2CCC(=O)Nc2sccc2C#N)cn1 ZINC000369284440 556564738 /nfs/dbraw/zinc/56/47/38/556564738.db2.gz RDKDUYAZOHDDSV-HZPDHXFCSA-N 0 3 373.482 2.270 20 30 FEEDHN CN1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000369310800 556571259 /nfs/dbraw/zinc/57/12/59/556571259.db2.gz SPCZMKULPMGOBH-DUIUGDAFSA-N 0 3 352.482 2.057 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCN(c3ccccc3OC)C2)CC1 ZINC000369421801 556596872 /nfs/dbraw/zinc/59/68/72/556596872.db2.gz OUBZFZHLCKXSEW-GOSISDBHSA-N 0 3 355.482 2.125 20 30 FEEDHN C#CCCN1CCC(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1 ZINC000369594383 556641755 /nfs/dbraw/zinc/64/17/55/556641755.db2.gz YFKUSQWFTKKEBN-UHFFFAOYSA-N 0 3 358.467 2.335 20 30 FEEDHN C=C(C)Cn1c(SCC(=O)N[C@@H](C)CN(C)C)nnc1-c1ccco1 ZINC000516328589 562039887 /nfs/dbraw/zinc/03/98/87/562039887.db2.gz XZKUHEHCRNSUMW-ZDUSSCGKSA-N 0 3 363.487 2.273 20 30 FEEDHN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000369721991 556677555 /nfs/dbraw/zinc/67/75/55/556677555.db2.gz IADOOJDUVWQIMB-GBESFXJTSA-N 0 3 367.449 2.019 20 30 FEEDHN C=CCN(C(=O)c1cc(C(N)=O)cn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000370327116 556840216 /nfs/dbraw/zinc/84/02/16/556840216.db2.gz SURHSKPMYIXORE-SFHVURJKSA-N 0 3 366.465 2.027 20 30 FEEDHN CN1CCN(C2(CNc3nccc(C#N)c3[N+](=O)[O-])CCCCCC2)CC1 ZINC000370531469 556901305 /nfs/dbraw/zinc/90/13/05/556901305.db2.gz PNQYJFSKMDPHAJ-UHFFFAOYSA-N 0 3 372.473 2.614 20 30 FEEDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000517388175 562088011 /nfs/dbraw/zinc/08/80/11/562088011.db2.gz YUKGUVPLXHAPIH-OAHLLOKOSA-N 0 3 360.483 2.185 20 30 FEEDHN N#Cc1ccc2ncc(CN3CCC(CCN4CCOCC4)CC3)n2c1 ZINC000371415341 557178478 /nfs/dbraw/zinc/17/84/78/557178478.db2.gz CPNXZZHZBAPGFZ-UHFFFAOYSA-N 0 3 353.470 2.140 20 30 FEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000517651104 562094666 /nfs/dbraw/zinc/09/46/66/562094666.db2.gz VZQMALYITWYZQA-OAHLLOKOSA-N 0 3 365.437 2.111 20 30 FEEDHN Cn1cc([C@@H]2C[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)cn1 ZINC000517757843 562097340 /nfs/dbraw/zinc/09/73/40/562097340.db2.gz WDCOIWYCLBMKHT-QRQLOZEOSA-N 0 3 363.421 2.011 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCc3cc(F)c(F)cc32)CC1 ZINC000518517095 562113410 /nfs/dbraw/zinc/11/34/10/562113410.db2.gz FODKYWYOGOAYRN-UHFFFAOYSA-N 0 3 363.408 2.011 20 30 FEEDHN Cc1nc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)ccc1C#N ZINC000372217519 557412053 /nfs/dbraw/zinc/41/20/53/557412053.db2.gz PQIRIKAFLSPNQE-UHFFFAOYSA-N 0 3 351.410 2.382 20 30 FEEDHN COC(=O)c1ccccc1CCN1CCCN(c2ncccc2C#N)CC1 ZINC000372469166 557478961 /nfs/dbraw/zinc/47/89/61/557478961.db2.gz SINDJWPPHKLCCI-UHFFFAOYSA-N 0 3 364.449 2.495 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000372653765 557530358 /nfs/dbraw/zinc/53/03/58/557530358.db2.gz FTTFAKWSMRSVNF-MNEFBYGVSA-N 0 3 356.470 2.247 20 30 FEEDHN C[C@](CO)(CNCCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000519645620 562138487 /nfs/dbraw/zinc/13/84/87/562138487.db2.gz BSGCZTGQOIUXRU-HXUWFJFHSA-N 0 3 372.490 2.163 20 30 FEEDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000373014780 557610254 /nfs/dbraw/zinc/61/02/54/557610254.db2.gz OWYFSRGERNLAGD-INIZCTEOSA-N 0 3 364.852 2.089 20 30 FEEDHN CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)(C)C ZINC000519825693 562145540 /nfs/dbraw/zinc/14/55/40/562145540.db2.gz LKVJRHSSWKHGIX-UHFFFAOYSA-N 0 3 371.441 2.185 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC000373401556 557687297 /nfs/dbraw/zinc/68/72/97/557687297.db2.gz ZIZJXZDGGIZQMT-GOSISDBHSA-N 0 3 364.449 2.148 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)CC1 ZINC000373948180 557793849 /nfs/dbraw/zinc/79/38/49/557793849.db2.gz AGUAEWNYBGDIAE-QFBILLFUSA-N 0 3 370.497 2.126 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](N2CCCCCC2)C1 ZINC000374455605 557886287 /nfs/dbraw/zinc/88/62/87/557886287.db2.gz BLTDQXMKRPCBQC-IAGOWNOFSA-N 0 3 356.536 2.053 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000374972224 557958071 /nfs/dbraw/zinc/95/80/71/557958071.db2.gz UWGRTOUWNAAXBX-UHFFFAOYSA-N 0 3 354.498 2.356 20 30 FEEDHN CC(C)N1CCCC[C@@H]1C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000375019329 557965213 /nfs/dbraw/zinc/96/52/13/557965213.db2.gz VNQSDWFUSVFBNR-GOSISDBHSA-N 0 3 355.486 2.619 20 30 FEEDHN N#CCCN(C(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC1)c1cccc(Cl)c1 ZINC000375338664 558011769 /nfs/dbraw/zinc/01/17/69/558011769.db2.gz SHGIYXUYXLSRPY-APWZRJJASA-N 0 3 374.872 2.233 20 30 FEEDHN CN1CCC[C@@H](N2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)C1 ZINC000375694215 558068731 /nfs/dbraw/zinc/06/87/31/558068731.db2.gz WIDOGODAMUYIBV-WOJBJXKFSA-N 0 3 354.498 2.312 20 30 FEEDHN CCCN1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000376156142 558134467 /nfs/dbraw/zinc/13/44/67/558134467.db2.gz HBDIZIVTTYPGNX-KRWDZBQOSA-N 0 3 358.461 2.468 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CN1C1CC1 ZINC000376220073 558143483 /nfs/dbraw/zinc/14/34/83/558143483.db2.gz HTHWBDYVSYYHTN-FVQBIDKESA-N 0 3 356.445 2.265 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000376332410 558159174 /nfs/dbraw/zinc/15/91/74/558159174.db2.gz KUJYTSIXVGTIEF-PKOBYXMFSA-N 0 3 370.497 2.188 20 30 FEEDHN C=CCCCCCCNC(=O)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000377044103 558255267 /nfs/dbraw/zinc/25/52/67/558255267.db2.gz OAGDSSNEBKWDRD-KRWDZBQOSA-N 0 3 371.547 2.074 20 30 FEEDHN CCN1CCc2c(cccc2NC(=O)C(=O)NCC(C)(C)CCC#N)C1 ZINC000377259278 558300165 /nfs/dbraw/zinc/30/01/65/558300165.db2.gz KSECGXAXYNEQSZ-UHFFFAOYSA-N 0 3 356.470 2.449 20 30 FEEDHN C#CCOc1ccc(CN2CCC(C(=O)Nc3nncs3)CC2)cc1 ZINC000377693781 558399358 /nfs/dbraw/zinc/39/93/58/558399358.db2.gz HUFGVGQXCMMODR-UHFFFAOYSA-N 0 3 356.451 2.401 20 30 FEEDHN CN(C)C[C@H]1CN(S(=O)(=O)CCC(C)(C)C#N)c2ccccc2O1 ZINC000377889977 558442691 /nfs/dbraw/zinc/44/26/91/558442691.db2.gz RLHFVBOFDXVBLN-AWEZNQCLSA-N 0 3 351.472 2.085 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000522890148 562205646 /nfs/dbraw/zinc/20/56/46/562205646.db2.gz OKECFUJCTIVSFT-RDJZCZTQSA-N 0 3 359.470 2.304 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000523581072 562215566 /nfs/dbraw/zinc/21/55/66/562215566.db2.gz ICYHDZVCWXTJCZ-FQEVSTJZSA-N 0 3 369.513 2.260 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000410137717 558741315 /nfs/dbraw/zinc/74/13/15/558741315.db2.gz NYWWQJJXGIXGIJ-HZPDHXFCSA-N 0 3 366.531 2.432 20 30 FEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000411645007 558935245 /nfs/dbraw/zinc/93/52/45/558935245.db2.gz SAHIKWXEKWIULH-AWEZNQCLSA-N 0 3 350.438 2.302 20 30 FEEDHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000411694193 558945683 /nfs/dbraw/zinc/94/56/83/558945683.db2.gz NAGMUOWFPJAWNS-UHFFFAOYSA-N 0 3 374.441 2.288 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCNC1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000411828876 558971401 /nfs/dbraw/zinc/97/14/01/558971401.db2.gz WIHQLPMDFRJNAK-UHFFFAOYSA-N 0 3 366.465 2.157 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCN1C ZINC000525852782 562257351 /nfs/dbraw/zinc/25/73/51/562257351.db2.gz CJQMHLVUVFWMDQ-VNCIIQTRSA-N 0 3 371.485 2.425 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000525861758 562257695 /nfs/dbraw/zinc/25/76/95/562257695.db2.gz NIYZLCBUSOAKME-LXPRWKDFSA-N 0 3 371.485 2.379 20 30 FEEDHN C=C[C@@H](CC(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000412466642 559037544 /nfs/dbraw/zinc/03/75/44/559037544.db2.gz SFNZHQWEQXJFES-IBGZPJMESA-N 0 3 371.525 2.259 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cnnn1CC ZINC000412984943 559069087 /nfs/dbraw/zinc/06/90/87/559069087.db2.gz DGODIQGTWAJHNP-UHFFFAOYSA-N 0 3 361.519 2.396 20 30 FEEDHN C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000413180804 559085966 /nfs/dbraw/zinc/08/59/66/559085966.db2.gz PQRKIPKFSNAFAF-INIZCTEOSA-N 0 3 353.470 2.376 20 30 FEEDHN C[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000413217143 559089267 /nfs/dbraw/zinc/08/92/67/559089267.db2.gz XQJYCUKJRREUTA-CJNGLKHVSA-N 0 3 367.419 2.434 20 30 FEEDHN N#Cc1ccccc1COc1cccc(CN2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC000414551521 559171118 /nfs/dbraw/zinc/17/11/18/559171118.db2.gz BNIMPCQPZNETME-TZIWHRDSSA-N 0 3 352.434 2.312 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000415382373 559229528 /nfs/dbraw/zinc/22/95/28/559229528.db2.gz AHZFRAHWLQXLNJ-MRXNPFEDSA-N 0 3 366.421 2.100 20 30 FEEDHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000415842993 559277540 /nfs/dbraw/zinc/27/75/40/559277540.db2.gz PRWKZYXYBQGDRS-QGZVFWFLSA-N 0 3 350.422 2.184 20 30 FEEDHN Cc1cc(NC(=O)NC2CCN(CCN(C)C)CC2)c(C#N)cc1N(C)C ZINC000417130918 559349191 /nfs/dbraw/zinc/34/91/91/559349191.db2.gz PRUBQTPPCRYJSH-UHFFFAOYSA-N 0 3 372.517 2.080 20 30 FEEDHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCc2ccc(C#N)cc2)cc1 ZINC000419273489 559434841 /nfs/dbraw/zinc/43/48/41/559434841.db2.gz BPTHIODJJHAKDO-LJQANCHMSA-N 0 3 364.449 2.114 20 30 FEEDHN CN1CCN(CCCNC(=O)NCC2(C#N)CCC2)[C@H](c2ccccc2)C1 ZINC000419417601 559441157 /nfs/dbraw/zinc/44/11/57/559441157.db2.gz HWPPCAQSFARGTF-IBGZPJMESA-N 0 3 369.513 2.358 20 30 FEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@@H]1CCCN1CCCO ZINC000419604952 559449616 /nfs/dbraw/zinc/44/96/16/559449616.db2.gz CZJHYIPUSGZYEV-HKUYNNGSSA-N 0 3 356.470 2.082 20 30 FEEDHN C=CCC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1ccccc1 ZINC000419663878 559452575 /nfs/dbraw/zinc/45/25/75/559452575.db2.gz KYNZKGHKCZQCDO-XIRDDKMYSA-N 0 3 359.470 2.039 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N[C@H](CN)CC(C)C)c1ccc(F)c(F)c1 ZINC000419678994 559453564 /nfs/dbraw/zinc/45/35/64/559453564.db2.gz OXCPNLSJNAOJQP-BBRMVZONSA-N 0 3 353.413 2.188 20 30 FEEDHN CN(C)CCNC(=O)c1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421346890 559539867 /nfs/dbraw/zinc/53/98/67/559539867.db2.gz ZZZJRMPAUOGLAF-UHFFFAOYSA-N 0 3 354.429 2.279 20 30 FEEDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)CCC#N ZINC000421392782 559541053 /nfs/dbraw/zinc/54/10/53/559541053.db2.gz VLPCMPBTLBUFAX-UHFFFAOYSA-N 0 3 368.459 2.135 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000424099654 559654729 /nfs/dbraw/zinc/65/47/29/559654729.db2.gz VPDDFYGNTAMABS-DLBZAZTESA-N 0 3 357.458 2.210 20 30 FEEDHN COCCN(C)CCOc1cccc(CNc2cc(C)ncc2C#N)c1 ZINC000425224759 559692284 /nfs/dbraw/zinc/69/22/84/559692284.db2.gz LGJIXSBJUINDDR-UHFFFAOYSA-N 0 3 354.454 2.253 20 30 FEEDHN CN1CCN(CCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)C1 ZINC000425409187 559700605 /nfs/dbraw/zinc/70/06/05/559700605.db2.gz ADFZLFBJZYRJOF-DFQSSKMNSA-N 0 3 369.513 2.357 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)nn1 ZINC000425435621 559702095 /nfs/dbraw/zinc/70/20/95/559702095.db2.gz TXWAXUKSEBGATD-OAHLLOKOSA-N 0 3 374.514 2.237 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425500124 559705934 /nfs/dbraw/zinc/70/59/34/559705934.db2.gz LEYIDSWJPJCARK-QKNQBKEWSA-N 0 3 354.498 2.247 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C(C)(C)COC)CC1 ZINC000425515249 559707181 /nfs/dbraw/zinc/70/71/81/559707181.db2.gz QZEWMSWKBWLVPI-LJQANCHMSA-N 0 3 362.514 2.197 20 30 FEEDHN CC(C)CN1CCO[C@H](CNC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547031 559708956 /nfs/dbraw/zinc/70/89/56/559708956.db2.gz WWNUUXFAOFNTEW-YLJYHZDGSA-N 0 3 372.513 2.024 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2COC)CC1 ZINC000425748229 559717445 /nfs/dbraw/zinc/71/74/45/559717445.db2.gz VTJUEOVRYZWNKM-UHFFFAOYSA-N 0 3 365.861 2.192 20 30 FEEDHN COC(=O)c1ccccc1CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428790215 559783621 /nfs/dbraw/zinc/78/36/21/559783621.db2.gz QNDDMGDZRHHGNS-KRWDZBQOSA-N 0 3 351.406 2.436 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2nccs2)cc1 ZINC000429945183 559809399 /nfs/dbraw/zinc/80/93/99/559809399.db2.gz PUXCYAOSQDMCBJ-SNVBAGLBSA-N 0 3 350.425 2.151 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccccn2)cc1 ZINC000429947011 559809489 /nfs/dbraw/zinc/80/94/89/559809489.db2.gz ODQQEWSGBSXYBX-ZDUSSCGKSA-N 0 3 358.423 2.431 20 30 FEEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@H](O)CN2CCCCC2)c1C#N ZINC000434454486 559900728 /nfs/dbraw/zinc/90/07/28/559900728.db2.gz ATPYROBFHJCISP-AWEZNQCLSA-N 0 3 374.510 2.129 20 30 FEEDHN N#CCCn1cc(CN2CCC[C@@H](CCC(N)=O)C2)c(-c2ccncc2)n1 ZINC000435135834 559916845 /nfs/dbraw/zinc/91/68/45/559916845.db2.gz VJOKZTQUPIVVTL-INIZCTEOSA-N 0 3 366.469 2.336 20 30 FEEDHN COc1cc(-c2noc(CCCCCNC(=O)C(C)C#N)n2)ccc1O ZINC000436880554 559955035 /nfs/dbraw/zinc/95/50/35/559955035.db2.gz RTFJNRIMHXAZCR-GFCCVEGCSA-N 0 3 358.398 2.439 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000439419121 559993508 /nfs/dbraw/zinc/99/35/08/559993508.db2.gz FDVDHLCMNCNLJH-KRWDZBQOSA-N 0 3 356.470 2.432 20 30 FEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000439433851 559993748 /nfs/dbraw/zinc/99/37/48/559993748.db2.gz BKIGEERMZRAUHG-HNNXBMFYSA-N 0 3 360.433 2.263 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000439479464 559995025 /nfs/dbraw/zinc/99/50/25/559995025.db2.gz SKDZLXDUEBXRPX-QFBILLFUSA-N 0 3 354.491 2.091 20 30 FEEDHN Cc1cc(S(=O)(=O)NCc2cccc(OCCN(C)C)c2)ccc1C#N ZINC000443942634 560096785 /nfs/dbraw/zinc/09/67/85/560096785.db2.gz DHIGIEIWIYZTBV-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN C[C@H]1[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCCN1C ZINC000446629704 560148842 /nfs/dbraw/zinc/14/88/42/560148842.db2.gz VXXUCUGMCMINHH-KUQKPQIMSA-N 0 3 371.485 2.425 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000448323471 560184530 /nfs/dbraw/zinc/18/45/30/560184530.db2.gz XVOWJPUIQXZCNJ-QGZVFWFLSA-N 0 3 359.470 2.427 20 30 FEEDHN COC(=O)[C@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCOCC1 ZINC000448936648 560207849 /nfs/dbraw/zinc/20/78/49/560207849.db2.gz NFYZXGRFSHVSJB-ZWKOTPCHSA-N 0 3 358.438 2.091 20 30 FEEDHN C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448982115 560210158 /nfs/dbraw/zinc/21/01/58/560210158.db2.gz WIUVMTRLOOCMMK-UKRRQHHQSA-N 0 3 374.872 2.117 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000450519286 560264933 /nfs/dbraw/zinc/26/49/33/560264933.db2.gz MBXCITCUHCYVAU-SFHVURJKSA-N 0 3 352.438 2.082 20 30 FEEDHN CN(C)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 ZINC000451011941 560282411 /nfs/dbraw/zinc/28/24/11/560282411.db2.gz YJCVOGGYTHXCHT-CQSZACIVSA-N 0 3 374.872 2.165 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H]1CCOC1(C)C ZINC000451236317 560294888 /nfs/dbraw/zinc/29/48/88/560294888.db2.gz NYYRLRMXGIVCRE-MRXNPFEDSA-N 0 3 362.474 2.109 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000451669861 560321092 /nfs/dbraw/zinc/32/10/92/560321092.db2.gz BENCFBLKPDOXIK-CVEARBPZSA-N 0 3 365.861 2.026 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000453604017 560390640 /nfs/dbraw/zinc/39/06/40/560390640.db2.gz BXRMFJGHCVDOFW-OAHLLOKOSA-N 0 3 374.872 2.431 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000453806504 560405240 /nfs/dbraw/zinc/40/52/40/560405240.db2.gz NOJDSPJXQZKQSI-KRWDZBQOSA-N 0 3 356.470 2.432 20 30 FEEDHN C=CCC1(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCC1 ZINC000454645363 560452806 /nfs/dbraw/zinc/45/28/06/560452806.db2.gz IBYMAMHFKMYHPU-QGZVFWFLSA-N 0 3 364.534 2.365 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000456253891 560513507 /nfs/dbraw/zinc/51/35/07/560513507.db2.gz AEMRFRPFMOISBO-UXHICEINSA-N 0 3 357.498 2.357 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CO)c2ccc(OC)cc2)CC1 ZINC000458329569 560615247 /nfs/dbraw/zinc/61/52/47/560615247.db2.gz YPKJIQDVYOOXGI-KRWDZBQOSA-N 0 3 361.486 2.111 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cn4cccnc4n3)C2)c(F)c1 ZINC000459396827 560684288 /nfs/dbraw/zinc/68/42/88/560684288.db2.gz GFFCYMTVENIQAC-OAHLLOKOSA-N 0 3 350.401 2.499 20 30 FEEDHN CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000460054002 560731944 /nfs/dbraw/zinc/73/19/44/560731944.db2.gz MXAUTOMCQABTHN-ZHALLVOQSA-N 0 3 370.497 2.288 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000466761541 560894809 /nfs/dbraw/zinc/89/48/09/560894809.db2.gz DFTFNROLNIUTIJ-KDOFPFPSSA-N 0 3 371.460 2.012 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2cccnc2)c1 ZINC000468843208 560940261 /nfs/dbraw/zinc/94/02/61/560940261.db2.gz FGYRLFAGWUYLHE-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN CN(C)C(=O)c1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470799920 560989935 /nfs/dbraw/zinc/98/99/35/560989935.db2.gz BTYHVCHVSJSCCF-IBGZPJMESA-N 0 3 360.417 2.259 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nncn2-c2ccccc2)cc1 ZINC000470841314 560991121 /nfs/dbraw/zinc/99/11/21/560991121.db2.gz OPJDMJFSQYSAAK-KRWDZBQOSA-N 0 3 356.389 2.138 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(-n3cncn3)cc2)cc1 ZINC000470845334 560991303 /nfs/dbraw/zinc/99/13/03/560991303.db2.gz SMBNQODATXJKPK-SFHVURJKSA-N 0 3 356.389 2.138 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(=O)Nc2cccc(F)c2)cc1 ZINC000470889086 560992973 /nfs/dbraw/zinc/99/29/73/560992973.db2.gz OSTNMVIYWWDBMC-OAHLLOKOSA-N 0 3 350.353 2.135 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNC(=O)CC2CCCCC2)cc1 ZINC000470895913 560993121 /nfs/dbraw/zinc/99/31/21/560993121.db2.gz BKKPXTXJIPLCFI-LJQANCHMSA-N 0 3 366.465 2.443 20 30 FEEDHN CCO[C@@H](C)c1noc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000470972496 560995485 /nfs/dbraw/zinc/99/54/85/560995485.db2.gz WPGUBCMOUQFYKN-BBRMVZONSA-N 0 3 367.409 2.380 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccc(Cl)cn2)cc1 ZINC000471058288 560997086 /nfs/dbraw/zinc/99/70/86/560997086.db2.gz YKMUTGAQYIHPQR-OAHLLOKOSA-N 0 3 354.797 2.484 20 30 FEEDHN CCN(CCCN1CCCC1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000473955574 561061913 /nfs/dbraw/zinc/06/19/13/561061913.db2.gz GKDWJNIELSLGCM-UHFFFAOYSA-N 0 3 353.463 2.335 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@@H]3CCN3C3CCCC3)C2)nc1 ZINC000528294610 562321411 /nfs/dbraw/zinc/32/14/11/562321411.db2.gz LLSBXIWRADXJOA-ZWKOTPCHSA-N 0 3 369.469 2.133 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H](Cc2ccncc2)C1 ZINC000528442915 562329502 /nfs/dbraw/zinc/32/95/02/562329502.db2.gz NAAKFICJEOZYPJ-GOSISDBHSA-N 0 3 359.429 2.246 20 30 FEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cnn(CCCOC)c2)cc1 ZINC000528921776 562352903 /nfs/dbraw/zinc/35/29/03/562352903.db2.gz VQGDGSWAHBYYNA-QGZVFWFLSA-N 0 3 354.410 2.443 20 30 FEEDHN COc1ccc2c(c1)[C@@H](NC[C@H](O)COc1ccccc1C#N)CCO2 ZINC000530233201 562403184 /nfs/dbraw/zinc/40/31/84/562403184.db2.gz VAEMYRYKNLJCFR-YJBOKZPZSA-N 0 3 354.406 2.420 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000530232857 562403264 /nfs/dbraw/zinc/40/32/64/562403264.db2.gz TYFKNYCNDJIRRS-RBUKOAKNSA-N 0 3 371.481 2.069 20 30 FEEDHN COc1ccccc1N1CC[C@@H](NC[C@@H](O)COc2ccccc2C#N)C1 ZINC000530232840 562403337 /nfs/dbraw/zinc/40/33/37/562403337.db2.gz TTWKAZZFGKKYMX-QZTJIDSGSA-N 0 3 367.449 2.175 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)C2(C#N)CC(C)C2)c1 ZINC000531817464 562457616 /nfs/dbraw/zinc/45/76/16/562457616.db2.gz KHPXXOJVPYIKMQ-UHFFFAOYSA-N 0 3 359.470 2.200 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC1 ZINC000532936218 562493011 /nfs/dbraw/zinc/49/30/11/562493011.db2.gz UCNJAWNAQDZVEH-MRXNPFEDSA-N 0 3 356.470 2.452 20 30 FEEDHN CC(C)(O)CN(CC(=O)Nc1cc(Cl)ccc1C#N)C1CCOCC1 ZINC000533345433 562506009 /nfs/dbraw/zinc/50/60/09/562506009.db2.gz QEBYMYZCGNJPHC-UHFFFAOYSA-N 0 3 365.861 2.402 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(F)c1 ZINC000533451827 562509422 /nfs/dbraw/zinc/50/94/22/562509422.db2.gz FXVWCZIKYHIUQC-YOEHRIQHSA-N 0 3 363.458 2.335 20 30 FEEDHN CN1CCC(n2cc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cn2)CC1 ZINC000601778589 567839201 /nfs/dbraw/zinc/83/92/01/567839201.db2.gz NORVCLATIHVDNI-QGZVFWFLSA-N 0 3 362.437 2.342 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)C(C)C ZINC000602024190 567902933 /nfs/dbraw/zinc/90/29/33/567902933.db2.gz VBXHETNCQWFCNK-GOSISDBHSA-N 0 3 372.444 2.451 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000602538944 567992661 /nfs/dbraw/zinc/99/26/61/567992661.db2.gz FZCCDPVRFUNSSL-KGLIPLIRSA-N 0 3 354.397 2.393 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000602587330 567994468 /nfs/dbraw/zinc/99/44/68/567994468.db2.gz ZORCAWAVYACKHY-OAHLLOKOSA-N 0 3 350.484 2.420 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@](C)(CO)Cc2ccc(F)cc2)CC1 ZINC000636742102 568005446 /nfs/dbraw/zinc/00/54/46/568005446.db2.gz JVTJDLRYKCSXFM-FQEVSTJZSA-N 0 3 363.477 2.459 20 30 FEEDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000568333164 568025459 /nfs/dbraw/zinc/02/54/59/568025459.db2.gz MXEIDNVLXHJWJI-LLVKDONJSA-N 0 3 374.304 2.328 20 30 FEEDHN N#Cc1ccc(OCCNC[C@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000568383941 568035727 /nfs/dbraw/zinc/03/57/27/568035727.db2.gz PHOMORDLXUKKED-INIZCTEOSA-N 0 3 351.406 2.448 20 30 FEEDHN C=CCc1cc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc(OC)c1OC ZINC000604185441 568222608 /nfs/dbraw/zinc/22/26/08/568222608.db2.gz NGCFTEKQZMXZJJ-MRXNPFEDSA-N 0 3 359.470 2.468 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736136982 598559329 /nfs/dbraw/zinc/55/93/29/598559329.db2.gz VFYLSVYXPFBZIH-LLVKDONJSA-N 0 3 367.438 2.479 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736136982 598559331 /nfs/dbraw/zinc/55/93/31/598559331.db2.gz VFYLSVYXPFBZIH-LLVKDONJSA-N 0 3 367.438 2.479 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820420481 599303180 /nfs/dbraw/zinc/30/31/80/599303180.db2.gz RQOCBAVPTLQQIM-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420481 599303182 /nfs/dbraw/zinc/30/31/82/599303182.db2.gz RQOCBAVPTLQQIM-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814816405 674881783 /nfs/dbraw/zinc/88/17/83/674881783.db2.gz NEYHLSMVUHJRLY-UHFFFAOYSA-N 0 3 357.479 2.218 20 30 FEEDHN C=CCNC(=O)CN1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203972 674930023 /nfs/dbraw/zinc/93/00/23/674930023.db2.gz PCLXSNXLIIKMNM-HZPDHXFCSA-N 0 3 351.491 2.400 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000815860659 674978825 /nfs/dbraw/zinc/97/88/25/674978825.db2.gz VLTANTFFAMLFLM-UHFFFAOYSA-N 0 3 373.400 2.308 20 30 FEEDHN CC(C)c1nc(CCNCCS(=O)(=O)c2ccc(C#N)cn2)cs1 ZINC000564848458 675067913 /nfs/dbraw/zinc/06/79/13/675067913.db2.gz XJKSNLSFNDZKIL-UHFFFAOYSA-N 0 3 364.496 2.139 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C(=O)OC)c2ccc(Cl)c(F)c2)CC1 ZINC000089373078 670700004 /nfs/dbraw/zinc/70/00/04/670700004.db2.gz PZTQKRHTZRTQOT-MRXNPFEDSA-N 0 3 366.820 2.155 20 30 FEEDHN O=C(NCCNCc1cc(Br)cs1)C1N=CC=CC1=O ZINC000113360759 670883880 /nfs/dbraw/zinc/88/38/80/670883880.db2.gz JOMNCCZUAFWZHM-SEYXRHQNSA-N 0 3 356.245 2.127 20 30 FEEDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000580743841 671828854 /nfs/dbraw/zinc/82/88/54/671828854.db2.gz QHOGCKHYZVQSNE-LLVKDONJSA-N 0 3 374.304 2.328 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000582117609 671969809 /nfs/dbraw/zinc/96/98/09/671969809.db2.gz XUQXSTWYHGDCMH-INIZCTEOSA-N 0 3 363.527 2.432 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@@]1(OC)CCOC1 ZINC000122953342 671972781 /nfs/dbraw/zinc/97/27/81/671972781.db2.gz HSNQOPCFOZUGFL-INIZCTEOSA-N 0 3 354.244 2.356 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCS(=O)(=O)C1CCCC1 ZINC000123019315 671973811 /nfs/dbraw/zinc/97/38/11/671973811.db2.gz QWUAYRXOWKLWIF-AWEZNQCLSA-N 0 3 359.451 2.497 20 30 FEEDHN N#CC1(CS(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC000584689345 672205972 /nfs/dbraw/zinc/20/59/72/672205972.db2.gz JDPQNJTVGCDCGV-ROUUACIJSA-N 0 3 359.495 2.074 20 30 FEEDHN CSCCCON=C(N)CCN1CCN(Cc2ccccc2)CC1 ZINC000174148615 672358551 /nfs/dbraw/zinc/35/85/51/672358551.db2.gz DKZHUGTWXMWYBG-UHFFFAOYSA-N 0 3 350.532 2.236 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000193420978 672724045 /nfs/dbraw/zinc/72/40/45/672724045.db2.gz NTJVPBGABYWPCK-AWEZNQCLSA-N 0 3 352.818 2.279 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000193425260 672724788 /nfs/dbraw/zinc/72/47/88/672724788.db2.gz BXXXOWXGJTWCPP-ONGXEEELSA-N 0 3 359.209 2.232 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000594430105 673070805 /nfs/dbraw/zinc/07/08/05/673070805.db2.gz VURQXCGUSPOBSO-MRXNPFEDSA-N 0 3 362.861 2.036 20 30 FEEDHN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594430331 673070849 /nfs/dbraw/zinc/07/08/49/673070849.db2.gz ZOFWARFODLAOPU-CZUORRHYSA-N 0 3 351.472 2.021 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000594431938 673071418 /nfs/dbraw/zinc/07/14/18/673071418.db2.gz SWOZSYTYZZLKAP-AAEUAGOBSA-N 0 3 374.268 2.261 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000594853978 673164451 /nfs/dbraw/zinc/16/44/51/673164451.db2.gz CCPUMWZNEWFELM-HNNXBMFYSA-N 0 3 363.483 2.252 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(I)cc1F ZINC000595255046 673214121 /nfs/dbraw/zinc/21/41/21/673214121.db2.gz HMPCIJSQJAEPCT-SNVBAGLBSA-N 0 3 361.158 2.390 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CCN(C)C2)nc1C ZINC000729284321 673231301 /nfs/dbraw/zinc/23/13/01/673231301.db2.gz YQEPJVDNGAZPQN-JTQLQIEISA-N 0 3 364.500 2.075 20 30 FEEDHN C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)C1=CCN(C)CC1 ZINC000595581481 673269587 /nfs/dbraw/zinc/26/95/87/673269587.db2.gz LGXBDFKRLZPLTM-AWEZNQCLSA-N 0 3 359.499 2.102 20 30 FEEDHN CN1CCN(Cc2ccc(CNc3nc(C#N)c(Cl)s3)cc2)CC1 ZINC000596075740 673356473 /nfs/dbraw/zinc/35/64/73/673356473.db2.gz KHJWZGNABMVYGD-UHFFFAOYSA-N 0 3 361.902 3.028 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)COC[C@H]2CCCO2)cc1Cl ZINC000733679422 673431120 /nfs/dbraw/zinc/43/11/20/673431120.db2.gz HEMGUCJXGKNIBN-OLZOCXBDSA-N 0 3 366.801 2.192 20 30 FEEDHN CN(C[C@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1)S(C)(=O)=O ZINC000597126749 673450176 /nfs/dbraw/zinc/45/01/76/673450176.db2.gz CHTQHKLNOHRMBS-QGZVFWFLSA-N 0 3 361.511 2.345 20 30 FEEDHN CCOCCCN1CCC(=NNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000735224200 673486523 /nfs/dbraw/zinc/48/65/23/673486523.db2.gz PJUKTVIJJAUCBG-HNNXBMFYSA-N 0 3 353.488 2.089 20 30 FEEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000598536599 673579849 /nfs/dbraw/zinc/57/98/49/673579849.db2.gz UADRVMALRHTLJQ-CQSZACIVSA-N 0 3 362.861 2.322 20 30 FEEDHN N#CC(C(=O)CCSc1ccc2c(c1)OCCO2)C(=O)N1CCCC1 ZINC000739143881 673628509 /nfs/dbraw/zinc/62/85/09/673628509.db2.gz OTGCBRILAMFEDM-AWEZNQCLSA-N 0 3 360.435 2.271 20 30 FEEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000740529710 673648231 /nfs/dbraw/zinc/64/82/31/673648231.db2.gz SPDQZBPODVALKG-PSEXLTFBSA-N 0 3 360.797 2.229 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000818593243 675226904 /nfs/dbraw/zinc/22/69/04/675226904.db2.gz QVRCWDCHZYGTFL-GFCCVEGCSA-N 0 3 358.408 2.237 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000818602763 675227807 /nfs/dbraw/zinc/22/78/07/675227807.db2.gz CTSGRSKRNANCEH-UHFFFAOYSA-N 0 3 355.280 2.086 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000819197257 675268869 /nfs/dbraw/zinc/26/88/69/675268869.db2.gz HOYXTOSAUHGJOD-OWCLPIDISA-N 0 3 368.549 2.301 20 30 FEEDHN C#C[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)c1ccc(Cl)cc1F ZINC000820750082 675384975 /nfs/dbraw/zinc/38/49/75/675384975.db2.gz KEDHLQGRHAPUCV-RHSMWYFYSA-N 0 3 367.852 2.299 20 30 FEEDHN O=C(C#Cc1cccs1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000827919544 675786903 /nfs/dbraw/zinc/78/69/03/675786903.db2.gz KTDDUQHJSLHZKB-MJGOQNOKSA-N 0 3 354.475 2.099 20 30 FEEDHN C#CCN(C1CCCC1)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000830844740 677064727 /nfs/dbraw/zinc/06/47/27/677064727.db2.gz HBFXDOFTFDYURP-GFCCVEGCSA-N 0 3 355.378 2.078 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(I)c1 ZINC000838624304 680706803 /nfs/dbraw/zinc/70/68/03/680706803.db2.gz QRBKUAYTMUUNJC-UHFFFAOYSA-N 0 3 371.222 2.368 20 30 FEEDHN C#Cc1cccc(NC(=S)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000763307727 680779427 /nfs/dbraw/zinc/77/94/27/680779427.db2.gz ZPDOKOCCEKFFHP-LPHOPBHVSA-N 0 3 356.539 2.323 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000833173089 680189648 /nfs/dbraw/zinc/18/96/48/680189648.db2.gz VDLDWUCGLCAOFQ-OAHLLOKOSA-N 0 3 351.491 2.141 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CC(=O)OC)c2ccc(Cl)cc2)CC1 ZINC000752374197 680238198 /nfs/dbraw/zinc/23/81/98/680238198.db2.gz JCPAWGIMTHIBDD-KRWDZBQOSA-N 0 3 362.857 2.406 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](CNCc2cnns2)C1 ZINC001024191768 680283217 /nfs/dbraw/zinc/28/32/17/680283217.db2.gz DGGHZKKOBXHCEC-XIRDDKMYSA-N 0 3 364.515 2.238 20 30 FEEDHN CO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000835060891 680292215 /nfs/dbraw/zinc/29/22/15/680292215.db2.gz OTDZTRNIKANYBS-DJSGYFEHSA-N 0 3 350.802 2.429 20 30 FEEDHN COCc1nn(C)cc1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000835064990 680292594 /nfs/dbraw/zinc/29/25/94/680292594.db2.gz JLAUGZCHONFASI-JTQLQIEISA-N 0 3 364.764 2.320 20 30 FEEDHN CC(C)(CCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000835341434 680321220 /nfs/dbraw/zinc/32/12/20/680321220.db2.gz UQQOCHWLJGWJLS-NSHDSACASA-N 0 3 353.325 2.125 20 30 FEEDHN CO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835340211 680321354 /nfs/dbraw/zinc/32/13/54/680321354.db2.gz KIAYLSCYJBKEFD-FRFSOERESA-N 0 3 364.829 2.107 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]c1C)C2 ZINC000999013708 680394455 /nfs/dbraw/zinc/39/44/55/680394455.db2.gz SYOUWGVLRPAQOV-SNPRPXQTSA-N 0 3 364.877 2.287 20 30 FEEDHN Cc1[nH]cnc1C=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000755512819 680418787 /nfs/dbraw/zinc/41/87/87/680418787.db2.gz UPPSVSHOZHVZFR-UHFFFAOYSA-N 0 3 356.499 2.181 20 30 FEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1 ZINC001034997462 680441970 /nfs/dbraw/zinc/44/19/70/680441970.db2.gz CMWHCYFOQGEJOT-XTENKEOPSA-N 0 3 357.479 2.124 20 30 FEEDHN C#C[C@@H](NC(=O)NCCN(C)CCOC)c1ccc(Br)cc1 ZINC000836285928 680444948 /nfs/dbraw/zinc/44/49/48/680444948.db2.gz YWQLTFKTILNINF-OAHLLOKOSA-N 0 3 368.275 2.001 20 30 FEEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001039131824 680462054 /nfs/dbraw/zinc/46/20/54/680462054.db2.gz WTVYSVPKUCONCN-XOKHGSTOSA-N 0 3 367.921 2.214 20 30 FEEDHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2snc(Cl)c2C#N)C1)N(C)C ZINC001043261315 680569880 /nfs/dbraw/zinc/56/98/80/680569880.db2.gz GASRKMYIWYNMMF-YUSALJHKSA-N 0 3 355.895 2.267 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@@H]1COC(=O)C1 ZINC000766256883 680871998 /nfs/dbraw/zinc/87/19/98/680871998.db2.gz FMIWPFKSQBHFGZ-QWRGUYRKSA-N 0 3 364.785 2.258 20 30 FEEDHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(c2nc(Cl)c(C#N)s2)[C@@H]1C ZINC001050503049 681048779 /nfs/dbraw/zinc/04/87/79/681048779.db2.gz XFYJEWYSTMPKAG-ZJUUUORDSA-N 0 3 364.862 2.026 20 30 FEEDHN N#Cc1ccc(CNC[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)CCO2)s1 ZINC001051723037 681068830 /nfs/dbraw/zinc/06/88/30/681068830.db2.gz BHFZWEJRJVXIGW-DAYGRLMNSA-N 0 3 359.495 2.373 20 30 FEEDHN Cc1nsc(NC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1C#N ZINC001054569077 681113168 /nfs/dbraw/zinc/11/31/68/681113168.db2.gz AZUWWLJPEXOGGK-UMVBOHGHSA-N 0 3 361.515 2.171 20 30 FEEDHN COCCCOCC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000776075925 681361258 /nfs/dbraw/zinc/36/12/58/681361258.db2.gz AAOHFBJEANXDFJ-LBPRGKRZSA-N 0 3 368.817 2.358 20 30 FEEDHN COc1ccc(C[C@](C)(CO)NCC(=O)Nc2sccc2C#N)cc1 ZINC000933428279 681410502 /nfs/dbraw/zinc/41/05/02/681410502.db2.gz LDFVKPUMSBTQPF-GOSISDBHSA-N 0 3 359.451 2.150 20 30 FEEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000778176289 681582724 /nfs/dbraw/zinc/58/27/24/681582724.db2.gz HVCAYRLCBFLXJV-CZUORRHYSA-N 0 3 370.902 2.160 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1cccc(Cl)c1 ZINC000916872390 685528350 /nfs/dbraw/zinc/52/83/50/685528350.db2.gz IVVKKTOPCCRORZ-OAHLLOKOSA-N 0 3 352.818 2.359 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000916918439 685528593 /nfs/dbraw/zinc/52/85/93/685528593.db2.gz MCPNLNAIKSMSSF-NSHDSACASA-N 0 3 360.464 2.411 20 30 FEEDHN C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000852098647 682219834 /nfs/dbraw/zinc/21/98/34/682219834.db2.gz RVEFZXCWAYLRDA-SFHVURJKSA-N 0 3 354.397 2.347 20 30 FEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000917507985 685532646 /nfs/dbraw/zinc/53/26/46/685532646.db2.gz GCOOZSFQGPIGSG-NSHDSACASA-N 0 3 357.753 2.467 20 30 FEEDHN COC[C@@H](C#N)OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000785227095 682281315 /nfs/dbraw/zinc/28/13/15/682281315.db2.gz ADWHJUXJMJBECP-GHMZBOCLSA-N 0 3 357.193 2.428 20 30 FEEDHN CN1C[C@@]2(C)CN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C[C@]2(C)C1 ZINC000918369214 685538882 /nfs/dbraw/zinc/53/88/82/685538882.db2.gz QWBUXLUAFZJECC-OALUTQOASA-N 0 3 361.511 2.450 20 30 FEEDHN C#C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C1CCOCC1 ZINC000852644264 682312750 /nfs/dbraw/zinc/31/27/50/682312750.db2.gz MHIQFEBSOXYLDJ-QGZVFWFLSA-N 0 3 365.543 2.076 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(CCC(C)(C)C)CCO2 ZINC000972560794 682421891 /nfs/dbraw/zinc/42/18/91/682421891.db2.gz GDUIEGVOBJSJSW-UWVAXJGDSA-N 0 3 350.503 2.317 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)CN(CC(C)C)CCO2 ZINC000972595204 682425303 /nfs/dbraw/zinc/42/53/03/682425303.db2.gz WHOBZYYWANTEAB-CMKODMSKSA-N 0 3 350.503 2.317 20 30 FEEDHN C=C[C@@H](O)C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000854502989 682559455 /nfs/dbraw/zinc/55/94/55/682559455.db2.gz CXUWLJOAFKYOBO-MRXNPFEDSA-N 0 3 367.287 2.419 20 30 FEEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](C)[S@@]1=O ZINC000792395869 682809141 /nfs/dbraw/zinc/80/91/41/682809141.db2.gz ZJLCVUVAMQOYBS-UZDBDGJJSA-N 0 3 361.492 2.314 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000796740668 683191855 /nfs/dbraw/zinc/19/18/55/683191855.db2.gz MKMKSSGHRXITKZ-SUYBPPKGSA-N 0 3 364.467 2.250 20 30 FEEDHN C=CCN1CC[C@@H](N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)C1=O ZINC000799121612 683424296 /nfs/dbraw/zinc/42/42/96/683424296.db2.gz HXMNNSXDCBTFMH-GOEBONIOSA-N 0 3 351.491 2.399 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ncc(Cl)cc2CC)CC1 ZINC000861759928 683467155 /nfs/dbraw/zinc/46/71/55/683467155.db2.gz RKKTWGNNEYRKFW-UHFFFAOYSA-N 0 3 350.850 2.003 20 30 FEEDHN CNC(=O)[C@H](CNCc1csc(C#N)c1)Cc1ccc(OC)c(F)c1 ZINC000922207203 683679118 /nfs/dbraw/zinc/67/91/18/683679118.db2.gz IBYPOMQGBGWKIB-AWEZNQCLSA-N 0 3 361.442 2.462 20 30 FEEDHN C=CCn1c(C)nn(CN2CCC(CC)(N3CCOCC3)CC2)c1=S ZINC000863327556 683706504 /nfs/dbraw/zinc/70/65/04/683706504.db2.gz NQCHHMFLOQTIAD-UHFFFAOYSA-N 0 3 365.547 2.443 20 30 FEEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000930310508 683709324 /nfs/dbraw/zinc/70/93/24/683709324.db2.gz HCFCTEFJBCFCSK-PMPSAXMXSA-N 0 3 351.491 2.399 20 30 FEEDHN C=CCOc1c(Cl)cc(CNC[C@@H](O)c2ccnn2C)cc1OC ZINC000922970656 683813382 /nfs/dbraw/zinc/81/33/82/683813382.db2.gz QSNDKBOLRQBCDV-OAHLLOKOSA-N 0 3 351.834 2.470 20 30 FEEDHN C#CC1(O)CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000931143410 683840943 /nfs/dbraw/zinc/84/09/43/683840943.db2.gz ZBKONIJAJWBVOW-UHFFFAOYSA-N 0 3 357.479 2.287 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@@H](O)[C@@H](C)O)cc1OCC ZINC000865741815 684021694 /nfs/dbraw/zinc/02/16/94/684021694.db2.gz SUDIRVBANHSZPU-BXUZGUMPSA-N 0 3 374.275 2.244 20 30 FEEDHN CN(C)CC#CCNC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000931307009 684258362 /nfs/dbraw/zinc/25/83/62/684258362.db2.gz NESUDLZIOXLMGC-UHFFFAOYSA-N 0 3 356.348 2.264 20 30 FEEDHN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000868521120 684505674 /nfs/dbraw/zinc/50/56/74/684505674.db2.gz QEOLRYKUYKZTLB-HZSPNIEDSA-N 0 3 357.882 2.185 20 30 FEEDHN C=C(Cl)C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(=O)OCC ZINC000870031356 684677640 /nfs/dbraw/zinc/67/76/40/684677640.db2.gz OFBMDLINMBAQRU-OAHLLOKOSA-N 0 3 372.893 2.212 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000876631993 686233148 /nfs/dbraw/zinc/23/31/48/686233148.db2.gz PCKWMDOGQWAJFB-KGLIPLIRSA-N 0 3 354.813 2.018 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000876634005 686233916 /nfs/dbraw/zinc/23/39/16/686233916.db2.gz IZXXUWKSASAYHQ-NSHDSACASA-N 0 3 374.666 2.282 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000876638826 686234859 /nfs/dbraw/zinc/23/48/59/686234859.db2.gz OWLMXXBXJBUQRP-OAHLLOKOSA-N 0 3 353.825 2.473 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000876693493 686245001 /nfs/dbraw/zinc/24/50/01/686245001.db2.gz WISLUPKXNHTTKI-GOEBONIOSA-N 0 3 352.862 2.496 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000876728452 686254902 /nfs/dbraw/zinc/25/49/02/686254902.db2.gz MHRFCXMVJBMNRM-AAEUAGOBSA-N 0 3 371.268 2.382 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(I)c(C)n1 ZINC000876854497 686282193 /nfs/dbraw/zinc/28/21/93/686282193.db2.gz HXGZBFGXAWDMFS-VIFPVBQESA-N 0 3 365.602 2.403 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2cccc(OC)c2F)CCOCC1 ZINC000877236061 686342615 /nfs/dbraw/zinc/34/26/15/686342615.db2.gz VLPYKPHBKQIIOH-ZDUSSCGKSA-N 0 3 356.825 2.426 20 30 FEEDHN CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586514 686864265 /nfs/dbraw/zinc/86/42/65/686864265.db2.gz FNHAKYAECCMBDP-QGZVFWFLSA-N 0 3 367.386 2.265 20 30 FEEDHN C#CC1(NCc2ccc(S(N)(=O)=O)c(Br)c2)CCCC1 ZINC000883361707 687614590 /nfs/dbraw/zinc/61/45/90/687614590.db2.gz JOSMPSHEVQFUKT-UHFFFAOYSA-N 0 3 357.273 2.132 20 30 FEEDHN C#CCN(C(=O)c1cc([O-])cc(Br)c1)C1CC[NH+](C)CC1 ZINC000886573651 688278221 /nfs/dbraw/zinc/27/82/21/688278221.db2.gz QFGCDVLXIWMFEJ-UHFFFAOYSA-N 0 3 351.244 2.324 20 30 FEEDHN C#CCN(C(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886573235 688278421 /nfs/dbraw/zinc/27/84/21/688278421.db2.gz BCLCSHIMMNCTML-HNNXBMFYSA-N 0 3 351.491 2.188 20 30 FEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888412555 688607008 /nfs/dbraw/zinc/60/70/08/688607008.db2.gz NCRZAVJNDBWGAM-SNVBAGLBSA-N 0 3 357.867 2.243 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)CC1 ZINC000892850302 689252874 /nfs/dbraw/zinc/25/28/74/689252874.db2.gz GKMGNKFKHDGXAP-ZWKOTPCHSA-N 0 3 351.491 2.006 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(C(F)(F)F)n(C)n2)CC1 ZINC000892851737 689253542 /nfs/dbraw/zinc/25/35/42/689253542.db2.gz POQYSNJZBNRJBY-UHFFFAOYSA-N 0 3 359.396 2.279 20 30 FEEDHN C#CCC1(NCc2sc(N3CCOCC3)nc2Cl)CCOCC1 ZINC000895894413 689789701 /nfs/dbraw/zinc/78/97/01/689789701.db2.gz KYABUZTYIMXBKT-UHFFFAOYSA-N 0 3 355.891 2.295 20 30 FEEDHN N#Cc1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903518368 690908310 /nfs/dbraw/zinc/90/83/10/690908310.db2.gz ZZOTVKHNJISYBN-JTQLQIEISA-N 0 3 371.434 2.296 20 30 FEEDHN Cc1ccc(CC#N)c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164736906 720585390 /nfs/dbraw/zinc/58/53/90/720585390.db2.gz VPABSYOUXYBLOE-UHFFFAOYSA-N 0 3 350.470 2.311 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@@H]3C2)cn1 ZINC001164773336 721182185 /nfs/dbraw/zinc/18/21/85/721182185.db2.gz WHTHXEVHRNFIEB-RDJZCZTQSA-N 0 3 361.453 2.126 20 30 FEEDHN N#Cc1cc(F)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981562 722105119 /nfs/dbraw/zinc/10/51/19/722105119.db2.gz LSIOBGVRRSOFAP-QFBILLFUSA-N 0 3 367.428 2.215 20 30 FEEDHN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1C#N ZINC001164973145 722129724 /nfs/dbraw/zinc/12/97/24/722129724.db2.gz BARRXMNAXZPOGE-UXHICEINSA-N 0 3 363.465 2.384 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)CN1CCCCC1 ZINC000032664449 539947016 /nfs/dbraw/zinc/94/70/16/539947016.db2.gz UXVILBBZGKLKAY-AWEZNQCLSA-N 0 3 368.485 2.141 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000041593427 540026079 /nfs/dbraw/zinc/02/60/79/540026079.db2.gz JTRWRCCVDCDLJE-GOSISDBHSA-N 0 3 356.470 2.369 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000550420589 674094538 /nfs/dbraw/zinc/09/45/38/674094538.db2.gz XDALMKVULRXROX-GFCCVEGCSA-N 0 3 362.499 2.456 20 30 FEEDHN CN(CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccc(C#N)cc1 ZINC000046530476 540261095 /nfs/dbraw/zinc/26/10/95/540261095.db2.gz YAJOFYZZQIEOSS-UHFFFAOYSA-N 0 3 363.465 2.124 20 30 FEEDHN COC(=O)c1ccc(OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000046528714 540261149 /nfs/dbraw/zinc/26/11/49/540261149.db2.gz OHEGOMGOEQYTTL-GOSISDBHSA-N 0 3 354.406 2.217 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054281540 540580179 /nfs/dbraw/zinc/58/01/79/540580179.db2.gz PSSMXABDKWVMAA-UHFFFAOYSA-N 0 3 366.465 2.044 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054281540 540580183 /nfs/dbraw/zinc/58/01/83/540580183.db2.gz PSSMXABDKWVMAA-UHFFFAOYSA-N 0 3 366.465 2.044 20 30 FEEDHN CC#CC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000801159572 674105617 /nfs/dbraw/zinc/10/56/17/674105617.db2.gz QZIQOXFIDZISBQ-UHFFFAOYSA-N 0 3 365.271 2.432 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000057066488 540766203 /nfs/dbraw/zinc/76/62/03/540766203.db2.gz YOTRLSBWGJBKTR-UHFFFAOYSA-N 0 3 357.498 2.351 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000538618290 540873405 /nfs/dbraw/zinc/87/34/05/540873405.db2.gz ACPSFYRMPJZOHU-UHFFFAOYSA-N 0 3 362.478 2.116 20 30 FEEDHN C[C@H]1CN(C2CCN(CCC(=O)Nc3ccccc3C#N)CC2)CCO1 ZINC000067400141 541458557 /nfs/dbraw/zinc/45/85/57/541458557.db2.gz CTQUXSYFDLPUOT-INIZCTEOSA-N 0 3 356.470 2.072 20 30 FEEDHN N#Cc1cccnc1N1CCCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000067460053 541467314 /nfs/dbraw/zinc/46/73/14/541467314.db2.gz YIJKMRVPXMFOPH-FQEVSTJZSA-N 0 3 366.465 2.043 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCN1C ZINC000542960254 541509306 /nfs/dbraw/zinc/50/93/06/541509306.db2.gz VPSHLDPLGSQGSM-GXTWGEPZSA-N 0 3 356.405 2.487 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000068531076 541604173 /nfs/dbraw/zinc/60/41/73/541604173.db2.gz NXTHRMMOKWAUTM-GOSISDBHSA-N 0 3 368.456 2.128 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000068531079 541604468 /nfs/dbraw/zinc/60/44/68/541604468.db2.gz NXTHRMMOKWAUTM-SFHVURJKSA-N 0 3 368.456 2.128 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C(=O)N2CCCC2)CC1 ZINC000073507239 541960074 /nfs/dbraw/zinc/96/00/74/541960074.db2.gz VJTCLTAXXXTTDW-HXUWFJFHSA-N 0 3 372.509 2.489 20 30 FEEDHN C=CCCCN(C)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000076736450 542319496 /nfs/dbraw/zinc/31/94/96/542319496.db2.gz HUEQYXUZMPZVFK-UHFFFAOYSA-N 0 3 357.498 2.164 20 30 FEEDHN CN1CCN(C[C@H]2CCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000077452800 542384244 /nfs/dbraw/zinc/38/42/44/542384244.db2.gz LERWITFSEXMXBD-GFOMBABLSA-N 0 3 352.482 2.057 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000078451661 542462544 /nfs/dbraw/zinc/46/25/44/542462544.db2.gz WIIIVDCEZCLQRL-WOJBJXKFSA-N 0 3 354.498 2.343 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCCn2c(C)nnc21)C(C)C ZINC000080077619 542563238 /nfs/dbraw/zinc/56/32/38/542563238.db2.gz FEZKQODXFWXXKO-DLBZAZTESA-N 0 3 360.506 2.419 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(c3nnc[nH]3)CC1)CCC2 ZINC000083443377 542697560 /nfs/dbraw/zinc/69/75/60/542697560.db2.gz LJEJCLKGONTDGN-UHFFFAOYSA-N 0 3 370.482 2.435 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000085576581 542730791 /nfs/dbraw/zinc/73/07/91/542730791.db2.gz AGBAAJIVODOZSQ-DLBZAZTESA-N 0 3 372.469 2.410 20 30 FEEDHN C=CCNC(=O)c1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)nc1 ZINC000089644440 542767643 /nfs/dbraw/zinc/76/76/43/542767643.db2.gz KDGYSLQFSOIUBP-RTBURBONSA-N 0 3 366.465 2.045 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)NC[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000103163851 543095716 /nfs/dbraw/zinc/09/57/16/543095716.db2.gz AHKRMMJRWYPCGK-LJQANCHMSA-N 0 3 369.490 2.401 20 30 FEEDHN COCCN(CCN(C)C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000105101666 543158610 /nfs/dbraw/zinc/15/86/10/543158610.db2.gz CJAHEUXTWKWJHI-UHFFFAOYSA-N 0 3 371.403 2.277 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000106037492 543186154 /nfs/dbraw/zinc/18/61/54/543186154.db2.gz OHJBGVCEHJQCDC-UHFFFAOYSA-N 0 3 352.438 2.003 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000112549185 543451304 /nfs/dbraw/zinc/45/13/04/543451304.db2.gz QHZLXOHMVGCEMQ-UKRRQHHQSA-N 0 3 359.499 2.156 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccccc1-n1cnnn1)C(C)C ZINC000112919818 543468578 /nfs/dbraw/zinc/46/85/78/543468578.db2.gz VYYQQNVQIJQJJZ-GOSISDBHSA-N 0 3 354.458 2.091 20 30 FEEDHN N#Cc1ccc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cn1 ZINC000115073842 543550966 /nfs/dbraw/zinc/55/09/66/543550966.db2.gz PZNHZYYSAYGWMO-UHFFFAOYSA-N 0 3 363.421 2.031 20 30 FEEDHN N#Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)cn1 ZINC000115337588 543560865 /nfs/dbraw/zinc/56/08/65/543560865.db2.gz JANWBBVZOUICBG-UHFFFAOYSA-N 0 3 363.465 2.285 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000119433373 543667572 /nfs/dbraw/zinc/66/75/72/543667572.db2.gz KYPQRDFKBOSHFW-IEBWSBKVSA-N 0 3 357.502 2.289 20 30 FEEDHN N#CCc1ccc(OC[C@H](O)CN2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000119486069 543667954 /nfs/dbraw/zinc/66/79/54/543667954.db2.gz KOZPKMUYQKFRIN-RTBURBONSA-N 0 3 374.481 2.010 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)Nc2ccnn2C2CCN(CC)CC2)c1 ZINC000120555310 543681749 /nfs/dbraw/zinc/68/17/49/543681749.db2.gz FZULHNURADTBCU-UHFFFAOYSA-N 0 3 365.437 2.098 20 30 FEEDHN N#Cc1ccc2ncc(CNC[C@H](c3cccs3)N3CCOCC3)n2c1 ZINC000123150771 543745591 /nfs/dbraw/zinc/74/55/91/543745591.db2.gz RDCNWDDCFSDGRO-QGZVFWFLSA-N 0 3 367.478 2.431 20 30 FEEDHN C=CCOc1ccc(CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000122276538 543704768 /nfs/dbraw/zinc/70/47/68/543704768.db2.gz FODYNICTAXSMEV-UHFFFAOYSA-N 0 3 352.481 2.381 20 30 FEEDHN N#Cc1ccc2ncc(CNCCCNC(=O)c3cccc(F)c3)n2c1 ZINC000123713691 543778707 /nfs/dbraw/zinc/77/87/07/543778707.db2.gz VHESQNZWQBTOEB-UHFFFAOYSA-N 0 3 351.385 2.255 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCN(C)[C@@H](C)C3)cc2C1=O ZINC000123385574 543759080 /nfs/dbraw/zinc/75/90/80/543759080.db2.gz FNTHRCQUAPTXAL-DZGCQCFKSA-N 0 3 355.438 2.023 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CN1C1CC1 ZINC000127834657 544016058 /nfs/dbraw/zinc/01/60/58/544016058.db2.gz AZBPLNZRKPIONS-GOEBONIOSA-N 0 3 371.460 2.154 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1c1nncn1C)C(C)C ZINC000130077455 544138149 /nfs/dbraw/zinc/13/81/49/544138149.db2.gz CXOCIXTYAUYOMU-SJORKVTESA-N 0 3 360.506 2.360 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3CC(C)C)CC2)o1 ZINC000130245996 544144254 /nfs/dbraw/zinc/14/42/54/544144254.db2.gz WIPPPGQZGRWGML-INIZCTEOSA-N 0 3 359.474 2.014 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)CC1 ZINC000132471155 544232189 /nfs/dbraw/zinc/23/21/89/544232189.db2.gz VJYZRYHYTYFPLA-UHFFFAOYSA-N 0 3 363.461 2.489 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000133370011 544267127 /nfs/dbraw/zinc/26/71/27/544267127.db2.gz SGUWAPHMLGGHAX-KGLIPLIRSA-N 0 3 360.845 2.235 20 30 FEEDHN N#Cc1ccc(CN2CCC(N[C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000134870546 544324658 /nfs/dbraw/zinc/32/46/58/544324658.db2.gz SKJADAQFZNRFDV-FQEVSTJZSA-N 0 3 366.440 2.478 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(C)C ZINC000135841516 544362450 /nfs/dbraw/zinc/36/24/50/544362450.db2.gz IVNWVLMWQXIVMN-GOSISDBHSA-N 0 3 372.444 2.451 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000151170569 544512389 /nfs/dbraw/zinc/51/23/89/544512389.db2.gz GEWCKLBFOXJABX-OAHLLOKOSA-N 0 3 351.447 2.336 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000151619852 544562770 /nfs/dbraw/zinc/56/27/70/544562770.db2.gz GDLMILWLRRQKPE-MRXNPFEDSA-N 0 3 366.387 2.320 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151867055 544589942 /nfs/dbraw/zinc/58/99/42/544589942.db2.gz FQVRITARQINFCX-LNLFQRSKSA-N 0 3 356.422 2.479 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151974221 544602381 /nfs/dbraw/zinc/60/23/81/544602381.db2.gz FYABDARGMGFWDN-QAPCUYQASA-N 0 3 356.470 2.466 20 30 FEEDHN CCN(C(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153275599 544755178 /nfs/dbraw/zinc/75/51/78/544755178.db2.gz ITLWJSXVOOOIIV-CQSZACIVSA-N 0 3 354.458 2.170 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154628661 544930288 /nfs/dbraw/zinc/93/02/88/544930288.db2.gz NIHRJNPZIZVWAK-UHFFFAOYSA-N 0 3 370.497 2.273 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)[C@@H](C)CC)nc1C ZINC000155271169 545006842 /nfs/dbraw/zinc/00/68/42/545006842.db2.gz ROVRINNMMPCVMI-WPRPVWTQSA-N 0 3 366.516 2.497 20 30 FEEDHN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000184205904 327856022 /nfs/dbraw/zinc/85/60/22/327856022.db2.gz LGYWYEBQGQKFQP-AWEZNQCLSA-N 0 3 353.875 2.461 20 30 FEEDHN CCc1nnc(C2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)[nH]1 ZINC000190697329 328225254 /nfs/dbraw/zinc/22/52/54/328225254.db2.gz JXIYCCLJDHKOAV-QGZVFWFLSA-N 0 3 364.453 2.224 20 30 FEEDHN COc1cc(CNC(=O)c2ccc(C#N)cc2)ccc1OCCN(C)C ZINC000194855486 328443956 /nfs/dbraw/zinc/44/39/56/328443956.db2.gz UTDKTXCXJMHCCZ-UHFFFAOYSA-N 0 3 353.422 2.437 20 30 FEEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000012900129 324373024 /nfs/dbraw/zinc/37/30/24/324373024.db2.gz NHDJXRCRIOPCQH-KXBFYZLASA-N 0 3 363.421 2.229 20 30 FEEDHN N#Cc1ccc(-c2nnc(CN3CCC(CN4CCOCC4)CC3)o2)cc1 ZINC000075639554 324898112 /nfs/dbraw/zinc/89/81/12/324898112.db2.gz XTXGFAGBLCNXSO-UHFFFAOYSA-N 0 3 367.453 2.152 20 30 FEEDHN Cc1oc(NC(=O)[C@@H](C)N2CCC(CN3CCOCC3)CC2)c(C#N)c1C ZINC000075937855 324910396 /nfs/dbraw/zinc/91/03/96/324910396.db2.gz DWDAEJXIJXFBNC-OAHLLOKOSA-N 0 3 374.485 2.139 20 30 FEEDHN COc1ccc(CNC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1C#N ZINC000089799482 325333923 /nfs/dbraw/zinc/33/39/23/325333923.db2.gz HAFBPDHAWRQVHO-VQTJNVASSA-N 0 3 351.450 2.292 20 30 FEEDHN CC(C)[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N(C)C ZINC000106430123 325598132 /nfs/dbraw/zinc/59/81/32/325598132.db2.gz IWFFWCPAQUBDDH-MRXNPFEDSA-N 0 3 371.441 2.041 20 30 FEEDHN CCC[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCN1CCOC ZINC000121969940 326378830 /nfs/dbraw/zinc/37/88/30/326378830.db2.gz KRIBKPYHHLXWBZ-IBGZPJMESA-N 0 3 358.486 2.320 20 30 FEEDHN N#Cc1cc(F)c(S(=O)(=O)N2CCC(N3CCCC3)CC2)c(F)c1 ZINC000124279406 326450954 /nfs/dbraw/zinc/45/09/54/326450954.db2.gz IWSXQLZOSZTWIA-UHFFFAOYSA-N 0 3 355.410 2.085 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)ccc1Cl ZINC000151616372 326686863 /nfs/dbraw/zinc/68/68/63/326686863.db2.gz NPVBARWGRWJPHS-ZDUSSCGKSA-N 0 3 353.875 2.318 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171908526 327169524 /nfs/dbraw/zinc/16/95/24/327169524.db2.gz OPJMCCSXGHQHNY-LJQANCHMSA-N 0 3 356.470 2.343 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)N3C(C)C)c1C#N ZINC000173277571 327246124 /nfs/dbraw/zinc/24/61/24/327246124.db2.gz WUACQIWPFZXUEB-JKSUJKDBSA-N 0 3 354.454 2.279 20 30 FEEDHN N#Cc1ccccc1CSCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173495656 327261213 /nfs/dbraw/zinc/26/12/13/327261213.db2.gz NRJSDGDVHSBIAF-SFHVURJKSA-N 0 3 356.495 2.447 20 30 FEEDHN C[C@@H](O)CC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000175564342 327399683 /nfs/dbraw/zinc/39/96/83/327399683.db2.gz NDRIOWGDNKFMCI-MRXNPFEDSA-N 0 3 360.502 2.429 20 30 FEEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000269658325 329538026 /nfs/dbraw/zinc/53/80/26/329538026.db2.gz KLHYGMFRQQDUBZ-OAHLLOKOSA-N 0 3 353.875 2.461 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCCC2)c1 ZINC000364813561 330206971 /nfs/dbraw/zinc/20/69/71/330206971.db2.gz AXAJJYXYQDJDRT-GOSISDBHSA-N 0 3 354.454 2.364 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)s1 ZINC000367182244 330227086 /nfs/dbraw/zinc/22/70/86/330227086.db2.gz YEZRODDCIZFWBO-IYBDPMFKSA-N 0 3 373.503 2.372 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCN3CCCC[C@@H]3C)C2)n1 ZINC000377932279 330252973 /nfs/dbraw/zinc/25/29/73/330252973.db2.gz OEKKYTXHUKKCDX-HKUYNNGSSA-N 0 3 369.513 2.469 20 30 FEEDHN CC(C)(C)CNC(=O)C(C)(C)NCCC(=O)Nc1sccc1C#N ZINC000155515974 545535782 /nfs/dbraw/zinc/53/57/82/545535782.db2.gz VOYMFFWEHIUSHF-UHFFFAOYSA-N 0 3 350.488 2.479 20 30 FEEDHN C[C@](CO)(NCCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000156781789 545659316 /nfs/dbraw/zinc/65/93/16/545659316.db2.gz VYEFISNXSLPSPQ-GOSISDBHSA-N 0 3 350.484 2.253 20 30 FEEDHN CN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCCCC1 ZINC000156844779 545669393 /nfs/dbraw/zinc/66/93/93/545669393.db2.gz XDIDPCXYKNAIFP-UHFFFAOYSA-N 0 3 366.443 2.009 20 30 FEEDHN Cc1cccc(S(=O)(=O)NCc2ccccc2OCCN(C)C)c1C#N ZINC000156904813 545674927 /nfs/dbraw/zinc/67/49/27/545674927.db2.gz UXFRSNKMOWBKPO-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000158333225 545849253 /nfs/dbraw/zinc/84/92/53/545849253.db2.gz WEPCVMRGPQUMCF-HKUYNNGSSA-N 0 3 371.481 2.429 20 30 FEEDHN C=CCN(CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000478027859 561158503 /nfs/dbraw/zinc/15/85/03/561158503.db2.gz MPNKWTAIGFDPAP-CQSZACIVSA-N 0 3 368.401 2.016 20 30 FEEDHN CCN1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000159841535 545985094 /nfs/dbraw/zinc/98/50/94/545985094.db2.gz AOINVDFRUZDOLE-QGZVFWFLSA-N 0 3 373.476 2.403 20 30 FEEDHN CC(C)[C@@H](CCO)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000162047244 546136534 /nfs/dbraw/zinc/13/65/34/546136534.db2.gz NRKXZRXHOJUPNY-MRXNPFEDSA-N 0 3 356.388 2.170 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)CC1(C#N)CC1 ZINC000166039069 546155032 /nfs/dbraw/zinc/15/50/32/546155032.db2.gz IYKHRSCMNBZQKQ-HOTGVXAUSA-N 0 3 361.511 2.366 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(NC(=O)c2ccoc2)CC1 ZINC000166345128 546156450 /nfs/dbraw/zinc/15/64/50/546156450.db2.gz DRRPWGIPKMFPOP-UHFFFAOYSA-N 0 3 372.450 2.436 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1 ZINC000171715630 546220695 /nfs/dbraw/zinc/22/06/95/546220695.db2.gz SMJHIQQAKBMPKG-IBGZPJMESA-N 0 3 355.482 2.423 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(CCOc3ccccc3)CC2)CC1 ZINC000171740151 546223666 /nfs/dbraw/zinc/22/36/66/546223666.db2.gz LSIQBXUNPOKCMJ-UHFFFAOYSA-N 0 3 372.513 2.043 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCCC(=O)N2CCc3ccccc32)CC1 ZINC000171907785 546229771 /nfs/dbraw/zinc/22/97/71/546229771.db2.gz NNYJORLCKHACGO-UHFFFAOYSA-N 0 3 370.497 2.306 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)CC1 ZINC000173271648 546277201 /nfs/dbraw/zinc/27/72/01/546277201.db2.gz QDGPALIEMNNTKO-UHFFFAOYSA-N 0 3 372.469 2.108 20 30 FEEDHN C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CN1CCN(C)CC1 ZINC000175792972 546352162 /nfs/dbraw/zinc/35/21/62/546352162.db2.gz ADWGBVAYZGCVFU-QGZVFWFLSA-N 0 3 369.513 2.116 20 30 FEEDHN CS(=O)(=O)N1CCC[C@H](C(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000528914922 562352762 /nfs/dbraw/zinc/35/27/62/562352762.db2.gz RIQQSGNXDDCQIV-RYUDHWBXSA-N 0 3 363.464 2.144 20 30 FEEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)cn1C ZINC000176043459 546395332 /nfs/dbraw/zinc/39/53/32/546395332.db2.gz XEKYAEWHUZZUDX-GOSISDBHSA-N 0 3 351.454 2.418 20 30 FEEDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000480688436 561214409 /nfs/dbraw/zinc/21/44/09/561214409.db2.gz ICZZUUGQCRIKKC-NSHDSACASA-N 0 3 374.304 2.329 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480720827 561215252 /nfs/dbraw/zinc/21/52/52/561215252.db2.gz LBCLCGWWONUEBW-CYBMUJFWSA-N 0 3 353.463 2.189 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1COCCN1C1CCCC1)C(C)C ZINC000480948463 561221026 /nfs/dbraw/zinc/22/10/26/561221026.db2.gz AXNCVMDIWXXOPJ-UXHICEINSA-N 0 3 363.546 2.445 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2OCC)CC1 ZINC000177646756 546659240 /nfs/dbraw/zinc/65/92/40/546659240.db2.gz VTRALFVIVSNAOV-UHFFFAOYSA-N 0 3 365.861 2.444 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@H](O)C2)cc1 ZINC000481020983 561223139 /nfs/dbraw/zinc/22/31/39/561223139.db2.gz VLEWLFZIRABZIU-IPYPFGDCSA-N 0 3 365.455 2.045 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c(F)c1 ZINC000481024527 561223145 /nfs/dbraw/zinc/22/31/45/561223145.db2.gz KYSMHZXDWYZVHU-MRXNPFEDSA-N 0 3 351.447 2.087 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000178373837 546783177 /nfs/dbraw/zinc/78/31/77/546783177.db2.gz WQZVSURUZFZBKK-UHFFFAOYSA-N 0 3 363.483 2.178 20 30 FEEDHN CNS(=O)(=O)c1ccc([C@@H](C)NCCOc2cccc(C#N)c2)cc1 ZINC000181052689 547239726 /nfs/dbraw/zinc/23/97/26/547239726.db2.gz HZBUXUNAVRGXJW-CQSZACIVSA-N 0 3 359.451 2.196 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(CCO)CCC2)cc1 ZINC000483547590 561279407 /nfs/dbraw/zinc/27/94/07/561279407.db2.gz IPJLHIDGRIBFKJ-ZDUSSCGKSA-N 0 3 365.455 2.047 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H](C4OCCO4)C3)C2=O)cc1 ZINC000182742735 547545597 /nfs/dbraw/zinc/54/55/97/547545597.db2.gz USZUPTUWCNGAQH-FUHWJXTLSA-N 0 3 355.438 2.139 20 30 FEEDHN C=CC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000182776453 547551066 /nfs/dbraw/zinc/55/10/66/547551066.db2.gz SRVCENKGCQTUGU-FQEVSTJZSA-N 0 3 370.472 2.433 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000183402751 547652012 /nfs/dbraw/zinc/65/20/12/547652012.db2.gz CEHWCPSUTSTLKD-SFTDATJTSA-N 0 3 368.525 2.290 20 30 FEEDHN N#CCOc1ccccc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183419033 547655720 /nfs/dbraw/zinc/65/57/20/547655720.db2.gz SXXRKRXXNGHKMF-GOSISDBHSA-N 0 3 365.433 2.086 20 30 FEEDHN C[C@H](NCC(=O)N(CCC#N)CCC#N)c1cccc(-n2cccn2)c1 ZINC000183606182 547688664 /nfs/dbraw/zinc/68/86/64/547688664.db2.gz GJUIQIHNRCQRTR-INIZCTEOSA-N 0 3 350.426 2.179 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c(Cl)c1 ZINC000183712818 547705666 /nfs/dbraw/zinc/70/56/66/547705666.db2.gz ADLRYWUOOHSJHD-CQSZACIVSA-N 0 3 353.875 2.318 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c(Cl)c1 ZINC000183712839 547705714 /nfs/dbraw/zinc/70/57/14/547705714.db2.gz ADLRYWUOOHSJHD-AWEZNQCLSA-N 0 3 353.875 2.318 20 30 FEEDHN CC(C)(C)OC(=O)NC[C@H](NCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000185222005 547954386 /nfs/dbraw/zinc/95/43/86/547954386.db2.gz KDTSZPQKSCMPKN-INIZCTEOSA-N 0 3 358.442 2.390 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000185494069 547992150 /nfs/dbraw/zinc/99/21/50/547992150.db2.gz TWCCUFHTLAGEBE-CQSZACIVSA-N 0 3 365.499 2.356 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3)c2COC)CC1 ZINC000186287379 548113018 /nfs/dbraw/zinc/11/30/18/548113018.db2.gz ILYPWQIDYAJAOD-UHFFFAOYSA-N 0 3 354.454 2.399 20 30 FEEDHN CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(CCCCC#N)C2)C(=O)C1 ZINC000186475259 548140998 /nfs/dbraw/zinc/14/09/98/548140998.db2.gz PKBUYRKBIBRXEJ-INIZCTEOSA-N 0 3 364.490 2.224 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000189930827 548314274 /nfs/dbraw/zinc/31/42/74/548314274.db2.gz DZGPMEIRUJESSU-IBGZPJMESA-N 0 3 367.493 2.179 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000190026814 548316757 /nfs/dbraw/zinc/31/67/57/548316757.db2.gz DDHYHZDEEXVBPR-HOTGVXAUSA-N 0 3 370.453 2.003 20 30 FEEDHN C=CCN(CCOC)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190836652 548334894 /nfs/dbraw/zinc/33/48/94/548334894.db2.gz PLRFDSAQNBAKAM-IBGZPJMESA-N 0 3 361.486 2.122 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000193789794 548396750 /nfs/dbraw/zinc/39/67/50/548396750.db2.gz JNVGSXAPVGFABO-UHFFFAOYSA-N 0 3 370.497 2.276 20 30 FEEDHN N#Cc1c(F)cccc1N1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000194210113 548450684 /nfs/dbraw/zinc/45/06/84/548450684.db2.gz DRHSRTMNSWDATE-UHFFFAOYSA-N 0 3 356.445 2.220 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)c3ccc(C#N)s3)cc2)CC1 ZINC000486787622 561356483 /nfs/dbraw/zinc/35/64/83/561356483.db2.gz LNGLSURPOIDDFT-UHFFFAOYSA-N 0 3 354.479 2.297 20 30 FEEDHN CN(C)CCOCCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487885648 561377949 /nfs/dbraw/zinc/37/79/49/561377949.db2.gz VCPDGFJTXBEEHO-UHFFFAOYSA-N 0 3 355.236 2.020 20 30 FEEDHN N#Cc1ccc(NC(=O)NCCNc2ccncc2)cc1Br ZINC000487933258 561379180 /nfs/dbraw/zinc/37/91/80/561379180.db2.gz IIBXJXPIPOJFFP-UHFFFAOYSA-N 0 3 360.215 2.371 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000245728354 548984025 /nfs/dbraw/zinc/98/40/25/548984025.db2.gz JBPCNYVDLRBOIT-IAGOWNOFSA-N 0 3 367.453 2.173 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000245986446 549031350 /nfs/dbraw/zinc/03/13/50/549031350.db2.gz KHNQISBEWZDOAX-MJBXVCDLSA-N 0 3 360.433 2.118 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000488708918 561394868 /nfs/dbraw/zinc/39/48/68/561394868.db2.gz ACKNWRZPFFJRIM-NQIIRXRSSA-N 0 3 374.525 2.340 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000246625260 549178038 /nfs/dbraw/zinc/17/80/38/549178038.db2.gz NPPCDYAULFLIFR-PZJWPPBQSA-N 0 3 374.525 2.199 20 30 FEEDHN C=CCn1cccc1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000488979346 561400766 /nfs/dbraw/zinc/40/07/66/561400766.db2.gz IHXWZRALNSBTDL-UHFFFAOYSA-N 0 3 353.470 2.011 20 30 FEEDHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1[C@H](C)CC[C@@H]1C ZINC000248988359 549536528 /nfs/dbraw/zinc/53/65/28/549536528.db2.gz GSYFQKHWYPMIJD-RCJHGTSTSA-N 0 3 368.481 2.037 20 30 FEEDHN C[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000249396055 549587855 /nfs/dbraw/zinc/58/78/55/549587855.db2.gz SWCFNCQDXMKXKF-IAOVAPTHSA-N 0 3 360.433 2.095 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)CC1 ZINC000264370142 549995421 /nfs/dbraw/zinc/99/54/21/549995421.db2.gz JJFNUNXPIOJKFP-AEFFLSMTSA-N 0 3 355.482 2.363 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Cc2nnn(-c3ccccc3)c2C)CC1 ZINC000264482986 549996585 /nfs/dbraw/zinc/99/65/85/549996585.db2.gz LVXFGLAZNAAQCB-UHFFFAOYSA-N 0 3 353.470 2.275 20 30 FEEDHN C#CCNC(=O)c1ccc(NC[C@H](c2cccc(OC)c2)N(C)C)nc1 ZINC000264908738 550003629 /nfs/dbraw/zinc/00/36/29/550003629.db2.gz SVHKMWFZRFBLNU-GOSISDBHSA-N 0 3 352.438 2.168 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000266356711 550019198 /nfs/dbraw/zinc/01/91/98/550019198.db2.gz DFRWYQMHXBRUOC-AWEZNQCLSA-N 0 3 368.437 2.268 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H]2CCC[C@]2(C)CO)cc1 ZINC000493650086 561457283 /nfs/dbraw/zinc/45/72/83/561457283.db2.gz AYXGGEDUJNBTGU-AZUAARDMSA-N 0 3 359.470 2.473 20 30 FEEDHN C=CCCOCCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000270430927 550271761 /nfs/dbraw/zinc/27/17/61/550271761.db2.gz IAGHLSNRZHDGKR-UHFFFAOYSA-N 0 3 360.502 2.323 20 30 FEEDHN N#Cc1ccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000270572748 550285068 /nfs/dbraw/zinc/28/50/68/550285068.db2.gz BUPDJVMQBKEWNS-RTWAWAEBSA-N 0 3 363.461 2.100 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN(C)CCc2cnccn2)c(OC)c1 ZINC000271345256 550367236 /nfs/dbraw/zinc/36/72/36/550367236.db2.gz NSXXJHMWOKPOOG-GOSISDBHSA-N 0 3 357.454 2.128 20 30 FEEDHN C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(OCC#N)cc1 ZINC000271850790 550405713 /nfs/dbraw/zinc/40/57/13/550405713.db2.gz RKKSLZFPPNIMQH-HOCLYGCPSA-N 0 3 370.405 2.408 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@H]2C1 ZINC000272455887 550450030 /nfs/dbraw/zinc/45/00/30/550450030.db2.gz JYMAXLAEAXAMSJ-HKUYNNGSSA-N 0 3 368.481 2.266 20 30 FEEDHN COc1cc(/C=C/C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)ccc1OCC#N ZINC000272578287 550458906 /nfs/dbraw/zinc/45/89/06/550458906.db2.gz WAHMMYQRICCEHN-JSYWMUGDSA-N 0 3 355.438 2.163 20 30 FEEDHN COc1cc(/C=C/C(=O)N[C@H](C)C2=CCN(C)CC2)ccc1OCC#N ZINC000272657940 550463515 /nfs/dbraw/zinc/46/35/15/550463515.db2.gz GHYPSRRDNSIMMC-KEDPEKRHSA-N 0 3 355.438 2.377 20 30 FEEDHN CN(C)CCc1ccccc1NC(=O)C(=O)N(CCC#N)Cc1ccco1 ZINC000275516579 550572525 /nfs/dbraw/zinc/57/25/25/550572525.db2.gz IRLOKVQXLPYGJW-UHFFFAOYSA-N 0 3 368.437 2.265 20 30 FEEDHN CC[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000278367426 550778024 /nfs/dbraw/zinc/77/80/24/550778024.db2.gz BWVHSCWTJHQWGQ-HZPDHXFCSA-N 0 3 364.492 2.495 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)CC1 ZINC000278470154 550789955 /nfs/dbraw/zinc/78/99/55/550789955.db2.gz ZEDNYVAJWRMHHZ-AWEZNQCLSA-N 0 3 359.396 2.363 20 30 FEEDHN C#CCOc1ccccc1CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278532182 550796150 /nfs/dbraw/zinc/79/61/50/550796150.db2.gz ZYLUNHPXMJSLSM-QGZVFWFLSA-N 0 3 371.481 2.093 20 30 FEEDHN CCOC(=O)N1CC[C@@H](NCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278729125 550815815 /nfs/dbraw/zinc/81/58/15/550815815.db2.gz UJKLVUJWALOALM-QGZVFWFLSA-N 0 3 368.441 2.179 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccc3c(c2)OCO3)cc1 ZINC000279220553 550866357 /nfs/dbraw/zinc/86/63/57/550866357.db2.gz CVFFGSSIWQGBPU-MRXNPFEDSA-N 0 3 363.373 2.164 20 30 FEEDHN CCCNC(=O)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279808914 550931339 /nfs/dbraw/zinc/93/13/39/550931339.db2.gz XBWBRZUVDXGYTG-SFHVURJKSA-N 0 3 352.438 2.005 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CN1c2ccccc2OCC1=O)C(C)C ZINC000495917467 561491432 /nfs/dbraw/zinc/49/14/32/561491432.db2.gz MVMIFMPIBZLHRT-SFHVURJKSA-N 0 3 371.481 2.227 20 30 FEEDHN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280584957 551010084 /nfs/dbraw/zinc/01/00/84/551010084.db2.gz WHOKMJIDUQQKNK-KURKYZTESA-N 0 3 352.438 2.004 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000280619725 551014045 /nfs/dbraw/zinc/01/40/45/551014045.db2.gz RKNFMSHLZGSUCQ-UHFFFAOYSA-N 0 3 366.465 2.397 20 30 FEEDHN COC(=O)[C@H]1CC12CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000280899858 551043806 /nfs/dbraw/zinc/04/38/06/551043806.db2.gz MUGNQPPNFSGLBH-DLBZAZTESA-N 0 3 351.406 2.042 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H](C)C3CCN(C)CC3)CC2)o1 ZINC000281067219 551059791 /nfs/dbraw/zinc/05/97/91/551059791.db2.gz DAKJAIXMUMPRTR-CQSZACIVSA-N 0 3 373.501 2.260 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1OCCN(C)C ZINC000281973181 551164456 /nfs/dbraw/zinc/16/44/56/551164456.db2.gz ZJHXPGCYCHMYHY-MJGOQNOKSA-N 0 3 361.486 2.407 20 30 FEEDHN C=CCn1c(-c2cccn2C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000282445635 551230306 /nfs/dbraw/zinc/23/03/06/551230306.db2.gz ZVLOUQWTRHJGHU-UHFFFAOYSA-N 0 3 370.501 2.018 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000282685076 551259667 /nfs/dbraw/zinc/25/96/67/551259667.db2.gz AHVUKAHJOSJAHS-IRXDYDNUSA-N 0 3 351.468 2.359 20 30 FEEDHN CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 ZINC000283085556 551309253 /nfs/dbraw/zinc/30/92/53/551309253.db2.gz HXSGBFWREALHDL-UHFFFAOYSA-N 0 3 354.458 2.044 20 30 FEEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000283675184 551407425 /nfs/dbraw/zinc/40/74/25/551407425.db2.gz ZXSVFHLSFDRSMU-SFHVURJKSA-N 0 3 370.501 2.463 20 30 FEEDHN CN1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 ZINC000283992914 551464138 /nfs/dbraw/zinc/46/41/38/551464138.db2.gz DECKJOXSNPWHJV-RTWAWAEBSA-N 0 3 365.477 2.157 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](CC)c2ccccc2OCC)CC1 ZINC000283999971 551465063 /nfs/dbraw/zinc/46/50/63/551465063.db2.gz HUTTYWPYBSSWOV-SFHVURJKSA-N 0 3 373.497 2.419 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)c2c(F)cccc2F)CC1 ZINC000284021666 551469801 /nfs/dbraw/zinc/46/98/01/551469801.db2.gz OGZCWWQVPIBEHL-ZDUSSCGKSA-N 0 3 365.424 2.299 20 30 FEEDHN C=CCCO[C@H](C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000498119891 561516427 /nfs/dbraw/zinc/51/64/27/561516427.db2.gz UNXNJMHUZZJFCB-QUCCMNQESA-N 0 3 359.514 2.463 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@H](c2ccccc2)C(C)C)CC1 ZINC000284369053 551534504 /nfs/dbraw/zinc/53/45/04/551534504.db2.gz XIFQABICGHWMPE-IBGZPJMESA-N 0 3 357.498 2.309 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000285370812 551745395 /nfs/dbraw/zinc/74/53/95/551745395.db2.gz KECWOWGAHHHMSL-OAHLLOKOSA-N 0 3 362.495 2.003 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000286103585 551849062 /nfs/dbraw/zinc/84/90/62/551849062.db2.gz OULPWZFTIAVKJD-UHFFFAOYSA-N 0 3 358.461 2.466 20 30 FEEDHN C[C@](C#N)(NC(=O)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)C1CC1 ZINC000286189083 551858997 /nfs/dbraw/zinc/85/89/97/551858997.db2.gz XLCAFJCSVRAORF-WERVVEIQSA-N 0 3 353.466 2.299 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286246614 551865381 /nfs/dbraw/zinc/86/53/81/551865381.db2.gz MJSQLLWQEJTFRL-HFTRVMKXSA-N 0 3 358.461 2.322 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(CCC)CCc2cccs2)CC1 ZINC000286357273 551878376 /nfs/dbraw/zinc/87/83/76/551878376.db2.gz BTSJBEVSPCSALA-UHFFFAOYSA-N 0 3 363.527 2.296 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](c3ccccc3C)C2)CC1 ZINC000286420275 551884469 /nfs/dbraw/zinc/88/44/69/551884469.db2.gz FVKXYLDRGYFZRE-KRWDZBQOSA-N 0 3 355.482 2.078 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)CC1 ZINC000286422462 551884532 /nfs/dbraw/zinc/88/45/32/551884532.db2.gz FWZJCZCMZBGQLU-SJLPKXTDSA-N 0 3 355.482 2.158 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(OCCC)cc2C)CC1 ZINC000286505416 551893981 /nfs/dbraw/zinc/89/39/81/551893981.db2.gz KPJUSGNKLWXVJF-UHFFFAOYSA-N 0 3 373.497 2.167 20 30 FEEDHN COC(=O)[C@]1(C(F)(F)F)CCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000286525436 551896051 /nfs/dbraw/zinc/89/60/51/551896051.db2.gz NKIFGIIPMWLOKV-INIZCTEOSA-N 0 3 369.343 2.314 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)CC1 ZINC000286719904 551918471 /nfs/dbraw/zinc/91/84/71/551918471.db2.gz QWVIPLXPETZSLT-KRWDZBQOSA-N 0 3 357.498 2.405 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)CC1 ZINC000286824996 551930037 /nfs/dbraw/zinc/93/00/37/551930037.db2.gz WSSLQJYFJOBNRO-RDJZCZTQSA-N 0 3 359.470 2.346 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCOC(C)(C)C2)cc1 ZINC000287041929 551955323 /nfs/dbraw/zinc/95/53/23/551955323.db2.gz GHVFAFOUSCEWDP-JSGCOSHPSA-N 0 3 365.455 2.451 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCCO2)cc1 ZINC000287117234 551965716 /nfs/dbraw/zinc/96/57/16/551965716.db2.gz KLSPWXIBAMJBJR-ZFWWWQNUSA-N 0 3 365.455 2.405 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)C(C)(C)O)cc1 ZINC000287325899 551989593 /nfs/dbraw/zinc/98/95/93/551989593.db2.gz OKQGESQEPGMVIL-NSHDSACASA-N 0 3 353.444 2.043 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCC(C)(C)CO)cc1 ZINC000287378417 551996464 /nfs/dbraw/zinc/99/64/64/551996464.db2.gz RKHMKMXLXPNLMY-CYBMUJFWSA-N 0 3 367.471 2.293 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C)CCOCC2)cc1 ZINC000287466185 552007954 /nfs/dbraw/zinc/00/79/54/552007954.db2.gz XXPAJLFWZJBFAA-ZDUSSCGKSA-N 0 3 365.455 2.311 20 30 FEEDHN CN(CCCN1CCN(C)CC1)Cc1ccc(Br)cc1C#N ZINC000287554954 552018743 /nfs/dbraw/zinc/01/87/43/552018743.db2.gz AULYRXNOTPWDCU-UHFFFAOYSA-N 0 3 365.319 2.390 20 30 FEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000499694874 561556287 /nfs/dbraw/zinc/55/62/87/561556287.db2.gz WOPAVBZNCSFFAT-KRWDZBQOSA-N 0 3 370.563 2.349 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288327085 552134046 /nfs/dbraw/zinc/13/40/46/552134046.db2.gz XXYYXWDAGHHRCW-LRDDRELGSA-N 0 3 360.845 2.235 20 30 FEEDHN C#CCC(CC#C)C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000288629427 552187981 /nfs/dbraw/zinc/18/79/81/552187981.db2.gz QTNYMZRNNPNEKT-UHFFFAOYSA-N 0 3 352.478 2.483 20 30 FEEDHN C=CCn1c(-c2ccccc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000289562900 552341419 /nfs/dbraw/zinc/34/14/19/552341419.db2.gz GEFNWGVAKREEPG-IBGZPJMESA-N 0 3 366.513 2.347 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000290318988 552459484 /nfs/dbraw/zinc/45/94/84/552459484.db2.gz VKBALQCPFVFVDI-ZDUSSCGKSA-N 0 3 360.433 2.263 20 30 FEEDHN CN(C)Cc1cccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)c1 ZINC000500819561 561583444 /nfs/dbraw/zinc/58/34/44/561583444.db2.gz BEMSGVSMHPUMEJ-UHFFFAOYSA-N 0 3 361.442 2.379 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2noc(COC(C)C)n2)CC1 ZINC000290869716 552552815 /nfs/dbraw/zinc/55/28/15/552552815.db2.gz RJXGKBYEOPCRPJ-CQSZACIVSA-N 0 3 365.478 2.395 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ncsc2NC(=O)OCC)CC1 ZINC000291398496 552621273 /nfs/dbraw/zinc/62/12/73/552621273.db2.gz BAVIBPDQFATERS-UHFFFAOYSA-N 0 3 352.460 2.482 20 30 FEEDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)C1 ZINC000291622348 552644597 /nfs/dbraw/zinc/64/45/97/552644597.db2.gz CKNVLFTZPGIEHG-OAHLLOKOSA-N 0 3 373.400 2.293 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCc1nnc(C)s1)C(C)C ZINC000292094843 552693304 /nfs/dbraw/zinc/69/33/04/552693304.db2.gz VBZCMEMLXIUIQO-OAHLLOKOSA-N 0 3 351.520 2.387 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(CCC(=O)N3CCc4ccccc43)C2)nc1 ZINC000292292592 552712944 /nfs/dbraw/zinc/71/29/44/552712944.db2.gz UIWYTEMPGJNYCM-GOSISDBHSA-N 0 3 362.433 2.386 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@@H]3CCCCN3C3CC3)C2)nc1 ZINC000292699927 552750619 /nfs/dbraw/zinc/75/06/19/552750619.db2.gz QOWUHHMDTPLMME-ROUUACIJSA-N 0 3 369.469 2.133 20 30 FEEDHN C=CCCCS(=O)(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000293215063 552800054 /nfs/dbraw/zinc/80/00/54/552800054.db2.gz FGPOHVJJZCLBOG-UHFFFAOYSA-N 0 3 352.500 2.029 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000293281531 552806722 /nfs/dbraw/zinc/80/67/22/552806722.db2.gz GDEUZQMZVQAHEF-UHFFFAOYSA-N 0 3 364.449 2.067 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1c(F)cccc1I ZINC000293977270 552872463 /nfs/dbraw/zinc/87/24/63/552872463.db2.gz MPSKLYLHFKQCCX-UHFFFAOYSA-N 0 3 374.197 2.115 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000294075478 552879937 /nfs/dbraw/zinc/87/99/37/552879937.db2.gz WEYFVSPLLLPCJX-INIZCTEOSA-N 0 3 371.510 2.040 20 30 FEEDHN CC(C)N1CCC(N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000294414308 552904204 /nfs/dbraw/zinc/90/42/04/552904204.db2.gz NYPKDCWTFLTXCU-UHFFFAOYSA-N 0 3 353.463 2.332 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1N(C)C ZINC000295131612 552961822 /nfs/dbraw/zinc/96/18/22/552961822.db2.gz YDRZEVYVKISUQP-UONOGXRCSA-N 0 3 368.300 2.438 20 30 FEEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295210476 552970317 /nfs/dbraw/zinc/97/03/17/552970317.db2.gz MCIOGMYSPSWOJD-HNNXBMFYSA-N 0 3 372.494 2.335 20 30 FEEDHN N#Cc1ccc(CNC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)s1 ZINC000502060388 561611194 /nfs/dbraw/zinc/61/11/94/561611194.db2.gz IAOKGMHOWXRJGP-DLBZAZTESA-N 0 3 366.490 2.308 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cc(OC)ccc1OC(F)F ZINC000296258159 553130614 /nfs/dbraw/zinc/13/06/14/553130614.db2.gz BVLJCNVDUYQPKX-UHFFFAOYSA-N 0 3 355.385 2.051 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2nnc(C3CCOCC3)s2)CC1 ZINC000296774435 553209882 /nfs/dbraw/zinc/20/98/82/553209882.db2.gz DYCHRWNFSRSXSY-UHFFFAOYSA-N 0 3 351.476 2.204 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000502834263 561626884 /nfs/dbraw/zinc/62/68/84/561626884.db2.gz RFLZGEXKQSIRBM-KFWWJZLASA-N 0 3 374.510 2.381 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000296958400 553234979 /nfs/dbraw/zinc/23/49/79/553234979.db2.gz QSLIASCZCKEZOM-AWEZNQCLSA-N 0 3 371.407 2.204 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000297081586 553250612 /nfs/dbraw/zinc/25/06/12/553250612.db2.gz ZIAMJIJXSILXTJ-UHFFFAOYSA-N 0 3 358.486 2.147 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 ZINC000298119665 553386696 /nfs/dbraw/zinc/38/66/96/553386696.db2.gz MURPOZCEDKDSNC-UHFFFAOYSA-N 0 3 367.453 2.172 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503525927 561643737 /nfs/dbraw/zinc/64/37/37/561643737.db2.gz LOUMXGXFVLEQBV-MOPGFXCFSA-N 0 3 354.454 2.370 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000298928286 553490851 /nfs/dbraw/zinc/49/08/51/553490851.db2.gz DGBFCFVLUHASGS-UHFFFAOYSA-N 0 3 357.498 2.044 20 30 FEEDHN CN(C)CCN1CCC(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301375523 553646929 /nfs/dbraw/zinc/64/69/29/553646929.db2.gz XHIKQFZRPCPBHN-UHFFFAOYSA-N 0 3 368.441 2.453 20 30 FEEDHN CC(C(=O)N[C@@H](C#N)c1ccccc1Cl)S(=O)(=O)C1CCOCC1 ZINC000505642033 561676119 /nfs/dbraw/zinc/67/61/19/561676119.db2.gz YBDHTRINBDQJFM-NHYWBVRUSA-N 0 3 370.858 2.003 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)C1 ZINC000328920797 553845016 /nfs/dbraw/zinc/84/50/16/553845016.db2.gz BYSZDKXLNYNUEX-SUMDDJOVSA-N 0 3 359.470 2.243 20 30 FEEDHN Cn1nccc1[C@H]1[C@H](NCc2cc(C#N)cs2)CCC(=O)N1C1CC1 ZINC000328953871 553852260 /nfs/dbraw/zinc/85/22/60/553852260.db2.gz MPKZOZGVOCKAQP-CRAIPNDOSA-N 0 3 355.467 2.338 20 30 FEEDHN C[C@H](CC(=O)N1CCO[C@@H]2CCN(C)C[C@H]21)NC(=O)C1CCCCC1 ZINC000328973070 553856065 /nfs/dbraw/zinc/85/60/65/553856065.db2.gz PGDFHBKMKLEXTD-DJIMGWMZSA-N 0 3 351.491 2.233 20 30 FEEDHN Cn1nccc1[C@@H]1[C@H](C(=O)NCC2=CCN(C)CC2)CCC(=O)N1C1CC1 ZINC000328966374 553855264 /nfs/dbraw/zinc/85/52/64/553855264.db2.gz MVSMXTKBMMPWNE-APWZRJJASA-N 0 3 371.485 2.081 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000328979837 553857906 /nfs/dbraw/zinc/85/79/06/553857906.db2.gz DCBUCPGRUXUVRK-QGPMSJSTSA-N 0 3 359.474 2.055 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000328990611 553860366 /nfs/dbraw/zinc/86/03/66/553860366.db2.gz FKOKJCYQJJLPED-OBVSXPTNSA-N 0 3 353.507 2.145 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000328990609 553860478 /nfs/dbraw/zinc/86/04/78/553860478.db2.gz FKOKJCYQJJLPED-HSFUPAIVSA-N 0 3 353.507 2.145 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)CN1C1CC1 ZINC000329001495 553862265 /nfs/dbraw/zinc/86/22/65/553862265.db2.gz XOCMYGOKMKSNBK-UOSKARGWSA-N 0 3 371.481 2.384 20 30 FEEDHN Cc1csc([C@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)CCO2)n1 ZINC000329022345 553866550 /nfs/dbraw/zinc/86/65/50/553866550.db2.gz TZVSPLIGUMINPR-MRXNPFEDSA-N 0 3 364.515 2.408 20 30 FEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329030258 553867820 /nfs/dbraw/zinc/86/78/20/553867820.db2.gz WWJZVIMRVYFCNA-NOAAKOMESA-N 0 3 373.501 2.444 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000329049177 553871550 /nfs/dbraw/zinc/87/15/50/553871550.db2.gz VXZFCIQNTMSYMS-HZPDHXFCSA-N 0 3 373.453 2.461 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H]1N(C)C ZINC000329098378 553879903 /nfs/dbraw/zinc/87/99/03/553879903.db2.gz YSRNCSPUDOMJAZ-ZIAGYGMSSA-N 0 3 366.462 2.209 20 30 FEEDHN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000329166202 553893365 /nfs/dbraw/zinc/89/33/65/553893365.db2.gz HTMKGRIFMZYZND-XYPHTWIQSA-N 0 3 363.506 2.053 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)[C@@H]2C1 ZINC000329172283 553895089 /nfs/dbraw/zinc/89/50/89/553895089.db2.gz AFSJWWAVOFEITA-JTDSTZFVSA-N 0 3 356.445 2.076 20 30 FEEDHN CC(C)N1CCCN(C(=O)N[C@H](c2nccn2C)C2CCOCC2)CC1 ZINC000329336621 553927568 /nfs/dbraw/zinc/92/75/68/553927568.db2.gz LWORZLRRPMXUQQ-KRWDZBQOSA-N 0 3 363.506 2.218 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000506558907 561702050 /nfs/dbraw/zinc/70/20/50/561702050.db2.gz BCKGLFKQZZRGIZ-MSOLQXFVSA-N 0 3 359.466 2.430 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000329510342 553960235 /nfs/dbraw/zinc/96/02/35/553960235.db2.gz KAKKQHJKHOGOPI-BHIYHBOVSA-N 0 3 359.470 2.416 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](C)N3CCC[C@@H](C)C3)C2)nn1 ZINC000329699578 553991185 /nfs/dbraw/zinc/99/11/85/553991185.db2.gz ZDPYURHHQWQSPT-NJAFHUGGSA-N 0 3 374.533 2.378 20 30 FEEDHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCC3(CCOCC3)[C@@H]2C)C1 ZINC000329697385 553991419 /nfs/dbraw/zinc/99/14/19/553991419.db2.gz YHDZVHRAKCTWSL-ZWKOTPCHSA-N 0 3 367.534 2.191 20 30 FEEDHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CCO1 ZINC000329721908 553995502 /nfs/dbraw/zinc/99/55/02/553995502.db2.gz FDRRUFDERBVTQA-IEBWSBKVSA-N 0 3 373.497 2.257 20 30 FEEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329727842 553996258 /nfs/dbraw/zinc/99/62/58/553996258.db2.gz GZJZJANEPMDBRV-KFWWJZLASA-N 0 3 352.442 2.235 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H]3CCN(C)[C@@H](C)C3)C2)nn1 ZINC000329779589 554004843 /nfs/dbraw/zinc/00/48/43/554004843.db2.gz RCPRWYHGJRJDOU-YESZJQIVSA-N 0 3 360.506 2.082 20 30 FEEDHN Cc1nc(C)c(NC(=O)N2CCC(CN3CCN(C)CC3)CC2)s1 ZINC000329799640 554008167 /nfs/dbraw/zinc/00/81/67/554008167.db2.gz IFUCNLWHNUKRFQ-UHFFFAOYSA-N 0 3 351.520 2.265 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000329894447 554026605 /nfs/dbraw/zinc/02/66/05/554026605.db2.gz BIQFPNNCMUHIQT-QZTJIDSGSA-N 0 3 358.486 2.021 20 30 FEEDHN CC(C)n1ncc2c1C[C@H](NC([O-])=[NH+]C[C@@H]1CCc3nccn3C1)CC2 ZINC000329922779 554032211 /nfs/dbraw/zinc/03/22/11/554032211.db2.gz UDHPMFJPUUICAB-GOEBONIOSA-N 0 3 356.474 2.284 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000329941532 554036228 /nfs/dbraw/zinc/03/62/28/554036228.db2.gz CFFHCWILWDQMAC-JTDSTZFVSA-N 0 3 353.507 2.291 20 30 FEEDHN CN(C)c1ncn(-c2cccc(NC(=O)N(C)C[C@@H]3CCCN(C)C3)c2)n1 ZINC000330004039 554047973 /nfs/dbraw/zinc/04/79/73/554047973.db2.gz CFTUFZSZBQDVLS-OAHLLOKOSA-N 0 3 371.489 2.152 20 30 FEEDHN CC(C(=O)NCc1nc2ccccc2[nH]1)S(=O)(=O)C1CCOCC1 ZINC000330076003 554060156 /nfs/dbraw/zinc/06/01/56/554060156.db2.gz MDPNOIIRJUZQGX-NSHDSACASA-N 0 3 351.428 2.002 20 30 FEEDHN CC(=O)N1CCc2cc(NC(=O)NC[C@]3(N(C)C)CCSC3)ccc21 ZINC000330088497 554062153 /nfs/dbraw/zinc/06/21/53/554062153.db2.gz UTNKYQWOGNAGFT-GOSISDBHSA-N 0 3 362.499 2.359 20 30 FEEDHN Cc1ccn2cc(CNC(=O)C(C)S(=O)(=O)C3CCOCC3)nc2c1 ZINC000330126654 554069430 /nfs/dbraw/zinc/06/94/30/554069430.db2.gz CZIQUPTUQCPSQT-CYBMUJFWSA-N 0 3 365.455 2.082 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000330178214 554078923 /nfs/dbraw/zinc/07/89/23/554078923.db2.gz DLMHMRJSLNAJPS-LPHOPBHVSA-N 0 3 373.497 2.132 20 30 FEEDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](N2CCCC2)CC1 ZINC000330255121 554093922 /nfs/dbraw/zinc/09/39/22/554093922.db2.gz JTSJYKCWDUBQQH-BRWVUGGUSA-N 0 3 371.547 2.207 20 30 FEEDHN Cc1ccn2cc(CNC(=O)N3CCN(C4CCOCC4)C[C@@H]3C)nc2c1 ZINC000330269945 554096642 /nfs/dbraw/zinc/09/66/42/554096642.db2.gz SQBQUDFHMFOSOZ-INIZCTEOSA-N 0 3 371.485 2.242 20 30 FEEDHN CC[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)C1CCOCC1 ZINC000330271558 554096930 /nfs/dbraw/zinc/09/69/30/554096930.db2.gz WCLVECOAPFNDOM-CRAIPNDOSA-N 0 3 353.507 2.291 20 30 FEEDHN C[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1)N1CCC(C)CC1 ZINC000330322016 554105066 /nfs/dbraw/zinc/10/50/66/554105066.db2.gz GMNZTNKSYFYMFL-JFIYKMOQSA-N 0 3 363.506 2.264 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000330325416 554105433 /nfs/dbraw/zinc/10/54/33/554105433.db2.gz UPLINMHSFSGCKD-KYJSFNMBSA-N 0 3 351.491 2.043 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(C)(C)O)cc1 ZINC000331175560 554226011 /nfs/dbraw/zinc/22/60/11/554226011.db2.gz KZFWAQKZAZHFDM-SWLSCSKDSA-N 0 3 365.455 2.140 20 30 FEEDHN C=CCn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000508707997 561770198 /nfs/dbraw/zinc/77/01/98/561770198.db2.gz ZFIHRIQZAUUKLA-QGZVFWFLSA-N 0 3 372.517 2.407 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000331290632 554242430 /nfs/dbraw/zinc/24/24/30/554242430.db2.gz KFQRQACNMGLNDH-KGLIPLIRSA-N 0 3 353.463 2.237 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000331406836 554259093 /nfs/dbraw/zinc/25/90/93/554259093.db2.gz UIVKRYTYWOTKFS-RTBURBONSA-N 0 3 364.449 2.102 20 30 FEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000331484394 554272618 /nfs/dbraw/zinc/27/26/18/554272618.db2.gz GNYAZJKWWAZIBN-QWFCFKBJSA-N 0 3 353.422 2.037 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C[C@@H]1N1CCCC1 ZINC000331543534 554282891 /nfs/dbraw/zinc/28/28/91/554282891.db2.gz IFGRIUZATLCPQT-JCGIZDLHSA-N 0 3 359.495 2.364 20 30 FEEDHN CCN(CC)[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)Cc1ccccc1 ZINC000509420932 561798863 /nfs/dbraw/zinc/79/88/63/561798863.db2.gz YSURTONXBIHKAG-FUHWJXTLSA-N 0 3 366.531 2.008 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)ccc1C(F)(F)F ZINC000332322174 554425189 /nfs/dbraw/zinc/42/51/89/554425189.db2.gz ZUFBUWNETWDOTJ-LSDHHAIUSA-N 0 3 373.400 2.482 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000333056408 554565771 /nfs/dbraw/zinc/56/57/71/554565771.db2.gz CMTZQBABXFQSRQ-RWQQGDIJSA-N 0 3 365.518 2.251 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000334005381 554667430 /nfs/dbraw/zinc/66/74/30/554667430.db2.gz UUWOTYVHAXGNOI-CVEARBPZSA-N 0 3 350.507 2.116 20 30 FEEDHN Cc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OCCN(C)C)c1 ZINC000362915861 554998871 /nfs/dbraw/zinc/99/88/71/554998871.db2.gz HWTFODQZJULGLV-QGZVFWFLSA-N 0 3 371.485 2.140 20 30 FEEDHN CCc1nc(CN2CCC[C@@H](N(C)CCOc3cccc(C#N)c3)C2)no1 ZINC000363077241 555025394 /nfs/dbraw/zinc/02/53/94/555025394.db2.gz KLTUETFDJWLTEU-QGZVFWFLSA-N 0 3 369.469 2.479 20 30 FEEDHN N#Cc1ccc2ncc(CN[C@@H]3CCCN(c4ccccc4C(N)=O)C3)n2c1 ZINC000363183475 555047949 /nfs/dbraw/zinc/04/79/49/555047949.db2.gz XJEZCBQUXIQOCH-MRXNPFEDSA-N 0 3 374.448 2.063 20 30 FEEDHN CN(CCNC(=O)NCC1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000363287149 555071298 /nfs/dbraw/zinc/07/12/98/555071298.db2.gz AXMYOLKACZSAHF-UHFFFAOYSA-N 0 3 355.486 2.168 20 30 FEEDHN C=CCN1CCC(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)CC1 ZINC000363492217 555119769 /nfs/dbraw/zinc/11/97/69/555119769.db2.gz ZTNMFCGIXJKMCF-UHFFFAOYSA-N 0 3 354.454 2.244 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3c(F)cc(C#N)cc3F)C2)CC1 ZINC000363921900 555214447 /nfs/dbraw/zinc/21/44/47/555214447.db2.gz PGLOANURLILGRO-HNNXBMFYSA-N 0 3 362.424 2.077 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC#Cc1cccc(F)c1 ZINC000512158934 561894355 /nfs/dbraw/zinc/89/43/55/561894355.db2.gz OMRYIROXOLPIJK-MRXNPFEDSA-N 0 3 359.445 2.072 20 30 FEEDHN C=CCC1(C(=O)NCc2c(C)nn(C)c2N2CCCN(C)CC2)CCC1 ZINC000365090844 555482927 /nfs/dbraw/zinc/48/29/27/555482927.db2.gz LUVGUXQJOBANMA-UHFFFAOYSA-N 0 3 359.518 2.233 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000365336491 555546394 /nfs/dbraw/zinc/54/63/94/555546394.db2.gz MXYVGVVWHDININ-ATZDWAIDSA-N 0 3 356.470 2.247 20 30 FEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000365534194 555601576 /nfs/dbraw/zinc/60/15/76/555601576.db2.gz FKJUILUIZBMJQC-NSISKUIASA-N 0 3 356.466 2.318 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2nccn21 ZINC000365886977 555693143 /nfs/dbraw/zinc/69/31/43/555693143.db2.gz SFIDMLDUHLTVQI-GOSISDBHSA-N 0 3 351.454 2.223 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000365925478 555702566 /nfs/dbraw/zinc/70/25/66/555702566.db2.gz WYSOPOYUAYPTFY-SJLPKXTDSA-N 0 3 367.497 2.405 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000366003225 555724174 /nfs/dbraw/zinc/72/41/74/555724174.db2.gz XMZMIEIRUHJYJQ-DYVFJYSZSA-N 0 3 363.439 2.017 20 30 FEEDHN COCCOCc1ccc(CN2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000367321541 556017858 /nfs/dbraw/zinc/01/78/58/556017858.db2.gz HRACGYCKCSOKJZ-UHFFFAOYSA-N 0 3 355.442 2.150 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000367708605 556119799 /nfs/dbraw/zinc/11/97/99/556119799.db2.gz VFRYSNKGNLUDBW-SQNIBIBYSA-N 0 3 361.511 2.491 20 30 FEEDHN CC(C)(C#N)CCCN1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000369030790 556482034 /nfs/dbraw/zinc/48/20/34/556482034.db2.gz MZOPBURCYUHCIC-QGZVFWFLSA-N 0 3 373.501 2.047 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)s1 ZINC000369179547 556527284 /nfs/dbraw/zinc/52/72/84/556527284.db2.gz SXCREYVYZCJENQ-WFASDCNBSA-N 0 3 351.497 2.257 20 30 FEEDHN Cc1ccc(NC(=O)CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc1 ZINC000516172156 562033819 /nfs/dbraw/zinc/03/38/19/562033819.db2.gz GSEOQQYCGICYQY-MRXNPFEDSA-N 0 3 351.410 2.139 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2c3ccccc3CC[C@H]2CO)cc1 ZINC000369557990 556630987 /nfs/dbraw/zinc/63/09/87/556630987.db2.gz BQGVTYXEBQNBGT-WAOWUJCRSA-N 0 3 352.434 2.184 20 30 FEEDHN Cc1cc(=NC(=O)N[C@H]2c3ccccc3CC[C@H]2N(C)C)[nH]n1CCC#N ZINC000369851416 556712506 /nfs/dbraw/zinc/71/25/06/556712506.db2.gz JJNKSILXBCDSRT-MJGOQNOKSA-N 0 3 366.469 2.844 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000369873671 556718309 /nfs/dbraw/zinc/71/83/09/556718309.db2.gz MOEGGCXBTQMTDH-UXPWSPDFSA-N 0 3 370.497 2.289 20 30 FEEDHN Cc1ccc2c(CCNCCS(=O)(=O)c3ccc(C#N)cn3)c[nH]c2c1 ZINC000516563066 562048130 /nfs/dbraw/zinc/04/81/30/562048130.db2.gz QXUOTITXEFZLCS-UHFFFAOYSA-N 0 3 368.462 2.349 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000370185308 556805279 /nfs/dbraw/zinc/80/52/79/556805279.db2.gz QPYRJKOUECLFNG-UXHICEINSA-N 0 3 372.428 2.158 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccnc(-n3ccnc3)c2)cc1 ZINC000370482735 556885721 /nfs/dbraw/zinc/88/57/21/556885721.db2.gz CKPAEFQGCMHHSW-GOSISDBHSA-N 0 3 356.389 2.138 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(CC#N)c2)CC1=O ZINC000517014115 562071107 /nfs/dbraw/zinc/07/11/07/562071107.db2.gz IVUINMMPQUUSMJ-AEFFLSMTSA-N 0 3 354.454 2.024 20 30 FEEDHN CN(c1ccccc1CN1CCN(C2CC2)[C@@H](C#N)C1)C1CCN(C)CC1 ZINC000371326376 557147605 /nfs/dbraw/zinc/14/76/05/557147605.db2.gz IQBKTPNLKPBEEN-NRFANRHFSA-N 0 3 367.541 2.389 20 30 FEEDHN COc1ccc(O[C@@H](C)CNC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000518362689 562109683 /nfs/dbraw/zinc/10/96/83/562109683.db2.gz SVRKYHQPWLNHQD-DOTOQJQBSA-N 0 3 356.422 2.364 20 30 FEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000518689016 562116538 /nfs/dbraw/zinc/11/65/38/562116538.db2.gz GJIGYYGCZZFYNM-LIVBEALHSA-N 0 3 354.454 2.341 20 30 FEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000372728954 557548713 /nfs/dbraw/zinc/54/87/13/557548713.db2.gz JZAGAZPNEVRTEM-UYAOXDASSA-N 0 3 352.482 2.123 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(N3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC000372742096 557552177 /nfs/dbraw/zinc/55/21/77/557552177.db2.gz OZSOMZCBTXBDPA-BGYRXZFFSA-N 0 3 353.466 2.338 20 30 FEEDHN C=CCN(C(=O)c1cccc(=O)n1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372878469 557581359 /nfs/dbraw/zinc/58/13/59/557581359.db2.gz GSBHXBVCADWMSA-SFHVURJKSA-N 0 3 351.450 2.288 20 30 FEEDHN C[C@@H]1CN(CCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CCCO1 ZINC000372894317 557583969 /nfs/dbraw/zinc/58/39/69/557583969.db2.gz ZCDPBVVPUTZLGX-UTKZUKDTSA-N 0 3 355.482 2.302 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000373270977 557662452 /nfs/dbraw/zinc/66/24/52/557662452.db2.gz OLZRCGCFCKRTOU-AWEZNQCLSA-N 0 3 360.433 2.092 20 30 FEEDHN C[C@H]1NCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H]1C ZINC000520204345 562150525 /nfs/dbraw/zinc/15/05/25/562150525.db2.gz ANVIPQQQQNMIBS-VBJONLRCSA-N 0 3 357.458 2.035 20 30 FEEDHN COCCN1CCC(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000520413623 562155994 /nfs/dbraw/zinc/15/59/94/562155994.db2.gz RSTWRACODUCDDG-UHFFFAOYSA-N 0 3 374.510 2.393 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000373777622 557757065 /nfs/dbraw/zinc/75/70/65/557757065.db2.gz NMXCSXNDMHSOAF-ABSDTBQOSA-N 0 3 365.518 2.395 20 30 FEEDHN C[C@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000520650068 562160961 /nfs/dbraw/zinc/16/09/61/562160961.db2.gz ITVJUURKMSDKQN-BBRMVZONSA-N 0 3 368.478 2.009 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2CO)cc1 ZINC000521013858 562167552 /nfs/dbraw/zinc/16/75/52/562167552.db2.gz BGWCZJGIMYDUSC-CYBMUJFWSA-N 0 3 373.434 2.186 20 30 FEEDHN CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374333345 557867123 /nfs/dbraw/zinc/86/71/23/557867123.db2.gz UOUFMUSSMUUXPQ-FQELHTAISA-N 0 3 366.465 2.121 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000374472707 557888561 /nfs/dbraw/zinc/88/85/61/557888561.db2.gz RBJZGYSAFGYOLH-RBUKOAKNSA-N 0 3 353.466 2.316 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCc3ccccc3OC2)cc1 ZINC000374628737 557908955 /nfs/dbraw/zinc/90/89/55/557908955.db2.gz UBYAFVYEMZWCHT-QGZVFWFLSA-N 0 3 356.447 2.315 20 30 FEEDHN Cn1cc(C#N)cc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000375071333 557973653 /nfs/dbraw/zinc/97/36/53/557973653.db2.gz NOZFYSJPVJODSR-UHFFFAOYSA-N 0 3 352.438 2.300 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375993115 558111056 /nfs/dbraw/zinc/11/10/56/558111056.db2.gz PFIFGOAKFAVNCH-UHFFFAOYSA-N 0 3 350.422 2.493 20 30 FEEDHN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CNCC3)c1 ZINC000375994841 558111235 /nfs/dbraw/zinc/11/12/35/558111235.db2.gz SKRQTZJZVBFFBJ-UHFFFAOYSA-N 0 3 371.462 2.049 20 30 FEEDHN C#CCOc1ccc(F)cc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000376032590 558116365 /nfs/dbraw/zinc/11/63/65/558116365.db2.gz NGZVJGPFXSURNP-UHFFFAOYSA-N 0 3 371.416 2.945 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]21 ZINC000376075043 558123322 /nfs/dbraw/zinc/12/33/22/558123322.db2.gz KYDTYTDXLGFHDJ-JXFKEZNVSA-N 0 3 370.472 2.466 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1=O ZINC000376128294 558130499 /nfs/dbraw/zinc/13/04/99/558130499.db2.gz DWODPJOXUOCEDB-UHOSZYNNSA-N 0 3 370.497 2.078 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000376332404 558159230 /nfs/dbraw/zinc/15/92/30/558159230.db2.gz KUJYTSIXVGTIEF-HKUYNNGSSA-N 0 3 370.497 2.188 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000376589875 558194604 /nfs/dbraw/zinc/19/46/04/558194604.db2.gz SNLCYWNDXWNCAP-HEHGZKQESA-N 0 3 363.439 2.015 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@]23CCOC3)cc1 ZINC000376629263 558200011 /nfs/dbraw/zinc/20/00/11/558200011.db2.gz NGELGCILFKKCSF-DYVFJYSZSA-N 0 3 363.439 2.159 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000376837118 558228082 /nfs/dbraw/zinc/22/80/82/558228082.db2.gz ROAWPSMZMPSBLF-DOTOQJQBSA-N 0 3 358.442 2.141 20 30 FEEDHN CN(C(=O)[C@H]1CC12CCN(C[C@@H](O)c1ccc(C#N)cc1)CC2)C1CC1 ZINC000377184631 558283559 /nfs/dbraw/zinc/28/35/59/558283559.db2.gz NDPSPYZRQWJLCK-RTBURBONSA-N 0 3 353.466 2.315 20 30 FEEDHN Cn1ccnc1CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000377268763 558302656 /nfs/dbraw/zinc/30/26/56/558302656.db2.gz UYAGMCQNWSVNSI-IBGZPJMESA-N 0 3 361.449 2.455 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000377400564 558333425 /nfs/dbraw/zinc/33/34/25/558333425.db2.gz QEJRDWURJKACEN-ZAAXVRCTSA-N 0 3 368.481 2.277 20 30 FEEDHN CN1CC[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000377650366 558386845 /nfs/dbraw/zinc/38/68/45/558386845.db2.gz MDQJIXYGGOSHMX-QXAKKESOSA-N 0 3 360.889 2.483 20 30 FEEDHN C=C(C)[C@@H](CC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1)OCC ZINC000378311677 558526888 /nfs/dbraw/zinc/52/68/88/558526888.db2.gz JDQMAQAUDDEQKK-LJQANCHMSA-N 0 3 351.535 2.375 20 30 FEEDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc(C#N)cc4OC)C[C@@H]3C2)no1 ZINC000378363945 558539635 /nfs/dbraw/zinc/53/96/35/558539635.db2.gz ZIAHOSHTVNLLEP-IAGOWNOFSA-N 0 3 367.453 2.076 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000378463436 558563048 /nfs/dbraw/zinc/56/30/48/558563048.db2.gz QLTOTZZCIKUZED-GCJKJVERSA-N 0 3 368.525 2.075 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@H](c1ccccc1)C1CCOCC1 ZINC000378464587 558563634 /nfs/dbraw/zinc/56/36/34/558563634.db2.gz CRWHDGWJASGEDD-HXUWFJFHSA-N 0 3 354.454 2.400 20 30 FEEDHN C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)N1CCO ZINC000378568026 558584797 /nfs/dbraw/zinc/58/47/97/558584797.db2.gz WAOKYHFWPZDBBO-QZTJIDSGSA-N 0 3 367.497 2.351 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CCN(C)[C@H](C)C3)C2)n1 ZINC000408288362 558664198 /nfs/dbraw/zinc/66/41/98/558664198.db2.gz XKIJDSMFHFQQST-NJAFHUGGSA-N 0 3 355.486 2.077 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000410411685 558755778 /nfs/dbraw/zinc/75/57/78/558755778.db2.gz SIKIIYNLIRXQFR-UWWQBHOKSA-N 0 3 366.531 2.302 20 30 FEEDHN C=CCN(C)CCN(CC)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000411638360 558933461 /nfs/dbraw/zinc/93/34/61/558933461.db2.gz HELXNWXVLMFFLC-UHFFFAOYSA-N 0 3 358.442 2.062 20 30 FEEDHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000411693541 558945663 /nfs/dbraw/zinc/94/56/63/558945663.db2.gz LWKZYJOIISEBGM-UHFFFAOYSA-N 0 3 374.441 2.288 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000411700225 558946872 /nfs/dbraw/zinc/94/68/72/558946872.db2.gz XPHFTTDRELRHOG-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN CC[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccccc1 ZINC000411884448 558982704 /nfs/dbraw/zinc/98/27/04/558982704.db2.gz FRSLGJACBNOSJZ-KRWDZBQOSA-N 0 3 367.453 2.244 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411958637 558995347 /nfs/dbraw/zinc/99/53/47/558995347.db2.gz CFHDEXWCZDLTBI-NRFANRHFSA-N 0 3 365.433 2.075 20 30 FEEDHN C=CCOC[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)OC ZINC000412303493 559026195 /nfs/dbraw/zinc/02/61/95/559026195.db2.gz FZQREQLMRJHZEO-GOSISDBHSA-N 0 3 360.454 2.147 20 30 FEEDHN COC(=O)C1CCN(CCCNc2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413055446 559073204 /nfs/dbraw/zinc/07/32/04/559073204.db2.gz RDUPUINYBOWGQP-UHFFFAOYSA-N 0 3 360.414 2.462 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)N(CCC#N)C(C)C)c(OCCN(C)C)c1 ZINC000527104657 562276514 /nfs/dbraw/zinc/27/65/14/562276514.db2.gz OVRMGQSCQFTLKN-UHFFFAOYSA-N 0 3 360.458 2.025 20 30 FEEDHN Cc1cc(=NC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)[nH]n1CCC#N ZINC000415387570 559230000 /nfs/dbraw/zinc/23/00/00/559230000.db2.gz QLDPTRXNMBGDHV-KRWDZBQOSA-N 0 3 354.458 3.050 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@H](C)CN1 ZINC000415562102 559249948 /nfs/dbraw/zinc/24/99/48/559249948.db2.gz OINBOMNOANSIJL-HUUCEWRRSA-N 0 3 369.469 2.484 20 30 FEEDHN N#Cc1cc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccn1 ZINC000527273274 562283431 /nfs/dbraw/zinc/28/34/31/562283431.db2.gz FIXKBLWXVVRBBC-UHFFFAOYSA-N 0 3 352.360 2.488 20 30 FEEDHN N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CNCCC1(F)F ZINC000416873940 559336058 /nfs/dbraw/zinc/33/60/58/559336058.db2.gz STWZQIMXZKEOOD-CQSZACIVSA-N 0 3 354.426 2.088 20 30 FEEDHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCC#Cc2ccccc2)cc1 ZINC000419116834 559429040 /nfs/dbraw/zinc/42/90/40/559429040.db2.gz PFJLCQCTECZKMU-HXUWFJFHSA-N 0 3 363.461 2.094 20 30 FEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](N)C1 ZINC000419159684 559430557 /nfs/dbraw/zinc/43/05/57/559430557.db2.gz XQIYYJPDOUDTPV-OLMNPRSZSA-N 0 3 361.461 2.330 20 30 FEEDHN N#CC1(CNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCC1 ZINC000419420651 559441294 /nfs/dbraw/zinc/44/12/94/559441294.db2.gz KBDNLGNNRJRBJY-UHFFFAOYSA-N 0 3 369.513 2.187 20 30 FEEDHN C=CCC[C@@H](NC(=O)C(=O)N[C@H](C)CN)c1ccc(C(F)(F)F)cc1 ZINC000419473603 559444176 /nfs/dbraw/zinc/44/41/76/559444176.db2.gz LLPSBHWZWHZUPI-BXUZGUMPSA-N 0 3 357.376 2.292 20 30 FEEDHN Cc1cc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)ccc1C#N ZINC000420470511 559489414 /nfs/dbraw/zinc/48/94/14/559489414.db2.gz MTGFWJNOYNGZKN-FUHWJXTLSA-N 0 3 359.426 2.121 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H]1CCCN1C ZINC000420993748 559518223 /nfs/dbraw/zinc/51/82/23/559518223.db2.gz BAJGJCJKGLHVDT-IRXDYDNUSA-N 0 3 358.486 2.356 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N2CCN(C)CC[C@@H]2C)c(C#N)cn1CC ZINC000421178296 559529253 /nfs/dbraw/zinc/52/92/53/559529253.db2.gz WXXZRXOSNUNHEV-ZDUSSCGKSA-N 0 3 361.446 2.114 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000422310114 559577640 /nfs/dbraw/zinc/57/76/40/559577640.db2.gz VMGRELVLBMNRKN-RTBURBONSA-N 0 3 357.498 2.281 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422343176 559580106 /nfs/dbraw/zinc/58/01/06/559580106.db2.gz SGPJNNMNURFVAA-WMZOPIPTSA-N 0 3 370.497 2.069 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000422422011 559587259 /nfs/dbraw/zinc/58/72/59/559587259.db2.gz FCUTYASMZGRBMR-QFBILLFUSA-N 0 3 355.482 2.057 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000422523740 559592845 /nfs/dbraw/zinc/59/28/45/559592845.db2.gz DMQWZKFFOFINNS-GOSISDBHSA-N 0 3 357.498 2.233 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000422533428 559593343 /nfs/dbraw/zinc/59/33/43/559593343.db2.gz XHHCEIGMUZFZAF-QRQLOZEOSA-N 0 3 357.498 2.089 20 30 FEEDHN CCOc1ccc(C2(CNC(=O)[C@H](N)CCCC#N)CCOCC2)cc1 ZINC000424101194 559654801 /nfs/dbraw/zinc/65/48/01/559654801.db2.gz JECRLIKPEFIZSL-GOSISDBHSA-N 0 3 359.470 2.271 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000424131442 559655667 /nfs/dbraw/zinc/65/56/67/559655667.db2.gz GPOREMZDCBPSBH-INIZCTEOSA-N 0 3 353.426 2.031 20 30 FEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1Br ZINC000424135672 559655745 /nfs/dbraw/zinc/65/57/45/559655745.db2.gz ZQNZVMJYSDJUKK-AAEUAGOBSA-N 0 3 354.248 2.354 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000424500596 559667658 /nfs/dbraw/zinc/66/76/58/559667658.db2.gz JTKXZZMARBEFDB-JFRXWTBNSA-N 0 3 350.503 2.315 20 30 FEEDHN C=CCn1cc(CNC(=O)NCc2ccccc2CN2CCCCC2)nn1 ZINC000425409376 559700838 /nfs/dbraw/zinc/70/08/38/559700838.db2.gz VDIHIXJCFUZNNI-UHFFFAOYSA-N 0 3 368.485 2.449 20 30 FEEDHN C=CCn1cc(CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)nn1 ZINC000425444961 559702732 /nfs/dbraw/zinc/70/27/32/559702732.db2.gz CJNLXEQULAIQDY-MRXNPFEDSA-N 0 3 368.485 2.489 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000425531800 559708134 /nfs/dbraw/zinc/70/81/34/559708134.db2.gz ICAGNULGSGCRHP-LLVKDONJSA-N 0 3 356.348 2.329 20 30 FEEDHN C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N1CCC(C)CC1 ZINC000425874355 559723692 /nfs/dbraw/zinc/72/36/92/559723692.db2.gz CHXGHZBOEJRGBZ-SJORKVTESA-N 0 3 370.497 2.314 20 30 FEEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(CCN(C)C)CC1 ZINC000429847238 559806980 /nfs/dbraw/zinc/80/69/80/559806980.db2.gz PVNPZYILJYIQCH-UHFFFAOYSA-N 0 3 356.495 2.401 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2cccnc2)cc1 ZINC000429948546 559809521 /nfs/dbraw/zinc/80/95/21/559809521.db2.gz WHWDMOXRYZZATO-CYBMUJFWSA-N 0 3 358.423 2.132 20 30 FEEDHN N#CCCn1cc(CNCCn2cnnc2C2CC2)c(-c2ccncc2)n1 ZINC000433336348 559877368 /nfs/dbraw/zinc/87/73/68/559877368.db2.gz PFVZSGULSOKORX-UHFFFAOYSA-N 0 3 362.441 2.117 20 30 FEEDHN COC[C@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@@H]1CCCO1 ZINC000434781747 559909233 /nfs/dbraw/zinc/90/92/33/559909233.db2.gz DEOHQTSFKUKYGW-JBWWOZQKSA-N 0 3 351.491 2.089 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000437041313 559959710 /nfs/dbraw/zinc/95/97/10/559959710.db2.gz LLOKWMUCZFEISD-SJLPKXTDSA-N 0 3 359.470 2.093 20 30 FEEDHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000440042684 560003625 /nfs/dbraw/zinc/00/36/25/560003625.db2.gz BHBDSSDQMLVNNJ-HUUCEWRRSA-N 0 3 367.490 2.485 20 30 FEEDHN CCOc1ccccc1CN1CCN(CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000441333272 560028774 /nfs/dbraw/zinc/02/87/74/560028774.db2.gz TZJDBXATPROXGT-GOSISDBHSA-N 0 3 372.513 2.354 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nn(C)c2c1CCCC2 ZINC000449811983 560240779 /nfs/dbraw/zinc/24/07/79/560240779.db2.gz TXFFGIXYPKRQCO-UHFFFAOYSA-N 0 3 365.481 2.375 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450070509 560249889 /nfs/dbraw/zinc/24/98/89/560249889.db2.gz ZRRWVMAABHETLO-JFRXWTBNSA-N 0 3 350.503 2.315 20 30 FEEDHN C[C@@H]1[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCN1C ZINC000450559065 560266137 /nfs/dbraw/zinc/26/61/37/560266137.db2.gz XJUKLYHBRHYKMI-HACGYAERSA-N 0 3 374.872 2.163 20 30 FEEDHN CN(C)CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000450720273 560271461 /nfs/dbraw/zinc/27/14/61/560271461.db2.gz XZDKAVVYIDECIF-CQSZACIVSA-N 0 3 374.872 2.117 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)CC1 ZINC000450749588 560272141 /nfs/dbraw/zinc/27/21/41/560272141.db2.gz YXGLCHQEVONCMB-IBGZPJMESA-N 0 3 369.513 2.341 20 30 FEEDHN N#Cc1ccc(C(F)(F)F)c(N2CCN([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000450895049 560277359 /nfs/dbraw/zinc/27/73/59/560277359.db2.gz WPLKLTNPKNCXAZ-CQSZACIVSA-N 0 3 366.387 2.368 20 30 FEEDHN CN(C)Cc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2C#N)cc1 ZINC000451009484 560282246 /nfs/dbraw/zinc/28/22/46/560282246.db2.gz PNCVIOJQACJULM-UHFFFAOYSA-N 0 3 361.442 2.379 20 30 FEEDHN CC(C)(CC#N)CS(=O)(=O)NC[C@H]1CCN(CCc2ccccc2)C1 ZINC000451162865 560290620 /nfs/dbraw/zinc/29/06/20/560290620.db2.gz AWBPHBKAMKQOAF-GOSISDBHSA-N 0 3 363.527 2.410 20 30 FEEDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451203012 560292909 /nfs/dbraw/zinc/29/29/09/560292909.db2.gz OVGOBKUQYLSSCS-AWEZNQCLSA-N 0 3 355.891 2.368 20 30 FEEDHN C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CCN(Cc2ccccc2)C1 ZINC000451714266 560324163 /nfs/dbraw/zinc/32/41/63/560324163.db2.gz VBGAWKMQLFKWEE-LJQANCHMSA-N 0 3 367.497 2.096 20 30 FEEDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453610962 560391194 /nfs/dbraw/zinc/39/11/94/560391194.db2.gz RFRPYALEAAARTL-ZDUSSCGKSA-N 0 3 362.861 2.335 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(OCC)ccc2Cl)CC1 ZINC000453649768 560393295 /nfs/dbraw/zinc/39/32/95/560393295.db2.gz AHTXUIOKMTUBCB-UHFFFAOYSA-N 0 3 365.861 2.444 20 30 FEEDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000453725004 560399720 /nfs/dbraw/zinc/39/97/20/560399720.db2.gz VEDBMPSDFQSUKZ-UHFFFAOYSA-N 0 3 365.865 2.126 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756147 560401850 /nfs/dbraw/zinc/40/18/50/560401850.db2.gz PUQWSYXWYMQFRH-DYVFJYSZSA-N 0 3 374.872 2.430 20 30 FEEDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000454102150 560429471 /nfs/dbraw/zinc/42/94/71/560429471.db2.gz OWQPCISOOBEEMO-KRWDZBQOSA-N 0 3 372.469 2.249 20 30 FEEDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000454110141 560430099 /nfs/dbraw/zinc/43/00/99/560430099.db2.gz UERLAVQBZYYLNG-AWEZNQCLSA-N 0 3 362.861 2.286 20 30 FEEDHN C=C[C@H](CO)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455945497 560501413 /nfs/dbraw/zinc/50/14/13/560501413.db2.gz OTOIMKMTOCIPIV-CYBMUJFWSA-N 0 3 353.850 2.481 20 30 FEEDHN CC(C#N)C(=O)N(CCN(C(=O)[C@@H](C)C#N)C1CC1)Cc1ccccc1 ZINC000456698507 560529478 /nfs/dbraw/zinc/52/94/78/560529478.db2.gz MBKFJYSXVIUZKF-HOTGVXAUSA-N 0 3 352.438 2.326 20 30 FEEDHN CC(C#N)C(=O)N(CCN(Cc1ccccc1)C(=O)[C@@H](C)C#N)C1CC1 ZINC000456698507 560529479 /nfs/dbraw/zinc/52/94/79/560529479.db2.gz MBKFJYSXVIUZKF-HOTGVXAUSA-N 0 3 352.438 2.326 20 30 FEEDHN COc1ccc([C@H](CO)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000458193255 560607947 /nfs/dbraw/zinc/60/79/47/560607947.db2.gz FKZBCVMPJXCLTR-OALUTQOASA-N 0 3 363.417 2.141 20 30 FEEDHN CN(C)CC(C)(C)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000458365850 560617417 /nfs/dbraw/zinc/61/74/17/560617417.db2.gz KWHZTIWXKLCKRQ-HNNXBMFYSA-N 0 3 361.465 2.306 20 30 FEEDHN CC(C)[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCCC1 ZINC000459527044 560691995 /nfs/dbraw/zinc/69/19/95/560691995.db2.gz IZLLMEYJGOYFTA-GOSISDBHSA-N 0 3 364.511 2.499 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000460056281 560732137 /nfs/dbraw/zinc/73/21/37/560732137.db2.gz JHTWFNXIKJNLJX-UHFFFAOYSA-N 0 3 367.440 2.280 20 30 FEEDHN Cc1nc(N[C@@H](CC(C)C)C(=O)NCCN(C)C)c(Cl)cc1C#N ZINC000461958599 560789647 /nfs/dbraw/zinc/78/96/47/560789647.db2.gz NGCMNUYBARHPJU-HNNXBMFYSA-N 0 3 351.882 2.420 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000467022144 560901683 /nfs/dbraw/zinc/90/16/83/560901683.db2.gz HCFSLQYJDLFONU-LPHOPBHVSA-N 0 3 368.481 2.312 20 30 FEEDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C ZINC000469998851 560971509 /nfs/dbraw/zinc/97/15/09/560971509.db2.gz HVHJGAIMBUUTPC-RYUDHWBXSA-N 0 3 361.467 2.320 20 30 FEEDHN C=C(C)CN1CCC(Nc2cc(Br)cnc2C(N)=O)CC1 ZINC000472492279 561027734 /nfs/dbraw/zinc/02/77/34/561027734.db2.gz BYVJCNNZDDLHOT-UHFFFAOYSA-N 0 3 353.264 2.395 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2c3c(nn2C(C)C)CCC3)CC1 ZINC000473270853 561046011 /nfs/dbraw/zinc/04/60/11/561046011.db2.gz HPDGHKVFMNSGKE-UHFFFAOYSA-N 0 3 373.501 2.048 20 30 FEEDHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000473506724 561051443 /nfs/dbraw/zinc/05/14/43/561051443.db2.gz NOXOYDFCBBZBOG-RBUKOAKNSA-N 0 3 369.513 2.421 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000474441259 561074266 /nfs/dbraw/zinc/07/42/66/561074266.db2.gz ZILUBVUDLOFLAP-UHFFFAOYSA-N 0 3 369.400 2.133 20 30 FEEDHN N#Cc1cc(C(=O)NCc2ccc(OCCN3CCCC3)cc2)ccn1 ZINC000475924417 561108065 /nfs/dbraw/zinc/10/80/65/561108065.db2.gz AUKDJCQIYJVXIU-UHFFFAOYSA-N 0 3 350.422 2.358 20 30 FEEDHN CN(C(=O)c1cnn(C)c1C#N)c1ccc(OCCN2CCCC2)cc1 ZINC000476448747 561119697 /nfs/dbraw/zinc/11/96/97/561119697.db2.gz LTLLOLSYWKZCAL-UHFFFAOYSA-N 0 3 353.426 2.043 20 30 FEEDHN CC(C)[C@H](C)NC(=O)C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528368849 562325224 /nfs/dbraw/zinc/32/52/24/562325224.db2.gz WODFLQCGJJVQFU-QFBILLFUSA-N 0 3 373.497 2.171 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CCC(c3nc(-c4ccccn4)no3)CC2)CC1 ZINC000528367931 562325311 /nfs/dbraw/zinc/32/53/11/562325311.db2.gz KHDMZMDCZCFNCP-OAHLLOKOSA-N 0 3 353.426 2.366 20 30 FEEDHN COc1cc2c(c(OC)c1OC)CCN(C[C@H](O)CC1(C#N)CC1)CC2 ZINC000528406826 562327313 /nfs/dbraw/zinc/32/73/13/562327313.db2.gz ZGJNXCODVQVHIA-OAHLLOKOSA-N 0 3 360.454 2.168 20 30 FEEDHN CC1(N2CCOCC2)CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000528729625 562344532 /nfs/dbraw/zinc/34/45/32/562344532.db2.gz IITGEYNFRNJEMO-UHFFFAOYSA-N 0 3 362.499 2.135 20 30 FEEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cc2ccc(C#N)nc2)cc1 ZINC000528943047 562353849 /nfs/dbraw/zinc/35/38/49/562353849.db2.gz LKDUOYMAEQVKRQ-FQEVSTJZSA-N 0 3 364.449 2.458 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CCCOC2)cc1 ZINC000529079280 562359193 /nfs/dbraw/zinc/35/91/93/562359193.db2.gz GKHRCJQSGXHQLA-KGLIPLIRSA-N 0 3 365.455 2.311 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@H]1CCN(C(C)=O)C1)C(C)C ZINC000534376535 562532981 /nfs/dbraw/zinc/53/29/81/562532981.db2.gz GPSWTCMXGPHFSM-RTBURBONSA-N 0 3 364.534 2.195 20 30 FEEDHN N#Cc1ccc(CN(CC(=O)NC2CCN(C3CC3)CC2)C2CC2)cc1 ZINC000541314546 562608872 /nfs/dbraw/zinc/60/88/72/562608872.db2.gz GZMWPQQBXOJFIM-UHFFFAOYSA-N 0 3 352.482 2.266 20 30 FEEDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000568122112 567888803 /nfs/dbraw/zinc/88/88/03/567888803.db2.gz VQRHPQPHTLQHCY-NSHDSACASA-N 0 3 374.304 2.329 20 30 FEEDHN Cc1ccc([C@@H](CNC(=O)N2CCN(CCC#N)CC2)N2CCCC2)cc1 ZINC000602240304 567955344 /nfs/dbraw/zinc/95/53/44/567955344.db2.gz JSZGOUMBJMKEPI-HXUWFJFHSA-N 0 3 369.513 2.373 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2c3ccccc3C(=O)N2C)CC1 ZINC000636743110 568000888 /nfs/dbraw/zinc/00/08/88/568000888.db2.gz VQJCPSQAGYFJTI-SFHVURJKSA-N 0 3 356.470 2.153 20 30 FEEDHN CCNS(=O)(=O)c1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602689252 568011656 /nfs/dbraw/zinc/01/16/56/568011656.db2.gz AWWARTPORZHVOE-OAHLLOKOSA-N 0 3 365.499 2.173 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2c(F)cccc2F)cc1 ZINC000568461783 568040212 /nfs/dbraw/zinc/04/02/12/568040212.db2.gz CCSYFHCOSWBZCH-UHFFFAOYSA-N 0 3 350.390 2.442 20 30 FEEDHN Cc1nccc([C@H]2CCCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000603834448 568158798 /nfs/dbraw/zinc/15/87/98/568158798.db2.gz UGWJHVTVVUIIKF-ZWKOTPCHSA-N 0 3 352.438 2.276 20 30 FEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@@H+](CC)C(C)C ZINC000735420772 598362065 /nfs/dbraw/zinc/36/20/65/598362065.db2.gz UBCFCFGPIFYEQA-UHFFFAOYSA-N 0 3 371.489 2.295 20 30 FEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@H+](CC)C(C)C ZINC000735420772 598362067 /nfs/dbraw/zinc/36/20/67/598362067.db2.gz UBCFCFGPIFYEQA-UHFFFAOYSA-N 0 3 371.489 2.295 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+](CC)C(C)C ZINC000735420772 598362069 /nfs/dbraw/zinc/36/20/69/598362069.db2.gz UBCFCFGPIFYEQA-UHFFFAOYSA-N 0 3 371.489 2.295 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+](CC)C(C)C ZINC000735420772 598362071 /nfs/dbraw/zinc/36/20/71/598362071.db2.gz UBCFCFGPIFYEQA-UHFFFAOYSA-N 0 3 371.489 2.295 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000557852311 674471126 /nfs/dbraw/zinc/47/11/26/674471126.db2.gz DEYDXYLFUZJBNY-SUMWQHHRSA-N 0 3 351.447 2.086 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000815082275 674914060 /nfs/dbraw/zinc/91/40/60/674914060.db2.gz IOTVVFHROLNOCR-UHFFFAOYSA-N 0 3 352.353 2.078 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OCC)c2ccccc21 ZINC000815083057 674914524 /nfs/dbraw/zinc/91/45/24/674914524.db2.gz NPVJYQSGRPYPMQ-UHFFFAOYSA-N 0 3 360.479 2.472 20 30 FEEDHN COCCN(CCN(C)C)C(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000572366497 670993403 /nfs/dbraw/zinc/99/34/03/670993403.db2.gz UHEYZOJEFWWIBS-UHFFFAOYSA-N 0 3 362.499 2.203 20 30 FEEDHN COC1([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)CCOCC1 ZINC000582778996 672033225 /nfs/dbraw/zinc/03/32/25/672033225.db2.gz QFAUDEGBJPNFEY-ZDUSSCGKSA-N 0 3 351.472 2.349 20 30 FEEDHN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000584756268 672212677 /nfs/dbraw/zinc/21/26/77/672212677.db2.gz TZVDYTZXSATDSY-CQSZACIVSA-N 0 3 365.474 2.333 20 30 FEEDHN CC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000171566848 672333552 /nfs/dbraw/zinc/33/35/52/672333552.db2.gz FXPLVRDPBYLKPS-AAEUAGOBSA-N 0 3 365.792 2.385 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](CC(C)C)NC(=O)OCC)CC1 ZINC000171716594 672335228 /nfs/dbraw/zinc/33/52/28/672335228.db2.gz ZEZLICVGCMODFR-INIZCTEOSA-N 0 3 354.495 2.097 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000181556624 672427905 /nfs/dbraw/zinc/42/79/05/672427905.db2.gz VEOOTSAEFWDJOY-OAHLLOKOSA-N 0 3 352.479 2.080 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000611217544 676026032 /nfs/dbraw/zinc/02/60/32/676026032.db2.gz KWOSBLDVNCKCPC-KZNAEPCWSA-N 0 3 358.511 2.031 20 30 FEEDHN Cc1cc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)cc(C)c1O ZINC000591762922 672709009 /nfs/dbraw/zinc/70/90/09/672709009.db2.gz HKNWKZPRCXIHQO-UHFFFAOYSA-N 0 3 358.463 2.487 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000193422365 672723916 /nfs/dbraw/zinc/72/39/16/672723916.db2.gz UKMSKTVSDXWUFW-OAHLLOKOSA-N 0 3 357.435 2.133 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000194148157 672749024 /nfs/dbraw/zinc/74/90/24/672749024.db2.gz GRQQHSMSYJSYNM-AWEZNQCLSA-N 0 3 354.495 2.239 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000592124394 672761040 /nfs/dbraw/zinc/76/10/40/672761040.db2.gz BJHSBABHKIALGU-HIFRSBDPSA-N 0 3 365.275 2.165 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000592963308 672859782 /nfs/dbraw/zinc/85/97/82/672859782.db2.gz LCFYRAQOQZJORV-STQMWFEESA-N 0 3 356.348 2.101 20 30 FEEDHN O=C(NCCNCc1cnc(-c2ccccc2)s1)C1N=CC=CC1=O ZINC000255756407 672896342 /nfs/dbraw/zinc/89/63/42/672896342.db2.gz RKXWXPDPBKSXNX-WUKNDPDISA-N 0 3 354.435 2.426 20 30 FEEDHN C[NH+](C)CCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593532341 672935272 /nfs/dbraw/zinc/93/52/72/672935272.db2.gz OJFCZPFMZDKGJC-UHFFFAOYSA-N 0 3 365.480 2.039 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594071758 673028466 /nfs/dbraw/zinc/02/84/66/673028466.db2.gz QYXUMMSLMBZLST-QLFBSQMISA-N 0 3 360.483 2.364 20 30 FEEDHN CC1CCN([C@H](CNC(=O)NC[C@@H]2COCCO2)c2cccs2)CC1 ZINC000328764533 673066449 /nfs/dbraw/zinc/06/64/49/673066449.db2.gz GGQWESCYNJMIRM-HZPDHXFCSA-N 0 3 367.515 2.440 20 30 FEEDHN C[C@@H]1CN(Cc2csc(NC(=O)[C@@H](N)CCCCC#N)n2)C[C@@H](C)O1 ZINC000594441360 673071842 /nfs/dbraw/zinc/07/18/42/673071842.db2.gz QYEZCTWDMKCXSL-NFAWXSAZSA-N 0 3 365.503 2.102 20 30 FEEDHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594435945 673072063 /nfs/dbraw/zinc/07/20/63/673072063.db2.gz BJCRYVXZFLLNLF-GJZGRUSLSA-N 0 3 364.877 2.455 20 30 FEEDHN O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000330130520 673085868 /nfs/dbraw/zinc/08/58/68/673085868.db2.gz PCWCVWXLEUMBJQ-LLVKDONJSA-N 0 3 360.384 2.188 20 30 FEEDHN C=CC[C@H]1CCCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000594821064 673152878 /nfs/dbraw/zinc/15/28/78/673152878.db2.gz GIAWVMZFIWEADJ-NWDGAFQWSA-N 0 3 357.394 2.488 20 30 FEEDHN C=CCN1CCC(NC(=S)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000729943022 673254942 /nfs/dbraw/zinc/25/49/42/673254942.db2.gz XQDKHWWAGVDGKL-UHFFFAOYSA-N 0 3 361.511 2.115 20 30 FEEDHN C=CCCOCCCCC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000540490026 673542616 /nfs/dbraw/zinc/54/26/16/673542616.db2.gz ROFRUJOCYXHYCD-IBGZPJMESA-N 0 3 351.535 2.376 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)c(Cl)c1 ZINC000600065244 673738271 /nfs/dbraw/zinc/73/82/71/673738271.db2.gz YARNAUWYUIDTIW-AWEZNQCLSA-N 0 3 360.845 2.283 20 30 FEEDHN CN(C)C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000600754791 673796730 /nfs/dbraw/zinc/79/67/30/673796730.db2.gz IICPGSFISZOFAK-RHSMWYFYSA-N 0 3 373.328 2.392 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000601415019 673858533 /nfs/dbraw/zinc/85/85/33/673858533.db2.gz PGYUEHNCLGRZFP-CJNGLKHVSA-N 0 3 351.447 2.253 20 30 FEEDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000601421062 673859775 /nfs/dbraw/zinc/85/97/75/673859775.db2.gz HYWRIRFPISHWSI-QMTHXVAHSA-N 0 3 372.288 2.034 20 30 FEEDHN C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000548633585 673982204 /nfs/dbraw/zinc/98/22/04/673982204.db2.gz WBAKOTVNBLVYOI-RDTXWAMCSA-N 0 3 360.889 2.310 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000818615549 675228853 /nfs/dbraw/zinc/22/88/53/675228853.db2.gz PUSXNPXTGCEJIL-INIZCTEOSA-N 0 3 361.511 2.127 20 30 FEEDHN CC[S@](=O)[C@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000566791630 675243147 /nfs/dbraw/zinc/24/31/47/675243147.db2.gz CRRRDKGEAVIKHP-KXNSMUHISA-N 0 3 368.524 2.001 20 30 FEEDHN CN(C)Cc1ccc(N2CCN(c3nccc(C#N)c3Cl)CC2)nc1 ZINC000567133068 675269566 /nfs/dbraw/zinc/26/95/66/675269566.db2.gz OQLZNUINGPGGHD-UHFFFAOYSA-N 0 3 356.861 2.390 20 30 FEEDHN CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCCN(C)C1 ZINC000819313667 675280522 /nfs/dbraw/zinc/28/05/22/675280522.db2.gz JKNLTSCNTCPMME-CABCVRRESA-N 0 3 352.479 2.126 20 30 FEEDHN COc1ccc(C)cc1CCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000567680146 675311897 /nfs/dbraw/zinc/31/18/97/675311897.db2.gz QWCGERAHHUCYBM-UHFFFAOYSA-N 0 3 358.463 2.481 20 30 FEEDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000617431878 676284832 /nfs/dbraw/zinc/28/48/32/676284832.db2.gz PMGDNMLMTCOLOE-ZIAGYGMSSA-N 0 3 372.288 2.082 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625368749 676643185 /nfs/dbraw/zinc/64/31/85/676643185.db2.gz NOGODKABRHBVMD-INIZCTEOSA-N 0 3 361.511 2.396 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)N(C)C ZINC000643070451 677223103 /nfs/dbraw/zinc/22/31/03/677223103.db2.gz HJXIBIZYVJERGC-AWEZNQCLSA-N 0 3 355.463 2.153 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656360474 677749277 /nfs/dbraw/zinc/74/92/77/677749277.db2.gz UAIINQKRRIANLM-IRXDYDNUSA-N 0 3 361.511 2.396 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC2(CC(N)=O)CCCCC2)CC1 ZINC000660596662 678362446 /nfs/dbraw/zinc/36/24/46/678362446.db2.gz HZVYUKCFDKLKBV-UHFFFAOYSA-N 0 3 350.507 2.152 20 30 FEEDHN C[C@@H]1CN(C(=S)Nc2ccccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000763297465 680779030 /nfs/dbraw/zinc/77/90/30/680779030.db2.gz AZMCOPKFSNJAHX-CRAIPNDOSA-N 0 3 357.527 2.213 20 30 FEEDHN O=C(C#Cc1cccs1)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000840531819 680829802 /nfs/dbraw/zinc/82/98/02/680829802.db2.gz NMAQBKUWWSDYOS-UHFFFAOYSA-N 0 3 354.475 2.243 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000751595275 680188870 /nfs/dbraw/zinc/18/88/70/680188870.db2.gz HPWMIQIWPSJMLQ-INIZCTEOSA-N 0 3 351.491 2.446 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NCc2ncc(Cl)n2C)CC1 ZINC000997079581 680346838 /nfs/dbraw/zinc/34/68/38/680346838.db2.gz INUAHDWTLCCVEL-YOEHRIQHSA-N 0 3 366.893 2.135 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001033495833 680424574 /nfs/dbraw/zinc/42/45/74/680424574.db2.gz BISWTKLSAMCISX-NEWSRXKRSA-N 0 3 350.503 2.460 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000836488105 680475746 /nfs/dbraw/zinc/47/57/46/680475746.db2.gz LPVZCUZFUIEVEV-KRWDZBQOSA-N 0 3 351.397 2.003 20 30 FEEDHN CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ncc(C#N)cc2Cl)C1)N(C)C ZINC001043270913 680570845 /nfs/dbraw/zinc/57/08/45/680570845.db2.gz RYEYIMCELAVHGM-WQVCFCJDSA-N 0 3 363.893 2.452 20 30 FEEDHN CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000843433172 681003712 /nfs/dbraw/zinc/00/37/12/681003712.db2.gz VKIWXKRNWXBQQR-LRDDRELGSA-N 0 3 355.360 2.478 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ccsc2)C1 ZINC001051616178 681067961 /nfs/dbraw/zinc/06/79/61/681067961.db2.gz ARRVIXOXQCYQDZ-BBWFWOEESA-N 0 3 350.484 2.046 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000845220745 681111677 /nfs/dbraw/zinc/11/16/77/681111677.db2.gz NESRFHBGZLSUME-LJQANCHMSA-N 0 3 363.889 2.288 20 30 FEEDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000775337249 681298740 /nfs/dbraw/zinc/29/87/40/681298740.db2.gz YDIRPFZBPIKNLE-OAHLLOKOSA-N 0 3 359.451 2.218 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(N2CCCOC2=O)CC1 ZINC000933620522 681441784 /nfs/dbraw/zinc/44/17/84/681441784.db2.gz WKKASXPHMXAPGO-UHFFFAOYSA-N 0 3 362.455 2.255 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933715096 681456577 /nfs/dbraw/zinc/45/65/77/681456577.db2.gz YNBDTNBWNRXCLR-LBPRGKRZSA-N 0 3 355.364 2.047 20 30 FEEDHN CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000934192823 681523014 /nfs/dbraw/zinc/52/30/14/681523014.db2.gz BYVBVXIRTCKSCJ-IRXDYDNUSA-N 0 3 362.495 2.086 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934362273 681556968 /nfs/dbraw/zinc/55/69/68/681556968.db2.gz AQJWHETZKJIUCZ-UHFFFAOYSA-N 0 3 354.252 2.057 20 30 FEEDHN CO[C@@H](C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F)C1CCCC1 ZINC000850977570 681992292 /nfs/dbraw/zinc/99/22/92/681992292.db2.gz YYIXIKBQDAMXPO-WMLDXEAASA-N 0 3 350.365 2.495 20 30 FEEDHN CCOC(=O)c1nnc(SCC(=O)C(C#N)c2nc(C)cs2)s1 ZINC000783424354 682143390 /nfs/dbraw/zinc/14/33/90/682143390.db2.gz WQTBHVGIJLZKBD-MRVPVSSYSA-N 0 3 368.465 2.448 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000783531205 682150415 /nfs/dbraw/zinc/15/04/15/682150415.db2.gz IBADBPRCYKZIKV-GFCCVEGCSA-N 0 3 374.890 2.256 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)OCC)C1 ZINC000916874666 685528421 /nfs/dbraw/zinc/52/84/21/685528421.db2.gz HYZDQBHRSYTGQJ-GJZGRUSLSA-N 0 3 351.447 2.260 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)CN1c2ccccc2SCC1=O ZINC000916877690 685528441 /nfs/dbraw/zinc/52/84/41/685528441.db2.gz KTHJBFJDYUAJAJ-CYBMUJFWSA-N 0 3 359.451 2.141 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)cc1 ZINC000917018160 685529123 /nfs/dbraw/zinc/52/91/23/685529123.db2.gz HXQKIXRDHRWGDK-CYBMUJFWSA-N 0 3 351.353 2.471 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(CCc2scnc2C)C1 ZINC000970572512 682307884 /nfs/dbraw/zinc/30/78/84/682307884.db2.gz VPKBFOYDAOLSBH-OWQGQXMQSA-N 0 3 363.527 2.412 20 30 FEEDHN N#CC(C(=O)CSc1ccncc1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786570166 682386057 /nfs/dbraw/zinc/38/60/57/682386057.db2.gz IERILGZLXSSFCW-ZDUSSCGKSA-N 0 3 361.373 2.477 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]21 ZINC000972339854 682407600 /nfs/dbraw/zinc/40/76/00/682407600.db2.gz MOEQGPUOOWTNOY-BZUAXINKSA-N 0 3 367.921 2.165 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1cc(F)c(F)cc1F ZINC000793124904 682865860 /nfs/dbraw/zinc/86/58/60/682865860.db2.gz RCQQYOBTNYRRPS-GFCCVEGCSA-N 0 3 356.344 2.287 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CCCCN2S(C)(=O)=O)c([O-])c1 ZINC000794676332 682989257 /nfs/dbraw/zinc/98/92/57/682989257.db2.gz MTFWERSWBCWESI-MCRQTXEHSA-N 0 3 367.515 2.471 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H]2CCC(F)(F)C2)cc1 ZINC000796648845 683181344 /nfs/dbraw/zinc/18/13/44/683181344.db2.gz FFPAFIWZPBDVDR-ZFWWWQNUSA-N 0 3 350.365 2.498 20 30 FEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COCc2nnc(C)s2)cc1 ZINC000796796417 683196334 /nfs/dbraw/zinc/19/63/34/683196334.db2.gz DICWMKMQOGHUSU-AWEZNQCLSA-N 0 3 358.423 2.273 20 30 FEEDHN CCN1CCN(c2ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc2)CC1 ZINC000928809977 683507433 /nfs/dbraw/zinc/50/74/33/683507433.db2.gz SNEWJXLGOITOTK-OAHLLOKOSA-N 0 3 354.376 2.403 20 30 FEEDHN C[C@H](CN1CCN(C)CC1)NCc1cc(C#N)ccc1Br ZINC000921705702 683550889 /nfs/dbraw/zinc/55/08/89/683550889.db2.gz VYVLVMXGRRUBBY-CYBMUJFWSA-N 0 3 351.292 2.046 20 30 FEEDHN C#CC[C@@H](CCOC)NCCS(=O)(=O)c1cccc(Br)c1 ZINC000863589636 683746926 /nfs/dbraw/zinc/74/69/26/683746926.db2.gz SWTLEMSMVVPAPE-AWEZNQCLSA-N 0 3 374.300 2.241 20 30 FEEDHN CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000867863060 684412993 /nfs/dbraw/zinc/41/29/93/684412993.db2.gz WWMDXVRQHQUDLR-GOSISDBHSA-N 0 3 355.463 2.066 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCCCCNC(=O)CC2)CC1 ZINC000875248904 685764831 /nfs/dbraw/zinc/76/48/31/685764831.db2.gz WGSVAFGNHIMDFR-UHFFFAOYSA-N 0 3 350.507 2.119 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000876574322 686222370 /nfs/dbraw/zinc/22/23/70/686222370.db2.gz BVXZOXOBZPGELQ-CQSZACIVSA-N 0 3 356.253 2.094 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000876722393 686253482 /nfs/dbraw/zinc/25/34/82/686253482.db2.gz TXNLMANXXUXOPR-JKSUJKDBSA-N 0 3 372.296 2.299 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000876753227 686260724 /nfs/dbraw/zinc/26/07/24/686260724.db2.gz IPHUAJZCOMNBOU-BLLLJJGKSA-N 0 3 369.868 2.434 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000876880282 686286810 /nfs/dbraw/zinc/28/68/10/686286810.db2.gz SIEHIIHIYUSOTL-GFCCVEGCSA-N 0 3 361.225 2.017 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000876908153 686292931 /nfs/dbraw/zinc/29/29/31/686292931.db2.gz KBVJVZNEYJRFJT-ZIAGYGMSSA-N 0 3 362.817 2.106 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2cc(OC)ccc2Cl)CC1 ZINC000876945312 686299141 /nfs/dbraw/zinc/29/91/41/686299141.db2.gz YEEGVEUCIPPONZ-CQSZACIVSA-N 0 3 358.269 2.467 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000877037909 686315744 /nfs/dbraw/zinc/31/57/44/686315744.db2.gz ZANMZYGHJZRIBM-RYUDHWBXSA-N 0 3 360.216 2.171 20 30 FEEDHN C=CCNc1ncc(C(=O)N2CCN(c3ccncc3OC)CC2)s1 ZINC000482446549 686407053 /nfs/dbraw/zinc/40/70/53/686407053.db2.gz KTYHIVWBQOSNHZ-UHFFFAOYSA-N 0 3 359.455 2.107 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC2(CO)CCCCCCC2)c1 ZINC000879496856 686837806 /nfs/dbraw/zinc/83/78/06/686837806.db2.gz MGQOPHIXQFRGMI-UHFFFAOYSA-N 0 3 350.484 2.397 20 30 FEEDHN CO[C@@H]1COCC[C@@H]1N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000880433367 687048621 /nfs/dbraw/zinc/04/86/21/687048621.db2.gz NKEZFXAOAFGHEW-IVMMDQJWSA-N 0 3 359.451 2.208 20 30 FEEDHN C#CC[C@H](CO)NCc1cc(Br)cc(Br)c1N ZINC000883125261 687573051 /nfs/dbraw/zinc/57/30/51/687573051.db2.gz DGZPVFYWYIIMFY-SNVBAGLBSA-N 0 3 362.065 2.268 20 30 FEEDHN CN(C)C(=O)c1cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)ccc1Cl ZINC000884077492 687784832 /nfs/dbraw/zinc/78/48/32/687784832.db2.gz NJJXRYVJEWGKFP-BJCXPLBRSA-N 0 3 360.845 2.120 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H](c1nccs1)c1ccccc1)C2 ZINC000884110263 687791743 /nfs/dbraw/zinc/79/17/43/687791743.db2.gz DSBFRSXTWRLIDN-BWRBCVJASA-N 0 3 352.463 2.488 20 30 FEEDHN O=S1(=O)CCC(NN=C2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000884446342 687872534 /nfs/dbraw/zinc/87/25/34/687872534.db2.gz ONNCMFUHDAAJNX-LPHOPBHVSA-N 0 3 361.511 2.194 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885476195 688081847 /nfs/dbraw/zinc/08/18/47/688081847.db2.gz AKOZAWDKDQIWDK-HUUCEWRRSA-N 0 3 350.459 2.156 20 30 FEEDHN C#CCN(C(=O)c1nc(Br)ccc1C)C1CCN(C)CC1 ZINC000886577825 688278629 /nfs/dbraw/zinc/27/86/29/688278629.db2.gz YOYOEWRFYQMEBO-UHFFFAOYSA-N 0 3 350.260 2.322 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](CC2CC2)NC(=O)OC(C)(C)C)CC1 ZINC000896209071 689838389 /nfs/dbraw/zinc/83/83/89/689838389.db2.gz SXJIGSPEPJLXCA-INIZCTEOSA-N 0 3 351.491 2.446 20 30 FEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1nc(C#N)cs1 ZINC000897298414 690002274 /nfs/dbraw/zinc/00/22/74/690002274.db2.gz QWBSQHLJSZOYNP-UHFFFAOYSA-N 0 3 361.446 2.427 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@]2(C)C1 ZINC000907548999 691517910 /nfs/dbraw/zinc/51/79/10/691517910.db2.gz RJQOCRNRZOMCJB-DOMZBBRYSA-N 0 3 373.400 2.149 20 30 FEEDHN N#Cc1cccc2ncc(OS(=O)(=O)C[C@@]34CCN(C3)CCC4)cc12 ZINC000907603551 691525200 /nfs/dbraw/zinc/52/52/00/691525200.db2.gz LTLJYYBEFFKHNW-SFHVURJKSA-N 0 3 357.435 2.301 20 30 FEEDHN C=C(CCN(C)C)C(=O)N[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000907955832 691589694 /nfs/dbraw/zinc/58/96/94/691589694.db2.gz ZWGBZZAKEZEHCT-NVXWUHKLSA-N 0 3 352.500 2.093 20 30 FEEDHN Cc1ccc(CC#N)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164877637 721157096 /nfs/dbraw/zinc/15/70/96/721157096.db2.gz PKRQYJKBGIVVNL-PMACEKPBSA-N 0 3 363.465 2.331 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@H]3C2)cn1 ZINC001164771484 721187162 /nfs/dbraw/zinc/18/71/62/721187162.db2.gz QLHHQIYLPBVFJL-HZPDHXFCSA-N 0 3 361.453 2.126 20 30 FEEDHN Cc1ccc(CC#N)c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164763213 721209127 /nfs/dbraw/zinc/20/91/27/721209127.db2.gz DSLSEUPYYNSKMR-RTBURBONSA-N 0 3 350.470 2.148 20 30 FEEDHN Cc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164980686 722103335 /nfs/dbraw/zinc/10/33/35/722103335.db2.gz JYCGMPJYFUEBHE-ICSRJNTNSA-N 0 3 363.465 2.384 20 30 FEEDHN C[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000502072292 813810005 /nfs/dbraw/zinc/81/00/05/813810005.db2.gz UATLEGPZCSNDEN-KRWDZBQOSA-N 0 3 363.465 2.488 20 30 FEEDHN CNC(=O)c1ccc(CN(C)CCC(=O)Nc2sccc2C#N)cc1 ZINC000007996064 539474050 /nfs/dbraw/zinc/47/40/50/539474050.db2.gz BJXUNOZUGQDGPY-UHFFFAOYSA-N 0 3 356.451 2.440 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000039564035 540002033 /nfs/dbraw/zinc/00/20/33/540002033.db2.gz NRTSMLIAQOBTCO-UHFFFAOYSA-N 0 3 372.513 2.375 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000039564035 540002035 /nfs/dbraw/zinc/00/20/35/540002035.db2.gz NRTSMLIAQOBTCO-UHFFFAOYSA-N 0 3 372.513 2.375 20 30 FEEDHN C=CCOc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1OC ZINC000041350464 540017893 /nfs/dbraw/zinc/01/78/93/540017893.db2.gz ZGAQAMOXSZVMMQ-UHFFFAOYSA-N 0 3 361.486 2.017 20 30 FEEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC000041518168 540023963 /nfs/dbraw/zinc/02/39/63/540023963.db2.gz PNLZTJGNOVBZDS-CQSZACIVSA-N 0 3 361.448 2.482 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812541 540229558 /nfs/dbraw/zinc/22/95/58/540229558.db2.gz UIYDVZUVROHJHS-QWHCGFSZSA-N 0 3 358.442 2.086 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCn1c(C)csc1=O)C(C)C ZINC000046049151 540239177 /nfs/dbraw/zinc/23/91/77/540239177.db2.gz APTPMJFAOYUYRG-MRXNPFEDSA-N 0 3 351.516 2.423 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCn1c(C)csc1=O)C(C)C ZINC000046049150 540239429 /nfs/dbraw/zinc/23/94/29/540239429.db2.gz APTPMJFAOYUYRG-INIZCTEOSA-N 0 3 351.516 2.423 20 30 FEEDHN COC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000046528710 540260777 /nfs/dbraw/zinc/26/07/77/540260777.db2.gz OHEGOMGOEQYTTL-SFHVURJKSA-N 0 3 354.406 2.217 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000047415457 540308721 /nfs/dbraw/zinc/30/87/21/540308721.db2.gz DKPYFOIWBGCIBB-KBPBESRZSA-N 0 3 358.486 2.033 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000047415457 540308725 /nfs/dbraw/zinc/30/87/25/540308725.db2.gz DKPYFOIWBGCIBB-KBPBESRZSA-N 0 3 358.486 2.033 20 30 FEEDHN C[C@@H]1CN(C(=O)C2CCN(CCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000051765459 540443522 /nfs/dbraw/zinc/44/35/22/540443522.db2.gz NEKBQSISXMCBKN-CALCHBBNSA-N 0 3 371.481 2.285 20 30 FEEDHN C=CCNC(=O)CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000052833866 540492510 /nfs/dbraw/zinc/49/25/10/540492510.db2.gz GVFUJRKKBDPFGD-UHFFFAOYSA-N 0 3 353.260 2.347 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000057699784 540809030 /nfs/dbraw/zinc/80/90/30/540809030.db2.gz FXBXCNNCOMWJQC-UHFFFAOYSA-N 0 3 372.469 2.228 20 30 FEEDHN CN(C)CCn1c2cc(NC(=O)c3ccc(C#N)cc3)ccc2oc1=O ZINC000058737536 540854593 /nfs/dbraw/zinc/85/45/93/540854593.db2.gz HSIUEGFREXKRKD-UHFFFAOYSA-N 0 3 350.378 2.280 20 30 FEEDHN Cc1cc(=NC(=O)N(CCN(C)C)Cc2ccccn2)[nH]n1CCC#N ZINC000540816758 541099703 /nfs/dbraw/zinc/09/97/03/541099703.db2.gz ZSEBNISEYBBMIZ-UHFFFAOYSA-N 0 3 355.446 2.096 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(C#N)cc1 ZINC000065930022 541272549 /nfs/dbraw/zinc/27/25/49/541272549.db2.gz HPEIIRPUBVVULL-UHFFFAOYSA-N 0 3 362.433 2.399 20 30 FEEDHN Cc1csc(=O)n1CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931096 541273248 /nfs/dbraw/zinc/27/32/48/541273248.db2.gz VBJRFZPUZPLSBY-UHFFFAOYSA-N 0 3 372.494 2.070 20 30 FEEDHN N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)c1N ZINC000066241382 541294609 /nfs/dbraw/zinc/29/46/09/541294609.db2.gz HCAWWWUTZFXQFY-SFHVURJKSA-N 0 3 364.453 2.027 20 30 FEEDHN CNC(=O)COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000066504306 541330967 /nfs/dbraw/zinc/33/09/67/541330967.db2.gz PJDGCKICORGJKB-GFCCVEGCSA-N 0 3 359.407 2.075 20 30 FEEDHN CS(=O)(=O)c1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000067010953 541405913 /nfs/dbraw/zinc/40/59/13/541405913.db2.gz IXFNRKIAVRTWNC-UHFFFAOYSA-N 0 3 370.478 2.115 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000067397564 541456476 /nfs/dbraw/zinc/45/64/76/541456476.db2.gz JNWYZWGJWRBQAQ-LSDHHAIUSA-N 0 3 372.469 2.132 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000067549781 541479482 /nfs/dbraw/zinc/47/94/82/541479482.db2.gz JXVADEPNDBVFQL-MRXNPFEDSA-N 0 3 360.458 2.171 20 30 FEEDHN N#Cc1ccc(CN2CCC3(CC2)NC(=N)Nc2nc4ccccc4n23)cc1 ZINC000067963357 541533342 /nfs/dbraw/zinc/53/33/42/541533342.db2.gz WGXMUHPUYUEBKO-UHFFFAOYSA-N 0 3 371.448 2.406 20 30 FEEDHN C[C@@H](OC[C@H]1CCCO1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000068791411 541629136 /nfs/dbraw/zinc/62/91/36/541629136.db2.gz FKWWGEXKGVKJKT-VQIMIIECSA-N 0 3 359.470 2.033 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000069500696 541691678 /nfs/dbraw/zinc/69/16/78/541691678.db2.gz FAKDNDXNOUSMDV-HKUYNNGSSA-N 0 3 359.470 2.189 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000070883255 541748675 /nfs/dbraw/zinc/74/86/75/541748675.db2.gz DLHZHIHOZMCCKA-UHFFFAOYSA-N 0 3 358.486 2.178 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000074130172 542040539 /nfs/dbraw/zinc/04/05/39/542040539.db2.gz UBLPBDBNFFZEEI-IBGZPJMESA-N 0 3 370.497 2.474 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000074659203 542110082 /nfs/dbraw/zinc/11/00/82/542110082.db2.gz NPMPQPUKMBJPRA-SJORKVTESA-N 0 3 357.502 2.192 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1CN1CCOCC1 ZINC000075969176 542221701 /nfs/dbraw/zinc/22/17/01/542221701.db2.gz NPQCOVYGDQVUSR-RTWAWAEBSA-N 0 3 374.525 2.342 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CCN(CC#N)CC1 ZINC000077567491 542398759 /nfs/dbraw/zinc/39/87/59/542398759.db2.gz YTBYWJLRLNUVJR-GOSISDBHSA-N 0 3 369.513 2.280 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000078451648 542462108 /nfs/dbraw/zinc/46/21/08/542462108.db2.gz WIIIVDCEZCLQRL-VQTJNVASSA-N 0 3 354.498 2.343 20 30 FEEDHN N#CC(C(=O)CCn1ccnn1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000802040665 674159520 /nfs/dbraw/zinc/15/95/20/674159520.db2.gz JCEMSKATOOGPRK-SNVBAGLBSA-N 0 3 352.181 2.323 20 30 FEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085789048 542732117 /nfs/dbraw/zinc/73/21/17/542732117.db2.gz ICOXZBIUOYPQOI-INIZCTEOSA-N 0 3 367.471 2.254 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000089266531 542759231 /nfs/dbraw/zinc/75/92/31/542759231.db2.gz HMDOZYSLZBCVAA-UHFFFAOYSA-N 0 3 361.465 2.093 20 30 FEEDHN CN(C)CCOc1ccccc1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000089800914 542771147 /nfs/dbraw/zinc/77/11/47/542771147.db2.gz CFVRXZHMPUWMAZ-UHFFFAOYSA-N 0 3 367.449 2.388 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1 ZINC000090060934 542781388 /nfs/dbraw/zinc/78/13/88/542781388.db2.gz VOJIFANVEYCDNU-CALCHBBNSA-N 0 3 359.470 2.137 20 30 FEEDHN C=CCOc1ccccc1CN1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000092064568 542842314 /nfs/dbraw/zinc/84/23/14/542842314.db2.gz QVAPPNODJQQJGQ-UHFFFAOYSA-N 0 3 360.454 2.143 20 30 FEEDHN C#CCN1CCC(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092036012 542840214 /nfs/dbraw/zinc/84/02/14/542840214.db2.gz FVZBUXOPIXITJD-UHFFFAOYSA-N 0 3 366.465 2.105 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)cc1 ZINC000092074212 542843735 /nfs/dbraw/zinc/84/37/35/542843735.db2.gz SDKVWSBEROCBIW-HNNXBMFYSA-N 0 3 367.453 2.105 20 30 FEEDHN COC(=O)C(C)(C)[C@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000093298062 542924640 /nfs/dbraw/zinc/92/46/40/542924640.db2.gz QAGGLGCUMHEFPK-ROUUACIJSA-N 0 3 374.481 2.404 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329169 542927283 /nfs/dbraw/zinc/92/72/83/542927283.db2.gz QMQQIFRYJYLJIY-AWEZNQCLSA-N 0 3 370.375 2.316 20 30 FEEDHN C[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)N(C)C1CC1 ZINC000105267914 543167490 /nfs/dbraw/zinc/16/74/90/543167490.db2.gz IOVUGNHJYOQJAX-INIZCTEOSA-N 0 3 355.486 2.263 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2Cl)CC1 ZINC000106348889 543224546 /nfs/dbraw/zinc/22/45/46/543224546.db2.gz YZWQCBQROHZBMJ-UHFFFAOYSA-N 0 3 365.861 2.444 20 30 FEEDHN CC(C)(C)OC(=O)N[C@H]1CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000106867805 543251304 /nfs/dbraw/zinc/25/13/04/543251304.db2.gz RFZXCHVRLCRESI-HNNXBMFYSA-N 0 3 358.442 2.486 20 30 FEEDHN N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108619115 543298606 /nfs/dbraw/zinc/29/86/06/543298606.db2.gz HZGDFUCPTUIODH-HNNXBMFYSA-N 0 3 372.494 2.231 20 30 FEEDHN CN(c1ccc(NC(=O)C2(C#N)CCOCC2)cc1)C1CCN(C)CC1 ZINC000109140760 543315498 /nfs/dbraw/zinc/31/54/98/543315498.db2.gz MLHBINQWCZBQKD-UHFFFAOYSA-N 0 3 356.470 2.476 20 30 FEEDHN CCN1CCN([C@H](C)CNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000111661035 543410521 /nfs/dbraw/zinc/41/05/21/543410521.db2.gz NNZAHGBBUORVQR-GOSISDBHSA-N 0 3 372.513 2.250 20 30 FEEDHN Cc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c(CN(C)C)c1 ZINC000113989154 543500612 /nfs/dbraw/zinc/50/06/12/543500612.db2.gz FZRFOMNCJIHBLF-UHFFFAOYSA-N 0 3 350.422 2.297 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC1 ZINC000116637410 543612010 /nfs/dbraw/zinc/61/20/10/543612010.db2.gz DEEIASBUBVDWDJ-UHFFFAOYSA-N 0 3 353.382 2.269 20 30 FEEDHN COc1cc(/C=C/C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)ccc1OCC#N ZINC000120911201 543686738 /nfs/dbraw/zinc/68/67/38/543686738.db2.gz OCYIDDPWPNRGEI-YFZXXLGGSA-N 0 3 357.454 2.409 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000121355983 543692746 /nfs/dbraw/zinc/69/27/46/543692746.db2.gz JDHBVDXZTYPCLN-UHFFFAOYSA-N 0 3 374.441 2.307 20 30 FEEDHN C#CCNC(=O)c1ccccc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000118981279 543662594 /nfs/dbraw/zinc/66/25/94/543662594.db2.gz PADOJXVPERPRJO-UHFFFAOYSA-N 0 3 369.465 2.023 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000120458384 543680312 /nfs/dbraw/zinc/68/03/12/543680312.db2.gz YGASEBXMVBWUTR-RHSMWYFYSA-N 0 3 356.470 2.367 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125656630 543894449 /nfs/dbraw/zinc/89/44/49/543894449.db2.gz QIWBYNZAQVLYFB-SNVBAGLBSA-N 0 3 373.379 2.008 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CC[C@@H]21 ZINC000126881749 543961491 /nfs/dbraw/zinc/96/14/91/543961491.db2.gz UFUMQZOVZUFPNR-DOMZBBRYSA-N 0 3 353.875 2.316 20 30 FEEDHN N#Cc1cccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000127896142 544020361 /nfs/dbraw/zinc/02/03/61/544020361.db2.gz BLRURLGKWYQTFV-UHFFFAOYSA-N 0 3 355.872 2.341 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)NCC)c3ccccc3n2)CC1 ZINC000127542224 543999558 /nfs/dbraw/zinc/99/95/58/543999558.db2.gz DWZYJQGQVVWTBR-UHFFFAOYSA-N 0 3 364.449 2.268 20 30 FEEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)c1C#N ZINC000128158833 544036315 /nfs/dbraw/zinc/03/63/15/544036315.db2.gz HZPUCZLYSCLJLY-UHFFFAOYSA-N 0 3 367.388 2.215 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnc(Cl)c(C)c2)CC1 ZINC000128974357 544083766 /nfs/dbraw/zinc/08/37/66/544083766.db2.gz IKEJIJZENXNIRK-UHFFFAOYSA-N 0 3 350.850 2.139 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-n2cccn2)ccn1 ZINC000129544911 544117643 /nfs/dbraw/zinc/11/76/43/544117643.db2.gz VZPOREICNUACBG-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CN1C1CC1 ZINC000130508878 544153649 /nfs/dbraw/zinc/15/36/49/544153649.db2.gz DFBIPXYTBVWTFG-IMFGXOCKSA-N 0 3 367.497 2.031 20 30 FEEDHN C[C@@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000131019599 544174222 /nfs/dbraw/zinc/17/42/22/544174222.db2.gz SWCFNCQDXMKXKF-COXVUDFISA-N 0 3 360.433 2.095 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000140815874 544410210 /nfs/dbraw/zinc/41/02/10/544410210.db2.gz VWQWNEZKRHTKQP-ZDUSSCGKSA-N 0 3 356.401 2.398 20 30 FEEDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000152679494 544682420 /nfs/dbraw/zinc/68/24/20/544682420.db2.gz DCRCHHAGFUMRPE-NRFANRHFSA-N 0 3 367.449 2.180 20 30 FEEDHN COCCCN(C)CCNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000152366466 544644101 /nfs/dbraw/zinc/64/41/01/544644101.db2.gz CDHCKYFJEZAFFO-UHFFFAOYSA-N 0 3 362.499 2.251 20 30 FEEDHN CCO[C@H]1C[C@H](O)C12CCN(CCC(=O)Nc1ccccc1C#N)CC2 ZINC000152907898 544710123 /nfs/dbraw/zinc/71/01/23/544710123.db2.gz WTQMJVUCTUUXOZ-ROUUACIJSA-N 0 3 357.454 2.139 20 30 FEEDHN C[C@H](C(=O)N1CCCc2ccccc21)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153271702 544755428 /nfs/dbraw/zinc/75/54/28/544755428.db2.gz RUASPGBWDSSPRY-CQSZACIVSA-N 0 3 366.469 2.096 20 30 FEEDHN C[C@@H](CNC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153290980 544757411 /nfs/dbraw/zinc/75/74/11/544757411.db2.gz DZEYCEJDUYQDAD-LSDHHAIUSA-N 0 3 368.485 2.036 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2nnn(C)c2c1 ZINC000182776057 327788408 /nfs/dbraw/zinc/78/84/08/327788408.db2.gz ATZDPHLLSSEHIA-UHFFFAOYSA-N 0 3 362.437 2.044 20 30 FEEDHN CC[C@@H](NCCOc1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 ZINC000183031587 327798286 /nfs/dbraw/zinc/79/82/86/327798286.db2.gz WPSFXCOGEVPTFV-GOSISDBHSA-N 0 3 359.451 2.325 20 30 FEEDHN N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c1 ZINC000184894013 327887929 /nfs/dbraw/zinc/88/79/29/327887929.db2.gz RBVOEGMCSUXFOJ-AWEZNQCLSA-N 0 3 353.875 2.318 20 30 FEEDHN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000189388636 328145052 /nfs/dbraw/zinc/14/50/52/328145052.db2.gz CWYJLNIVZMUHGA-INIZCTEOSA-N 0 3 358.417 2.113 20 30 FEEDHN COCCO[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000189676571 328161667 /nfs/dbraw/zinc/16/16/67/328161667.db2.gz VOFUAFOZXWCIPU-ZDUSSCGKSA-N 0 3 363.483 2.174 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000191254825 328256745 /nfs/dbraw/zinc/25/67/45/328256745.db2.gz QRKMUKZQWJZNCZ-KSSFIOAISA-N 0 3 350.422 2.304 20 30 FEEDHN CCCNC(=O)C1(NC[C@@H](O)COc2ccc(C#N)cc2)CCCCC1 ZINC000078656227 325056843 /nfs/dbraw/zinc/05/68/43/325056843.db2.gz ZETMBSCKTVOMII-QGZVFWFLSA-N 0 3 359.470 2.117 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000088775438 325300652 /nfs/dbraw/zinc/30/06/52/325300652.db2.gz LUXUNRBDDICOIR-ZDUSSCGKSA-N 0 3 360.845 2.283 20 30 FEEDHN Cc1cc(C)cc(NC(=O)[C@H](C)N(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000089943028 325344058 /nfs/dbraw/zinc/34/40/58/325344058.db2.gz LJEBJCWFQLDCJN-AWEZNQCLSA-N 0 3 354.458 2.372 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000116447808 326015601 /nfs/dbraw/zinc/01/56/01/326015601.db2.gz URIUVWJAOKSSJR-ICSRJNTNSA-N 0 3 373.497 2.171 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000127930686 326515137 /nfs/dbraw/zinc/51/51/37/326515137.db2.gz RGXRRJCCMHKELZ-QZTJIDSGSA-N 0 3 358.467 2.302 20 30 FEEDHN CC[C@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)N(C)C ZINC000158110824 326885516 /nfs/dbraw/zinc/88/55/16/326885516.db2.gz QWYFGKIGTCWJGN-GOSISDBHSA-N 0 3 351.454 2.095 20 30 FEEDHN Cc1c(/C=C/C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1C ZINC000161491966 327000982 /nfs/dbraw/zinc/00/09/82/327000982.db2.gz JHRVEFAYFSUFNY-CMDGGOBGSA-N 0 3 351.454 2.204 20 30 FEEDHN Cc1oc(NC(=O)[C@@H](C)N2CCN(CC3CCOCC3)CC2)c(C#N)c1C ZINC000172428746 327201408 /nfs/dbraw/zinc/20/14/08/327201408.db2.gz PNSGEOGCEDWXLF-OAHLLOKOSA-N 0 3 374.485 2.139 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000175068743 327371886 /nfs/dbraw/zinc/37/18/86/327371886.db2.gz RUYRYXWCWZEBIU-SJORKVTESA-N 0 3 370.497 2.270 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000175068743 327371887 /nfs/dbraw/zinc/37/18/87/327371887.db2.gz RUYRYXWCWZEBIU-SJORKVTESA-N 0 3 370.497 2.270 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)c1C#N ZINC000176114017 327435281 /nfs/dbraw/zinc/43/52/81/327435281.db2.gz UEHJZYZHBPDVAI-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000268161138 329392052 /nfs/dbraw/zinc/39/20/52/329392052.db2.gz OMJUKSYCYSTRSF-QFBILLFUSA-N 0 3 367.497 2.263 20 30 FEEDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1N1CCCC1 ZINC000274012241 329908784 /nfs/dbraw/zinc/90/87/84/329908784.db2.gz KZGYSKMJYHXUER-ZTFGCOKTSA-N 0 3 358.511 2.397 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000275049605 330005349 /nfs/dbraw/zinc/00/53/49/330005349.db2.gz ZZXYHZUTCOQYTO-SFHVURJKSA-N 0 3 351.454 2.399 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCN3CCCC[C@@H]3C)C2)n1 ZINC000377932282 330252821 /nfs/dbraw/zinc/25/28/21/330252821.db2.gz OEKKYTXHUKKCDX-PKOBYXMFSA-N 0 3 369.513 2.469 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416706002 330262351 /nfs/dbraw/zinc/26/23/51/330262351.db2.gz MHGULFMDNDYAGV-UZLBHIALSA-N 0 3 369.513 2.261 20 30 FEEDHN C[C@@H](C(=O)Nc1ncccn1)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328636925 524309024 /nfs/dbraw/zinc/30/90/24/524309024.db2.gz OIWDXMRXCASHBO-YQQAZPJKSA-N 0 3 371.489 2.202 20 30 FEEDHN COCCN(Cc1ccc2c(c1)OCO2)C[C@H](O)c1ccc(C#N)cc1 ZINC000156332348 545618056 /nfs/dbraw/zinc/61/80/56/545618056.db2.gz VCFQXKZYYNSAJM-SFHVURJKSA-N 0 3 354.406 2.469 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000156711733 545650915 /nfs/dbraw/zinc/65/09/15/545650915.db2.gz PJCFKJAZSHFHMA-CYBMUJFWSA-N 0 3 353.463 2.486 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](N3CCCC3)CC2)c1 ZINC000156774557 545658964 /nfs/dbraw/zinc/65/89/64/545658964.db2.gz HNOUDJBHDXNXLA-SFHVURJKSA-N 0 3 361.511 2.282 20 30 FEEDHN CN1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000157382734 545734641 /nfs/dbraw/zinc/73/46/41/545734641.db2.gz RABVCXBXKIDGEU-LLVKDONJSA-N 0 3 361.389 2.197 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)CC1 ZINC000171715223 546220646 /nfs/dbraw/zinc/22/06/46/546220646.db2.gz OLJGILWINREORW-KRWDZBQOSA-N 0 3 365.424 2.299 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)CC1 ZINC000171718263 546220817 /nfs/dbraw/zinc/22/08/17/546220817.db2.gz HJGHFABUKSXLFZ-UHFFFAOYSA-N 0 3 350.484 2.249 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CCC)C2)CC1 ZINC000171738601 546223220 /nfs/dbraw/zinc/22/32/20/546223220.db2.gz SPGYUDNQXMWGJU-DLBZAZTESA-N 0 3 364.534 2.363 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCCC(=O)N2Cc3ccccc3C2)CC1 ZINC000171907836 546229782 /nfs/dbraw/zinc/22/97/82/546229782.db2.gz NOYHPSGULMFGSS-UHFFFAOYSA-N 0 3 370.497 2.259 20 30 FEEDHN C=CC1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000171953514 546231785 /nfs/dbraw/zinc/23/17/85/546231785.db2.gz IUDREXWFJIAABV-UHFFFAOYSA-N 0 3 369.509 2.164 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)CC1 ZINC000173102386 546273286 /nfs/dbraw/zinc/27/32/86/546273286.db2.gz SJSJBIWLGFIZTE-OAHLLOKOSA-N 0 3 354.458 2.058 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(COC(C)C)cc2)CC1 ZINC000173275519 546277270 /nfs/dbraw/zinc/27/72/70/546277270.db2.gz YRXMDMUHSSVCTK-UHFFFAOYSA-N 0 3 359.470 2.317 20 30 FEEDHN C=CCN1CCC(N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173398268 546280332 /nfs/dbraw/zinc/28/03/32/546280332.db2.gz DNPJLJDPRJYFNZ-HNNXBMFYSA-N 0 3 351.516 2.238 20 30 FEEDHN C[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1Cc1ccccc1 ZINC000174430859 546296122 /nfs/dbraw/zinc/29/61/22/546296122.db2.gz YRCYEDCWTWCRNB-UWJYYQICSA-N 0 3 354.498 2.391 20 30 FEEDHN CN1CCN(CCCNC(=O)NCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000479820269 561197771 /nfs/dbraw/zinc/19/77/71/561197771.db2.gz XIIVBKCWSXWQEO-SFHVURJKSA-N 0 3 357.502 2.214 20 30 FEEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000176076868 546403108 /nfs/dbraw/zinc/40/31/08/546403108.db2.gz GZAMQNJSLDYWHC-UHFFFAOYSA-N 0 3 368.412 2.322 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000480460716 561209832 /nfs/dbraw/zinc/20/98/32/561209832.db2.gz LBOOFKLYRMBQQH-ZDUSSCGKSA-N 0 3 357.497 2.245 20 30 FEEDHN CC(C)(CNS(=O)(=O)Cc1ccc(C#N)cc1F)N1CCCCC1 ZINC000481024660 561223149 /nfs/dbraw/zinc/22/31/49/561223149.db2.gz NYZLSTWLGRBFEM-UHFFFAOYSA-N 0 3 353.463 2.381 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000481880094 561244573 /nfs/dbraw/zinc/24/45/73/561244573.db2.gz SKPLIKPQOLOJFB-DLBZAZTESA-N 0 3 373.497 2.104 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000481880096 561244656 /nfs/dbraw/zinc/24/46/56/561244656.db2.gz SKPLIKPQOLOJFB-IRXDYDNUSA-N 0 3 373.497 2.104 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000179828243 547017924 /nfs/dbraw/zinc/01/79/24/547017924.db2.gz RQVRMDZRZGUHHB-UHFFFAOYSA-N 0 3 374.384 2.264 20 30 FEEDHN COCCOC[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215732 547069427 /nfs/dbraw/zinc/06/94/27/547069427.db2.gz LTGBRVFKBVWDTH-QGZVFWFLSA-N 0 3 354.454 2.444 20 30 FEEDHN CC(=O)N1CC[C@H](CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180288278 547079877 /nfs/dbraw/zinc/07/98/77/547079877.db2.gz OLFVWIHWEDTTCR-QGZVFWFLSA-N 0 3 351.454 2.259 20 30 FEEDHN CC#CCCNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000482867230 561261762 /nfs/dbraw/zinc/26/17/62/561261762.db2.gz HRLMGMYVYVYXER-UHFFFAOYSA-N 0 3 356.514 2.297 20 30 FEEDHN C[C@H]1OCC[C@H]1N(CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000483315586 561273965 /nfs/dbraw/zinc/27/39/65/561273965.db2.gz OYDAWPSSFYRJCP-MLGOLLRUSA-N 0 3 351.834 2.012 20 30 FEEDHN CC[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(OC)cc1 ZINC000181822621 547387337 /nfs/dbraw/zinc/38/73/37/547387337.db2.gz CBUOORHVARGKOP-VQTJNVASSA-N 0 3 372.513 2.428 20 30 FEEDHN C[C@H](NCCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(C#N)c1 ZINC000181982332 547417419 /nfs/dbraw/zinc/41/74/19/547417419.db2.gz LRDOUNAWISOCAM-KRWDZBQOSA-N 0 3 363.465 2.343 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000484116137 561291878 /nfs/dbraw/zinc/29/18/78/561291878.db2.gz PGJYILXSOBZBDP-UHFFFAOYSA-N 0 3 372.513 2.498 20 30 FEEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000183186215 547618142 /nfs/dbraw/zinc/61/81/42/547618142.db2.gz RSQZOVKKHQJYEY-QWFCFKBJSA-N 0 3 370.472 2.266 20 30 FEEDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484650569 561302304 /nfs/dbraw/zinc/30/23/04/561302304.db2.gz MSIZHZYWDLQJOA-ZTFGCOKTSA-N 0 3 363.433 2.244 20 30 FEEDHN CCO[C@H]1COCC[C@@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000484615172 561301060 /nfs/dbraw/zinc/30/10/60/561301060.db2.gz LIGCFRSNKDWADL-IRXDYDNUSA-N 0 3 365.861 2.370 20 30 FEEDHN CCN(CCO)CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000183920567 547740050 /nfs/dbraw/zinc/74/00/50/547740050.db2.gz KMKNHEMKRPFFFD-UHFFFAOYSA-N 0 3 367.449 2.181 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1C#N ZINC000184546246 547843037 /nfs/dbraw/zinc/84/30/37/547843037.db2.gz MNSHLDAFYXGXCE-MRXNPFEDSA-N 0 3 373.501 2.493 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCN(c3ccccn3)CC2)CC1 ZINC000186439848 548135698 /nfs/dbraw/zinc/13/56/98/548135698.db2.gz MTRVOFNYEAPIDW-UHFFFAOYSA-N 0 3 357.502 2.344 20 30 FEEDHN CCN1CCN(CCCCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186912285 548216626 /nfs/dbraw/zinc/21/66/26/548216626.db2.gz KVEOJTGUSKIJJW-UHFFFAOYSA-N 0 3 354.498 2.124 20 30 FEEDHN C#CCN1CCC(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000188369919 548277863 /nfs/dbraw/zinc/27/78/63/548277863.db2.gz KVBUQRINHWAMME-UHFFFAOYSA-N 0 3 361.486 2.015 20 30 FEEDHN CCc1nnc(C2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)[nH]1 ZINC000190692283 548332898 /nfs/dbraw/zinc/33/28/98/548332898.db2.gz WVZUTLIJQNGCDJ-AWEZNQCLSA-N 0 3 358.490 2.278 20 30 FEEDHN C=CCN(CCOC)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190836636 548335261 /nfs/dbraw/zinc/33/52/61/548335261.db2.gz PLRFDSAQNBAKAM-LJQANCHMSA-N 0 3 361.486 2.122 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CN(C)C(=O)OCc2ccccc2)CC1 ZINC000191237566 548342909 /nfs/dbraw/zinc/34/29/09/548342909.db2.gz ZDYDXRTXDHTHMN-UHFFFAOYSA-N 0 3 359.470 2.412 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192066485 548357307 /nfs/dbraw/zinc/35/73/07/548357307.db2.gz SWXZTGPKMGYMDO-BYCMXARLSA-N 0 3 351.834 2.160 20 30 FEEDHN CN(Cc1ccccc1S(N)(=O)=O)C(=O)C(C#N)CCc1ccccc1 ZINC000486373181 561345549 /nfs/dbraw/zinc/34/55/49/561345549.db2.gz KVINNGAYGGBZCN-INIZCTEOSA-N 0 3 371.462 2.065 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC[C@@H]3CN(C)C)CC2)o1 ZINC000193153066 548381401 /nfs/dbraw/zinc/38/14/01/548381401.db2.gz MMVHGACPGKBSIW-MRXNPFEDSA-N 0 3 359.474 2.014 20 30 FEEDHN N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000193935444 548408687 /nfs/dbraw/zinc/40/86/87/548408687.db2.gz ZCHIRGRCQAZVAU-FQEVSTJZSA-N 0 3 352.482 2.270 20 30 FEEDHN COCCOC[C@@H]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245439818 548920414 /nfs/dbraw/zinc/92/04/14/548920414.db2.gz GAJSIWJJTBCTDK-SFANZJOMSA-N 0 3 365.518 2.291 20 30 FEEDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000246097169 549051464 /nfs/dbraw/zinc/05/14/64/549051464.db2.gz LLGSXRYSKJGCON-OLZOCXBDSA-N 0 3 353.875 2.459 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489770959 561418766 /nfs/dbraw/zinc/41/87/66/561418766.db2.gz HIRWNLXQRWTYAK-CYBMUJFWSA-N 0 3 371.407 2.380 20 30 FEEDHN Cc1nc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C#N ZINC000263725079 549926711 /nfs/dbraw/zinc/92/67/11/549926711.db2.gz FGISTZFYSHJDNU-HUUCEWRRSA-N 0 3 356.470 2.223 20 30 FEEDHN CCOc1ccc(NC(=O)CON=C(N)c2ccc(CN(C)C)cc2)cc1 ZINC000267008393 550026874 /nfs/dbraw/zinc/02/68/74/550026874.db2.gz LHJCUVICHUIKOM-UHFFFAOYSA-N 0 3 370.453 2.423 20 30 FEEDHN COc1cc(/C=C/C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)ccc1OCC#N ZINC000268221152 550037892 /nfs/dbraw/zinc/03/78/92/550037892.db2.gz LYCZXGGHCOYYJF-YDCQGFNMSA-N 0 3 355.438 2.210 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269682779 550216252 /nfs/dbraw/zinc/21/62/52/550216252.db2.gz NBMBZMKFBSPYAT-QGZVFWFLSA-N 0 3 369.513 2.120 20 30 FEEDHN C#CC[C@@H](NC(=O)NC[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC000270478416 550275944 /nfs/dbraw/zinc/27/59/44/550275944.db2.gz WFMNZWNDEOLZNT-AZUAARDMSA-N 0 3 356.514 2.324 20 30 FEEDHN C[C@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000272144844 550425417 /nfs/dbraw/zinc/42/54/17/550425417.db2.gz UCHAALCRNWGCOR-LRDDRELGSA-N 0 3 368.359 2.423 20 30 FEEDHN CS[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1N1CCCC1 ZINC000273573040 550503672 /nfs/dbraw/zinc/50/36/72/550503672.db2.gz ZUBNYFGMSFQBGD-ROUUACIJSA-N 0 3 359.495 2.170 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCCCCS(C)(=O)=O)C(C)C ZINC000274896803 550563174 /nfs/dbraw/zinc/56/31/74/550563174.db2.gz FGNZFQWUFFPLQF-KRWDZBQOSA-N 0 3 373.563 2.199 20 30 FEEDHN C=CC[C@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000275351363 550571850 /nfs/dbraw/zinc/57/18/50/550571850.db2.gz SEIAKFQZIYYSOF-OALUTQOASA-N 0 3 357.498 2.405 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000276057392 550576221 /nfs/dbraw/zinc/57/62/21/550576221.db2.gz KKFVUTQYOMIAQB-OAHLLOKOSA-N 0 3 357.454 2.347 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000277582450 550687591 /nfs/dbraw/zinc/68/75/91/550687591.db2.gz OOVUDJBSNZKXLD-RBBKRZOGSA-N 0 3 372.484 2.361 20 30 FEEDHN OCC[C@H](NCC#CCN[C@@H](CCO)c1ccccc1)c1ccccc1 ZINC000278693267 550811923 /nfs/dbraw/zinc/81/19/23/550811923.db2.gz SKGYVEQRRSHBOJ-VXKWHMMOSA-N 0 3 352.478 2.416 20 30 FEEDHN CC1(C)C[C@H](NCCNC(=O)C2N=CC=CC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279036468 550849309 /nfs/dbraw/zinc/84/93/09/550849309.db2.gz IYDJQCXLIKHAEZ-DVEDPGPFSA-N 0 3 370.409 2.433 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000279369196 550882129 /nfs/dbraw/zinc/88/21/29/550882129.db2.gz IPQYVNOTINOPFC-CQSZACIVSA-N 0 3 373.501 2.242 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000279398690 550885742 /nfs/dbraw/zinc/88/57/42/550885742.db2.gz UWNKCWMBAPIGSK-IBGZPJMESA-N 0 3 372.428 2.449 20 30 FEEDHN COCCO[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279482074 550895059 /nfs/dbraw/zinc/89/50/59/550895059.db2.gz WWHMJTHHXGFKHC-SFHVURJKSA-N 0 3 355.442 2.096 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000279883272 550939093 /nfs/dbraw/zinc/93/90/93/550939093.db2.gz CVJPKKWXVIHUEZ-WOJBJXKFSA-N 0 3 365.481 2.493 20 30 FEEDHN CCOC(=O)c1csc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000280144256 550965026 /nfs/dbraw/zinc/96/50/26/550965026.db2.gz ALEWTDCYBXMUOR-AWEZNQCLSA-N 0 3 368.418 2.190 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000280618883 551014024 /nfs/dbraw/zinc/01/40/24/551014024.db2.gz KUSHTXJGGBAHAZ-UHFFFAOYSA-N 0 3 353.422 2.346 20 30 FEEDHN C#CCN1CCC(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)CC1 ZINC000280897714 551043574 /nfs/dbraw/zinc/04/35/74/551043574.db2.gz BKOSMFLUKCNVII-TZIWHRDSSA-N 0 3 351.494 2.475 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000280991529 551052390 /nfs/dbraw/zinc/05/23/90/551052390.db2.gz JTRGITCTDKDVLJ-SFHVURJKSA-N 0 3 353.422 2.481 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000280991526 551052433 /nfs/dbraw/zinc/05/24/33/551052433.db2.gz JTRGITCTDKDVLJ-GOSISDBHSA-N 0 3 353.422 2.481 20 30 FEEDHN CCCN(CCN(C)C)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000496246409 561493254 /nfs/dbraw/zinc/49/32/54/561493254.db2.gz SPEFGMIPKULCMW-SFHVURJKSA-N 0 3 357.502 2.278 20 30 FEEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000282142013 551186201 /nfs/dbraw/zinc/18/62/01/551186201.db2.gz BOOFKNKCGLYPDS-UHFFFAOYSA-N 0 3 368.485 2.075 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CCC(=O)Nc2ccccc2C#N)O1 ZINC000282348783 551215191 /nfs/dbraw/zinc/21/51/91/551215191.db2.gz CLQRKYMBYDMHLX-LIRZEXBASA-N 0 3 371.437 2.070 20 30 FEEDHN N#CC1CCC(CNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000282573068 551247588 /nfs/dbraw/zinc/24/75/88/551247588.db2.gz DESPQCCDUXTZKH-LBXVMSDZSA-N 0 3 370.497 2.382 20 30 FEEDHN CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C[C@@H]1C#N ZINC000282895312 551282646 /nfs/dbraw/zinc/28/26/46/551282646.db2.gz XOXNMTOBTNPTPD-RBUKOAKNSA-N 0 3 369.513 2.136 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000283285052 551342150 /nfs/dbraw/zinc/34/21/50/551342150.db2.gz LAIMXEJDDZTOQL-UHFFFAOYSA-N 0 3 370.280 2.376 20 30 FEEDHN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC000283342107 551350526 /nfs/dbraw/zinc/35/05/26/551350526.db2.gz RNEMALBTQZKCJL-UHFFFAOYSA-N 0 3 370.501 2.161 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000283448167 551367525 /nfs/dbraw/zinc/36/75/25/551367525.db2.gz KGBNQRRKNHRLIG-CQSZACIVSA-N 0 3 355.438 2.377 20 30 FEEDHN C[C@@H]1CN(CC2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000283722917 551416268 /nfs/dbraw/zinc/41/62/68/551416268.db2.gz GNYSSJXQDYZIPI-ZIAGYGMSSA-N 0 3 373.457 2.374 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)C(=O)NCCCCC#N)c1cccc(OC)c1 ZINC000283884326 551443796 /nfs/dbraw/zinc/44/37/96/551443796.db2.gz DCWOVCGMGKTKFX-SFHVURJKSA-N 0 3 374.485 2.004 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000283990846 551463483 /nfs/dbraw/zinc/46/34/83/551463483.db2.gz JHJGEHDEJXXVJV-QGZVFWFLSA-N 0 3 370.497 2.143 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](CC)c2ccc(OC)cc2)CC1 ZINC000284171603 551497795 /nfs/dbraw/zinc/49/77/95/551497795.db2.gz NWKUWBKVIRJWQA-GOSISDBHSA-N 0 3 359.470 2.029 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCC1(C)C ZINC000498525652 561526891 /nfs/dbraw/zinc/52/68/91/561526891.db2.gz LDAKOQNLIBZERQ-SFHVURJKSA-N 0 3 370.497 2.143 20 30 FEEDHN C[C@](C#N)(NC(=O)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)C1CC1 ZINC000286189077 551858947 /nfs/dbraw/zinc/85/89/47/551858947.db2.gz XLCAFJCSVRAORF-ANTGDGSKSA-N 0 3 353.466 2.299 20 30 FEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286246631 551865273 /nfs/dbraw/zinc/86/52/73/551865273.db2.gz MJSQLLWQEJTFRL-UWWQBHOKSA-N 0 3 358.461 2.322 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCN1C ZINC000286321926 551874199 /nfs/dbraw/zinc/87/41/99/551874199.db2.gz QAYSBBIERAPKKM-HYVNUMGLSA-N 0 3 358.461 2.465 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000286367062 551879527 /nfs/dbraw/zinc/87/95/27/551879527.db2.gz CERXXQCOLCMYFT-KUHUBIRLSA-N 0 3 373.472 2.332 20 30 FEEDHN C=CCN1CCC(NCc2ncc(I)s2)CC1 ZINC000286386029 551881852 /nfs/dbraw/zinc/88/18/52/551881852.db2.gz GUMNETNXODPYRA-UHFFFAOYSA-N 0 3 363.268 2.488 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC000286505539 551893892 /nfs/dbraw/zinc/89/38/92/551893892.db2.gz KQODWGIUOHEUDX-UHFFFAOYSA-N 0 3 373.497 2.199 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCc2cc(C)cc(C)c2)CC1 ZINC000286508266 551894355 /nfs/dbraw/zinc/89/43/55/551894355.db2.gz KUGSUNRQASBFPZ-UHFFFAOYSA-N 0 3 357.498 2.119 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000286661589 551912020 /nfs/dbraw/zinc/91/20/20/551912020.db2.gz NXCGVWMKDATEIR-DLBZAZTESA-N 0 3 357.498 2.452 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)C[C@@H](C)c2ccccc2)CC1 ZINC000286719909 551918479 /nfs/dbraw/zinc/91/84/79/551918479.db2.gz QWVIPLXPETZSLT-QGZVFWFLSA-N 0 3 357.498 2.405 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccc(C)c2)CC1 ZINC000286803048 551927558 /nfs/dbraw/zinc/92/75/58/551927558.db2.gz VBJNJYVKVCXWKV-IBGZPJMESA-N 0 3 355.482 2.425 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000286853177 551933487 /nfs/dbraw/zinc/93/34/87/551933487.db2.gz YYTYGXYVICAHMN-UHFFFAOYSA-N 0 3 367.852 2.204 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000287018011 551952355 /nfs/dbraw/zinc/95/23/55/551952355.db2.gz JNUSAHBCUUPTDI-MRXNPFEDSA-N 0 3 361.511 2.277 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCSCC2)cc1 ZINC000287078733 551960844 /nfs/dbraw/zinc/96/08/44/551960844.db2.gz IGJRIBSCNVNMLV-LBPRGKRZSA-N 0 3 353.469 2.343 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCOCC2)cc1 ZINC000287333298 551990962 /nfs/dbraw/zinc/99/09/62/551990962.db2.gz OXJXDVISPJQYKS-CHWSQXEVSA-N 0 3 351.428 2.063 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]2CCO)cc1 ZINC000287402525 551999537 /nfs/dbraw/zinc/99/95/37/551999537.db2.gz SWAIGQXEUVPRIA-DVOMOZLQSA-N 0 3 365.455 2.045 20 30 FEEDHN CCOC(=O)CC(C)(C)CCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000287756740 552042733 /nfs/dbraw/zinc/04/27/33/552042733.db2.gz LZGVPRIGOINSSE-HNNXBMFYSA-N 0 3 359.474 2.228 20 30 FEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288187114 552106619 /nfs/dbraw/zinc/10/66/19/552106619.db2.gz BFTPKKAHFRAIAP-DLBZAZTESA-N 0 3 358.461 2.324 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)C2CCCC2)cc1 ZINC000289978639 552408674 /nfs/dbraw/zinc/40/86/74/552408674.db2.gz XTHTUISJRRJVHM-LRDDRELGSA-N 0 3 365.455 2.045 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)C(C)C ZINC000290346779 552464303 /nfs/dbraw/zinc/46/43/03/552464303.db2.gz YAGNZYSSXVDFAV-KRWDZBQOSA-N 0 3 373.501 2.051 20 30 FEEDHN C=C(C)Cn1c(SC[C@@H](O)CN(C)C2CC2)nnc1-c1ccncc1 ZINC000290728552 552527305 /nfs/dbraw/zinc/52/73/05/552527305.db2.gz FSIQGPHTUAFKHT-INIZCTEOSA-N 0 3 359.499 2.463 20 30 FEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Br)nc1 ZINC000290856559 552550514 /nfs/dbraw/zinc/55/05/14/552550514.db2.gz ZXEIWDOGKVVBLC-PQJBRBTKSA-N 0 3 365.231 2.021 20 30 FEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000291742706 552657197 /nfs/dbraw/zinc/65/71/97/552657197.db2.gz YWBNVAMASZNZKF-DLBZAZTESA-N 0 3 359.474 2.092 20 30 FEEDHN COc1cc(O)c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OC ZINC000291823183 552665293 /nfs/dbraw/zinc/66/52/93/552665293.db2.gz FEOLWYYWKMNJJP-OAHLLOKOSA-N 0 3 355.394 2.329 20 30 FEEDHN CC(C)N(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(N)=O ZINC000292717227 552752206 /nfs/dbraw/zinc/75/22/06/552752206.db2.gz RUMOWFKZYZWKCQ-LBPRGKRZSA-N 0 3 362.499 2.269 20 30 FEEDHN CC(C)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCC1 ZINC000293238671 552802066 /nfs/dbraw/zinc/80/20/66/552802066.db2.gz YULKXLNNVISGPO-QGZVFWFLSA-N 0 3 350.484 2.109 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000293483570 552828254 /nfs/dbraw/zinc/82/82/54/552828254.db2.gz VVUVRMLNIQAERV-UHFFFAOYSA-N 0 3 365.861 2.137 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000293892169 552865408 /nfs/dbraw/zinc/86/54/08/552865408.db2.gz DPCAGYBUVDCUAP-UHFFFAOYSA-N 0 3 361.445 2.226 20 30 FEEDHN C=CCOc1ccc(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)cc1OC ZINC000294005875 552874736 /nfs/dbraw/zinc/87/47/36/552874736.db2.gz XXZWWPSTBQOHQK-DLBZAZTESA-N 0 3 360.454 2.195 20 30 FEEDHN C=CCOc1ccc(CC(=O)NCCCN2CCC(C(=O)OC)CC2)cc1 ZINC000294388787 552902106 /nfs/dbraw/zinc/90/21/06/552902106.db2.gz HUBKYXZPLXFERK-UHFFFAOYSA-N 0 3 374.481 2.185 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000502834266 561626905 /nfs/dbraw/zinc/62/69/05/561626905.db2.gz RFLZGEXKQSIRBM-ZNMIVQPWSA-N 0 3 374.510 2.381 20 30 FEEDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000502850947 561627632 /nfs/dbraw/zinc/62/76/32/561627632.db2.gz BVDVNESQKZGLJX-DLBZAZTESA-N 0 3 356.470 2.054 20 30 FEEDHN CCCN(CCN(CC)CC)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000297921290 553357779 /nfs/dbraw/zinc/35/77/79/553357779.db2.gz CXTFLBZWPBMOEB-UHFFFAOYSA-N 0 3 358.486 2.097 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](CNC(C)=O)C1)C(C)C ZINC000299349741 553551378 /nfs/dbraw/zinc/55/13/78/553551378.db2.gz QGMJBUOONXBJRB-MOPGFXCFSA-N 0 3 364.534 2.243 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000299546436 553579100 /nfs/dbraw/zinc/57/91/00/553579100.db2.gz BZKIUIJKOWDSBB-UHFFFAOYSA-N 0 3 365.271 2.419 20 30 FEEDHN N#Cc1ccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(C(F)(F)F)c1 ZINC000301971373 553695168 /nfs/dbraw/zinc/69/51/68/553695168.db2.gz SFBFNFYGARREPF-INIZCTEOSA-N 0 3 366.387 2.496 20 30 FEEDHN COc1cccc([C@@H]2C[C@H](O)CN2CC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000328664761 553804222 /nfs/dbraw/zinc/80/42/22/553804222.db2.gz YUIPNNZKEHDPHM-ICSRJNTNSA-N 0 3 373.497 2.386 20 30 FEEDHN O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000328689095 553807842 /nfs/dbraw/zinc/80/78/42/553807842.db2.gz CWRXOZVVSFYJGW-OAHLLOKOSA-N 0 3 362.499 2.106 20 30 FEEDHN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C2CCN(C3CC3)CC2)CC(=O)N1C ZINC000328744409 553815591 /nfs/dbraw/zinc/81/55/91/553815591.db2.gz KNKQECJQOJTVLL-VQIMIIECSA-N 0 3 373.501 2.140 20 30 FEEDHN CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000328772847 553820259 /nfs/dbraw/zinc/82/02/59/553820259.db2.gz BIYHYCGHZMZUQH-INIZCTEOSA-N 0 3 357.520 2.164 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000328815662 553826860 /nfs/dbraw/zinc/82/68/60/553826860.db2.gz OHADGGVHQCQHOW-KRWDZBQOSA-N 0 3 350.507 2.109 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000328940854 553849574 /nfs/dbraw/zinc/84/95/74/553849574.db2.gz FDBOOPAYJWAGBJ-CEXWTWQISA-N 0 3 365.518 2.086 20 30 FEEDHN O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328955832 553852814 /nfs/dbraw/zinc/85/28/14/553852814.db2.gz ZBJXMTUCYFNWNC-CVEARBPZSA-N 0 3 356.426 2.076 20 30 FEEDHN O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328955832 553852819 /nfs/dbraw/zinc/85/28/19/553852819.db2.gz ZBJXMTUCYFNWNC-CVEARBPZSA-N 0 3 356.426 2.076 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1 ZINC000328999605 553862224 /nfs/dbraw/zinc/86/22/24/553862224.db2.gz XECZFIGDMDVARN-CWLMSFPYSA-N 0 3 371.481 2.242 20 30 FEEDHN CC(C)[C@@H]1C[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CCO1 ZINC000329103711 553881052 /nfs/dbraw/zinc/88/10/52/553881052.db2.gz CGBKKXAAHCGELH-ROUUACIJSA-N 0 3 353.507 2.148 20 30 FEEDHN C[C@H](CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1)N(C)C1CC1 ZINC000329126719 553885264 /nfs/dbraw/zinc/88/52/64/553885264.db2.gz UKFLNGCRDAFJTK-OAHLLOKOSA-N 0 3 350.507 2.108 20 30 FEEDHN CN1CCOC[C@H]1C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000329131675 553886551 /nfs/dbraw/zinc/88/65/51/553886551.db2.gz OXKZILDVQOPEHC-RDJZCZTQSA-N 0 3 360.458 2.352 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000329144161 553888483 /nfs/dbraw/zinc/88/84/83/553888483.db2.gz WCKBLQNCIHHLQK-KBPBESRZSA-N 0 3 371.528 2.342 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000329180514 553896738 /nfs/dbraw/zinc/89/67/38/553896738.db2.gz DMJINVJVZXFASD-YTQUADARSA-N 0 3 359.470 2.416 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)c3c(F)cccc3Cl)[C@@H]2C1 ZINC000329257665 553912222 /nfs/dbraw/zinc/91/22/22/553912222.db2.gz CBNHPRDQMJOESZ-BXUZGUMPSA-N 0 3 353.825 2.336 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCc3cccc(Cn4ccnc4)c3)[C@@H]2C1 ZINC000329303444 553921358 /nfs/dbraw/zinc/92/13/58/553921358.db2.gz XHLYROKZVJXDGM-RTBURBONSA-N 0 3 353.470 2.371 20 30 FEEDHN COCc1ncc(C(=O)NCCN2CCC3(CCCCC3)CC2)c(N)n1 ZINC000329335953 553927773 /nfs/dbraw/zinc/92/77/73/553927773.db2.gz LNZKJKGQDUKWIP-UHFFFAOYSA-N 0 3 361.490 2.556 20 30 FEEDHN CC(C)c1nc([C@@H]2COCCN2C(=O)NC2CCN(C3CC3)CC2)no1 ZINC000329358338 553931402 /nfs/dbraw/zinc/93/14/02/553931402.db2.gz XBLYXIXXTQMMCH-HNNXBMFYSA-N 0 3 363.462 2.107 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000329510344 553960253 /nfs/dbraw/zinc/96/02/53/553960253.db2.gz KAKKQHJKHOGOPI-NZSAHSFTSA-N 0 3 359.470 2.416 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@@]12CCCO2 ZINC000329543237 553965111 /nfs/dbraw/zinc/96/51/11/553965111.db2.gz YFCBTECTXGOXIN-BMFAXAFESA-N 0 3 352.475 2.313 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCCc3ccc(-n4cccn4)cc3)[C@H]2C1 ZINC000329590056 553972746 /nfs/dbraw/zinc/97/27/46/553972746.db2.gz ZNRVHDUFXMRCAT-MJGOQNOKSA-N 0 3 353.470 2.355 20 30 FEEDHN C[C@H](NC(=O)N1CCC[C@H](S(C)(=O)=O)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000329752303 553999982 /nfs/dbraw/zinc/99/99/82/553999982.db2.gz WEPCUBGGRTXPGW-ZOBUZTSGSA-N 0 3 371.547 2.062 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3nc4ccccc4o3)CC2)CCN1C ZINC000329794526 554007652 /nfs/dbraw/zinc/00/76/52/554007652.db2.gz CCCMAFXMPSXEHJ-CABCVRRESA-N 0 3 357.458 2.347 20 30 FEEDHN C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000329802524 554008729 /nfs/dbraw/zinc/00/87/29/554008729.db2.gz ZDPIPHRVRBLDET-IKGGRYGDSA-N 0 3 371.547 2.064 20 30 FEEDHN CCCN1CC[C@@H](CNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000329821469 554012488 /nfs/dbraw/zinc/01/24/88/554012488.db2.gz PUQLEDJWDYOMLX-INIZCTEOSA-N 0 3 371.547 2.066 20 30 FEEDHN CCN1CCCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1=O ZINC000329869236 554022429 /nfs/dbraw/zinc/02/24/29/554022429.db2.gz YMMWGZZHPSBORL-FUHWJXTLSA-N 0 3 358.486 2.290 20 30 FEEDHN CC1CCN([C@H](CNC(=O)N[C@H]2CC(=O)N(C)C2)c2ccccc2)CC1 ZINC000329943854 554036951 /nfs/dbraw/zinc/03/69/51/554036951.db2.gz WKVRPIZQQBWFQZ-ZWKOTPCHSA-N 0 3 358.486 2.194 20 30 FEEDHN CC[C@@H](NC(=O)N1CCN(CC2CCOCC2)CC1)C1CCOCC1 ZINC000329948598 554037383 /nfs/dbraw/zinc/03/73/83/554037383.db2.gz KVSSVPAEPQTDOD-GOSISDBHSA-N 0 3 353.507 2.150 20 30 FEEDHN Cc1nnc2n1C[C@H](CNC(=O)N1CCN(C3CCCCC3)CC1)CC2 ZINC000330115569 554067152 /nfs/dbraw/zinc/06/71/52/554067152.db2.gz FSUXSLYDICKGTJ-INIZCTEOSA-N 0 3 360.506 2.013 20 30 FEEDHN Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCN(C3CCCCC3)CC1)CC2 ZINC000330115569 554067153 /nfs/dbraw/zinc/06/71/53/554067153.db2.gz FSUXSLYDICKGTJ-INIZCTEOSA-N 0 3 360.506 2.013 20 30 FEEDHN CC(C(=O)N[C@@H]1CCO[C@H]1c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000330157226 554075582 /nfs/dbraw/zinc/07/55/82/554075582.db2.gz PHKGVUIMIWZOMQ-XYPHTWIQSA-N 0 3 367.467 2.455 20 30 FEEDHN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000330219982 554087458 /nfs/dbraw/zinc/08/74/58/554087458.db2.gz PWAXTLXQIPCVLU-MSOLQXFVSA-N 0 3 353.507 2.006 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)c(Cl)c1 ZINC000330229294 554089380 /nfs/dbraw/zinc/08/93/80/554089380.db2.gz QBPUSOGLFBMZCU-GOSISDBHSA-N 0 3 358.873 2.487 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000330306739 554102856 /nfs/dbraw/zinc/10/28/56/554102856.db2.gz RRBFUGWLVGISHB-AYOQOUSVSA-N 0 3 359.470 2.416 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000330325584 554105549 /nfs/dbraw/zinc/10/55/49/554105549.db2.gz URZHWAMHLRKCJJ-HOCLYGCPSA-N 0 3 353.507 2.432 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C ZINC000330355714 554111016 /nfs/dbraw/zinc/11/10/16/554111016.db2.gz QVIKRNABZUHVGR-MDZRGWNJSA-N 0 3 373.501 2.303 20 30 FEEDHN CO[C@@H](C)c1nc(C)c(C(=O)NCCN2CCN(C)C(C)(C)C2)s1 ZINC000330419080 554119404 /nfs/dbraw/zinc/11/94/04/554119404.db2.gz PEUSWWGSVFNBKA-ZDUSSCGKSA-N 0 3 354.520 2.490 20 30 FEEDHN Cc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000330679298 554156141 /nfs/dbraw/zinc/15/61/41/554156141.db2.gz MPVRONSRONWLMM-AWEZNQCLSA-N 0 3 367.515 2.471 20 30 FEEDHN CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C)CCN1CCOC ZINC000508592681 561766977 /nfs/dbraw/zinc/76/69/77/561766977.db2.gz OIBOEZJYWDBQKA-GOSISDBHSA-N 0 3 368.485 2.291 20 30 FEEDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC000331306755 554244509 /nfs/dbraw/zinc/24/45/09/554244509.db2.gz VYHZYIRDMVHNBM-CYBMUJFWSA-N 0 3 353.413 2.437 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000509011805 561781358 /nfs/dbraw/zinc/78/13/58/561781358.db2.gz CJDLKHOSEFVAFF-KRWDZBQOSA-N 0 3 356.470 2.417 20 30 FEEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000509405973 561798079 /nfs/dbraw/zinc/79/80/79/561798079.db2.gz VVSWYDGPISHPDW-OAHLLOKOSA-N 0 3 372.560 2.371 20 30 FEEDHN CN1CCN(C(=O)CC2CCN(Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000332523689 554462337 /nfs/dbraw/zinc/46/23/37/554462337.db2.gz LRTZWDRHLHFDHY-UHFFFAOYSA-N 0 3 354.498 2.129 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000510483530 561836021 /nfs/dbraw/zinc/83/60/21/561836021.db2.gz AWHVXMCJQWQMCB-OCCSQVGLSA-N 0 3 353.875 2.459 20 30 FEEDHN C[C@@H]1NCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@H]1C ZINC000333822681 554646978 /nfs/dbraw/zinc/64/69/78/554646978.db2.gz RLIMUJAVNNIJKS-JCAIJIATSA-N 0 3 357.458 2.035 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000334080057 554675660 /nfs/dbraw/zinc/67/56/60/554675660.db2.gz QDLCVECXFZJEEW-IOASZLSFSA-N 0 3 365.455 2.045 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](Cc2ccccc2)N2CCCOC2=O)CC1 ZINC000360976296 554898489 /nfs/dbraw/zinc/89/84/89/554898489.db2.gz FQOKUCYZYDOJTD-IBGZPJMESA-N 0 3 371.481 2.207 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000361288070 554914853 /nfs/dbraw/zinc/91/48/53/554914853.db2.gz OEIPWMBDCFFWLL-MOPGFXCFSA-N 0 3 354.454 2.119 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511630232 561875411 /nfs/dbraw/zinc/87/54/11/561875411.db2.gz RZAMGLQIGXBBMQ-ZFWWWQNUSA-N 0 3 355.360 2.380 20 30 FEEDHN N#C[C@H]1CN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCN1C1CC1 ZINC000362983764 555004983 /nfs/dbraw/zinc/00/49/83/555004983.db2.gz KPENPRPXBDAAGT-PMACEKPBSA-N 0 3 367.497 2.205 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC#Cc1cccc(F)c1 ZINC000512185305 561895376 /nfs/dbraw/zinc/89/53/76/561895376.db2.gz OMRYIROXOLPIJK-INIZCTEOSA-N 0 3 359.445 2.072 20 30 FEEDHN CN1CCN(CC2(C)CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000364042190 555238826 /nfs/dbraw/zinc/23/88/26/555238826.db2.gz NNTRRYMSHXCGMF-UHFFFAOYSA-N 0 3 357.458 2.320 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000364615726 555353696 /nfs/dbraw/zinc/35/36/96/555353696.db2.gz GOXLVBCBXZHXTB-ZSZQSSIHSA-N 0 3 357.454 2.487 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](C(=O)OC)c3ccccc32)CC1 ZINC000364649938 555362986 /nfs/dbraw/zinc/36/29/86/555362986.db2.gz TVWWAIZNZCSAFI-ROUUACIJSA-N 0 3 357.454 2.338 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364715258 555383815 /nfs/dbraw/zinc/38/38/15/555383815.db2.gz CXBVCBBDQSHVIE-LPHOPBHVSA-N 0 3 368.481 2.040 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2nc[nH]n2)c2ccccc2)CC1 ZINC000364755107 555394407 /nfs/dbraw/zinc/39/44/07/555394407.db2.gz AMEZUHKOAMDIKZ-QGZVFWFLSA-N 0 3 354.458 2.234 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000512917613 561919888 /nfs/dbraw/zinc/91/98/88/561919888.db2.gz JZEHSMIZYXCUDR-UHFFFAOYSA-N 0 3 373.501 2.008 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000365222028 555515216 /nfs/dbraw/zinc/51/52/16/555515216.db2.gz JQICTYHTJAYSKC-HZPDHXFCSA-N 0 3 364.490 2.080 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000366090827 555748640 /nfs/dbraw/zinc/74/86/40/555748640.db2.gz ABOPFPOCQXFGKU-KRWDZBQOSA-N 0 3 359.449 2.330 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000366262533 555796390 /nfs/dbraw/zinc/79/63/90/555796390.db2.gz PLWWLFFDEKMULN-LAUBAEHRSA-N 0 3 363.392 2.500 20 30 FEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCN(c2cccnn2)CC1 ZINC000366371422 555825141 /nfs/dbraw/zinc/82/51/41/555825141.db2.gz ILZYAQFLHCXGES-SFHVURJKSA-N 0 3 374.448 2.158 20 30 FEEDHN N#CCCn1ccc(=NC(=O)NCCN2CCC3(CCCCC3)CC2)[nH]1 ZINC000366928065 555972996 /nfs/dbraw/zinc/97/29/96/555972996.db2.gz PVCQWJOAAOWREM-UHFFFAOYSA-N 0 3 358.490 2.965 20 30 FEEDHN C[C@H](NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000514875638 561984626 /nfs/dbraw/zinc/98/46/26/561984626.db2.gz KONKEJPAYYOQIY-OAGGEKHMSA-N 0 3 356.470 2.115 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000514894126 561985269 /nfs/dbraw/zinc/98/52/69/561985269.db2.gz UWFYWJVLWRIOLT-GJZGRUSLSA-N 0 3 362.522 2.301 20 30 FEEDHN C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N1CCCC1 ZINC000514991893 561990584 /nfs/dbraw/zinc/99/05/84/561990584.db2.gz LWAVPXMLLLVTFW-HIFRSBDPSA-N 0 3 374.872 2.165 20 30 FEEDHN Cc1ccc2ncc(C#N)c(N3CCC(N4CCC[C@@H]4C(N)=O)CC3)c2c1 ZINC000368147767 556230561 /nfs/dbraw/zinc/23/05/61/556230561.db2.gz IJYQSDDPTAAOKL-LJQANCHMSA-N 0 3 363.465 2.333 20 30 FEEDHN C#CCOc1ccc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000368225806 556252831 /nfs/dbraw/zinc/25/28/31/556252831.db2.gz XWPWGTMTMQGKHK-UHFFFAOYSA-N 0 3 369.509 2.188 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccnc(Oc2ccccc2F)c1 ZINC000515166163 561998600 /nfs/dbraw/zinc/99/86/00/561998600.db2.gz CCNBHPZGDIQVPJ-INIZCTEOSA-N 0 3 358.417 2.309 20 30 FEEDHN COCCCN1CCCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000368858743 556431284 /nfs/dbraw/zinc/43/12/84/556431284.db2.gz IPHVDKCBQYSIGW-UHFFFAOYSA-N 0 3 361.511 2.362 20 30 FEEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCCCNC1=O ZINC000368891369 556440355 /nfs/dbraw/zinc/44/03/55/556440355.db2.gz DBQGATORWVBOAG-HNNXBMFYSA-N 0 3 374.510 2.428 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2CN2CCCC2=O)CC1 ZINC000369200077 556533743 /nfs/dbraw/zinc/53/37/43/556533743.db2.gz DMISFOGCYGHAMP-SFHVURJKSA-N 0 3 362.518 2.213 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000369677305 556665839 /nfs/dbraw/zinc/66/58/39/556665839.db2.gz DVGMLZXGUHUZMJ-HOJAQTOUSA-N 0 3 367.474 2.482 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(CN2CCCC2=O)CC1 ZINC000369809363 556701034 /nfs/dbraw/zinc/70/10/34/556701034.db2.gz BTMLLURBGLPFEI-UHFFFAOYSA-N 0 3 357.454 2.280 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000370017841 556758963 /nfs/dbraw/zinc/75/89/63/556758963.db2.gz KZJXXUOAQZJYNZ-HXUWFJFHSA-N 0 3 369.490 2.219 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000370019021 556759317 /nfs/dbraw/zinc/75/93/17/556759317.db2.gz OCFAULJMJLXRAF-LJQANCHMSA-N 0 3 368.481 2.287 20 30 FEEDHN CN(C)C[C@@H]1CN(C(=O)COc2ccccc2C#N)c2ccccc2O1 ZINC000370503317 556892580 /nfs/dbraw/zinc/89/25/80/556892580.db2.gz RGMFTRHWBSPOLX-MRXNPFEDSA-N 0 3 351.406 2.293 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000370831449 556983518 /nfs/dbraw/zinc/98/35/18/556983518.db2.gz VAUDSPTWYIRBFT-WBVHZDCISA-N 0 3 364.449 2.445 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000517145911 562077388 /nfs/dbraw/zinc/07/73/88/562077388.db2.gz SPHPEJRDZCVDES-BBRMVZONSA-N 0 3 360.285 2.213 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371228720 557113256 /nfs/dbraw/zinc/11/32/56/557113256.db2.gz HRZHPFAUQQIFFM-YJBOKZPZSA-N 0 3 356.470 2.199 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2nc(CC(=O)OCC)cs2)CC1 ZINC000517383184 562087794 /nfs/dbraw/zinc/08/77/94/562087794.db2.gz IYADEXIUCOLYCQ-UHFFFAOYSA-N 0 3 352.460 2.021 20 30 FEEDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000517583294 562093107 /nfs/dbraw/zinc/09/31/07/562093107.db2.gz IYHVSWSHSLCYOG-GOSISDBHSA-N 0 3 354.454 2.123 20 30 FEEDHN Cc1cc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000372378219 557454968 /nfs/dbraw/zinc/45/49/68/557454968.db2.gz PVRSQTRDHLEUSL-YOEHRIQHSA-N 0 3 366.469 2.999 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000372553485 557502663 /nfs/dbraw/zinc/50/26/63/557502663.db2.gz PVTVXBQMEULBPE-UHFFFAOYSA-N 0 3 356.470 2.295 20 30 FEEDHN CC(=O)NCC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000519590886 562136102 /nfs/dbraw/zinc/13/61/02/562136102.db2.gz CXXDVIUDLVYMLA-MOPGFXCFSA-N 0 3 352.438 2.005 20 30 FEEDHN N#Cc1c(F)ccc(CNC[C@@]2(N3CCOCC3)CCCOC2)c1Cl ZINC000373030436 557613365 /nfs/dbraw/zinc/61/33/65/557613365.db2.gz WETPQDIWPCQQSK-SFHVURJKSA-N 0 3 367.852 2.322 20 30 FEEDHN COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000373181659 557645253 /nfs/dbraw/zinc/64/52/53/557645253.db2.gz VHZXSUJISGZNSW-INIZCTEOSA-N 0 3 361.398 2.305 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3CCCN(C(C)(C)C)CC3)cc2C1=O ZINC000520150394 562149682 /nfs/dbraw/zinc/14/96/82/562149682.db2.gz PMECAKOWMDGXGU-UHFFFAOYSA-N 0 3 369.465 2.415 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000373271700 557662758 /nfs/dbraw/zinc/66/27/58/557662758.db2.gz QYKPKTSPPVFBJM-WOJBJXKFSA-N 0 3 363.546 2.375 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)NCCCCN1CCN(C)CC1 ZINC000520472640 562157277 /nfs/dbraw/zinc/15/72/77/562157277.db2.gz PMHXISSBBQHXKT-UHFFFAOYSA-N 0 3 350.532 2.473 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000373863568 557775881 /nfs/dbraw/zinc/77/58/81/557775881.db2.gz SDOFAYFROAOASR-FQEVSTJZSA-N 0 3 353.422 2.169 20 30 FEEDHN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000374307361 557862920 /nfs/dbraw/zinc/86/29/20/557862920.db2.gz CQTQUOIRNFPUGX-UKRRQHHQSA-N 0 3 367.419 2.434 20 30 FEEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000521217020 562172024 /nfs/dbraw/zinc/17/20/24/562172024.db2.gz HSSISJFZLHAEPW-QXAKKESOSA-N 0 3 373.497 2.315 20 30 FEEDHN CN1CCC(Oc2ccc(CNC(=O)c3ccc(C#N)nc3)cc2)CC1 ZINC000375331828 558010366 /nfs/dbraw/zinc/01/03/66/558010366.db2.gz AAIRKCDCWPTKMO-UHFFFAOYSA-N 0 3 350.422 2.356 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000375770449 558079430 /nfs/dbraw/zinc/07/94/30/558079430.db2.gz UCVATNZYRKRKLU-GOEBONIOSA-N 0 3 363.483 2.024 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(N3CCOCC3)CCCC2)cc1 ZINC000376299023 558154298 /nfs/dbraw/zinc/15/42/98/558154298.db2.gz ADRRRWJOXKVDKR-IBGZPJMESA-N 0 3 366.465 2.002 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000376333221 558159214 /nfs/dbraw/zinc/15/92/14/558159214.db2.gz MZJBKIQINLHFMW-DLBZAZTESA-N 0 3 357.454 2.152 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000376333228 558159248 /nfs/dbraw/zinc/15/92/48/558159248.db2.gz MZJBKIQINLHFMW-SJORKVTESA-N 0 3 357.454 2.152 20 30 FEEDHN C=C(CNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000377006633 558250905 /nfs/dbraw/zinc/25/09/05/558250905.db2.gz SFGMHRLJPNTMJW-ICSRJNTNSA-N 0 3 356.514 2.367 20 30 FEEDHN CN(C(=O)[C@@H]1CC12CCN(C[C@@H](O)c1ccc(C#N)cc1)CC2)C1CC1 ZINC000377184630 558283744 /nfs/dbraw/zinc/28/37/44/558283744.db2.gz NDPSPYZRQWJLCK-RBUKOAKNSA-N 0 3 353.466 2.315 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000377239772 558296181 /nfs/dbraw/zinc/29/61/81/558296181.db2.gz RJXOZAWZLVHPFM-NHCUHLMSSA-N 0 3 368.525 2.042 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(CCN(C)C)C3CC3)C2)n1 ZINC000377305224 558310737 /nfs/dbraw/zinc/31/07/37/558310737.db2.gz COAXFRLLYXNDSM-QGZVFWFLSA-N 0 3 355.486 2.031 20 30 FEEDHN CN1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000377758141 558413343 /nfs/dbraw/zinc/41/33/43/558413343.db2.gz BIJKNKFDYRSMCU-PBHICJAKSA-N 0 3 368.462 2.367 20 30 FEEDHN Cn1c(Cl)cnc1CN1CCCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000378136919 558488646 /nfs/dbraw/zinc/48/86/46/558488646.db2.gz CQGVRCOPANAIRQ-KRWDZBQOSA-N 0 3 373.888 2.186 20 30 FEEDHN CN(C)C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)c2ccccc2O1 ZINC000378157283 558493053 /nfs/dbraw/zinc/49/30/53/558493053.db2.gz FRCMESRLGQWIIP-MRXNPFEDSA-N 0 3 356.470 2.158 20 30 FEEDHN C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CCN1C1CCN(C)CC1 ZINC000378366824 558540436 /nfs/dbraw/zinc/54/04/36/558540436.db2.gz PLMDSHLSWKURRJ-CYBMUJFWSA-N 0 3 362.424 2.077 20 30 FEEDHN Cc1cc(=NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)[nH]n1CCC#N ZINC000378510896 558572707 /nfs/dbraw/zinc/57/27/07/558572707.db2.gz JGKXZUVUESXTTG-GOSISDBHSA-N 0 3 366.469 2.843 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)C2)n1 ZINC000408288363 558664380 /nfs/dbraw/zinc/66/43/80/558664380.db2.gz XKIJDSMFHFQQST-RYQLBKOJSA-N 0 3 355.486 2.077 20 30 FEEDHN C=CCN(C)CCN(CC)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000411635117 558932862 /nfs/dbraw/zinc/93/28/62/558932862.db2.gz AWXLFEKSZWVDCZ-HNNXBMFYSA-N 0 3 354.292 2.415 20 30 FEEDHN Cc1cc(NC(=O)C(=O)Nc2cccc(C#N)c2)ccc1OCCN(C)C ZINC000411667349 558939463 /nfs/dbraw/zinc/93/94/63/558939463.db2.gz BMWSDLXGTCPJJO-UHFFFAOYSA-N 0 3 366.421 2.384 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(=O)N2Cc3ccccc3C2)CC1 ZINC000525979588 562262064 /nfs/dbraw/zinc/26/20/64/562262064.db2.gz JKDLAEOFNJQFGG-INIZCTEOSA-N 0 3 370.497 2.257 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)[nH]c1C ZINC000412650980 559048525 /nfs/dbraw/zinc/04/85/25/559048525.db2.gz CDMYXFCILSASNI-YLJYHZDGSA-N 0 3 366.465 2.462 20 30 FEEDHN C=CCCN(C)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413830107 559133229 /nfs/dbraw/zinc/13/32/29/559133229.db2.gz DJRWLEZXOLLICP-UHFFFAOYSA-N 0 3 358.486 2.101 20 30 FEEDHN N#Cc1ccccc1COc1cccc(CN2CC[C@H](O)[C@@H](CO)C2)c1 ZINC000414551517 559171202 /nfs/dbraw/zinc/17/12/02/559171202.db2.gz BNIMPCQPZNETME-CTNGQTDRSA-N 0 3 352.434 2.312 20 30 FEEDHN Cc1cc(=NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](N)C2)[nH]n1CCC#N ZINC000415381718 559229458 /nfs/dbraw/zinc/22/94/58/559229458.db2.gz IVKRVBFZUMXXRQ-SJORKVTESA-N 0 3 370.432 2.593 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H](C)CN1 ZINC000415465017 559240014 /nfs/dbraw/zinc/24/00/14/559240014.db2.gz SAUFEKHFXLUGTR-VXGBXAGGSA-N 0 3 358.833 2.611 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H](CN)C2CCCC2)cc1C(F)(F)F ZINC000415838575 559277102 /nfs/dbraw/zinc/27/71/02/559277102.db2.gz LNMOKFJSCKVMKO-CQSZACIVSA-N 0 3 368.359 2.149 20 30 FEEDHN CN(C)[C@@H](CC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000416207556 559298365 /nfs/dbraw/zinc/29/83/65/559298365.db2.gz WFXATAUXQBVYGN-IBGZPJMESA-N 0 3 363.465 2.295 20 30 FEEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CNCCC1(F)F ZINC000416938621 559339230 /nfs/dbraw/zinc/33/92/30/559339230.db2.gz BIBLTAKFDXQRCN-ZDUSSCGKSA-N 0 3 361.314 2.353 20 30 FEEDHN C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)CN1 ZINC000417583888 559367954 /nfs/dbraw/zinc/36/79/54/559367954.db2.gz WZLHWUXACUPGGH-YCPHGPKFSA-N 0 3 359.449 2.058 20 30 FEEDHN N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418441979 559401824 /nfs/dbraw/zinc/40/18/24/559401824.db2.gz DBGGDDFFYJTFRT-GOSISDBHSA-N 0 3 367.428 2.229 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418450242 559402235 /nfs/dbraw/zinc/40/22/35/559402235.db2.gz LIJHXKYCLUJVDV-LJQANCHMSA-N 0 3 352.438 2.416 20 30 FEEDHN C=CCC[C@@H]1NC(=O)N(Cc2ccc(CN3CCN(CC)CC3)cc2)C1=O ZINC000419924049 559464725 /nfs/dbraw/zinc/46/47/25/559464725.db2.gz MNALXYZWCGVDBZ-IBGZPJMESA-N 0 3 370.497 2.211 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419965526 559466710 /nfs/dbraw/zinc/46/67/10/559466710.db2.gz JWBIIHBLXRTOTC-IBGZPJMESA-N 0 3 368.481 2.097 20 30 FEEDHN C=CCC[C@H]1NC(=O)N(Cc2ccc(CN3CCC(O)CC3)cc2)C1=O ZINC000420004844 559468560 /nfs/dbraw/zinc/46/85/60/559468560.db2.gz WAMMESCUCFHQQJ-GOSISDBHSA-N 0 3 357.454 2.030 20 30 FEEDHN CC1(C#N)CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420067494 559471038 /nfs/dbraw/zinc/47/10/38/559471038.db2.gz YHJKEEYKUVZOAC-GOSISDBHSA-N 0 3 364.449 2.108 20 30 FEEDHN Cc1cc(NC(=O)C(=O)NCc2ccc(C#N)s2)ccc1CN(C)C ZINC000421249950 559533482 /nfs/dbraw/zinc/53/34/82/559533482.db2.gz VXYKZXMDRMXYGA-UHFFFAOYSA-N 0 3 356.451 2.245 20 30 FEEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NCC(C)(C)CC#N ZINC000422485936 559591206 /nfs/dbraw/zinc/59/12/06/559591206.db2.gz FCTWYBZUKJWXHP-UHFFFAOYSA-N 0 3 358.486 2.153 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000422536670 559593469 /nfs/dbraw/zinc/59/34/69/559593469.db2.gz DDSLCNHCZPBYKK-QRQLOZEOSA-N 0 3 357.498 2.231 20 30 FEEDHN C=C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](N)C1 ZINC000423553675 559631814 /nfs/dbraw/zinc/63/18/14/559631814.db2.gz DMCZUKQEWPUYBQ-OKZBNKHCSA-N 0 3 359.445 2.036 20 30 FEEDHN COc1cc(CNC(=O)[C@H](N)CCCC#N)cc(Br)c1OC ZINC000424109717 559654996 /nfs/dbraw/zinc/65/49/96/559654996.db2.gz BBGAIZDLOLDRIZ-GFCCVEGCSA-N 0 3 370.247 2.104 20 30 FEEDHN COc1ccc(C)cc1C1(CNC(=O)[C@@H](N)CCCC#N)CCOCC1 ZINC000424108683 559655031 /nfs/dbraw/zinc/65/50/31/559655031.db2.gz XVZQQPYTLPILLP-KRWDZBQOSA-N 0 3 359.470 2.189 20 30 FEEDHN CCN1CC[C@H](NC(=O)[C@H](N)CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424178530 559656918 /nfs/dbraw/zinc/65/69/18/559656918.db2.gz WVXWKXIGWKOIHE-HLLBOEOZSA-N 0 3 368.403 2.377 20 30 FEEDHN C=CCC1(C(=O)N(CCC)CCN2CCN(CC)CC2)CCOCC1 ZINC000424820565 559677682 /nfs/dbraw/zinc/67/76/82/559677682.db2.gz CLWOXXIVKREIPQ-UHFFFAOYSA-N 0 3 351.535 2.235 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000424928798 559680239 /nfs/dbraw/zinc/68/02/39/559680239.db2.gz AIZNLDRQFMLHHR-ICSRJNTNSA-N 0 3 357.498 2.214 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)nn1 ZINC000425423106 559701291 /nfs/dbraw/zinc/70/12/91/559701291.db2.gz YQWVGSUNJCUKOP-WBVHZDCISA-N 0 3 354.458 2.099 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](n3ccnn3)C2)c(OC)c1 ZINC000425497089 559705581 /nfs/dbraw/zinc/70/55/81/559705581.db2.gz BYFLOAASGLAQAZ-QZTJIDSGSA-N 0 3 372.469 2.092 20 30 FEEDHN N#Cc1cccc(NC(=O)CN[C@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425531947 559708039 /nfs/dbraw/zinc/70/80/39/559708039.db2.gz BFSGAAFNLGBJPO-LJQANCHMSA-N 0 3 357.454 2.044 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000425531801 559708082 /nfs/dbraw/zinc/70/80/82/559708082.db2.gz ICAGNULGSGCRHP-NSHDSACASA-N 0 3 356.348 2.329 20 30 FEEDHN N#C[C@H]1CC[C@@H](NC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000425871079 559723514 /nfs/dbraw/zinc/72/35/14/559723514.db2.gz WQNAEQRYYRHYLH-ZWKOTPCHSA-N 0 3 356.470 2.005 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000425910557 559725006 /nfs/dbraw/zinc/72/50/06/559725006.db2.gz WNSIXIJMVVPWFB-QAPCUYQASA-N 0 3 370.497 2.314 20 30 FEEDHN N#Cc1cnc(C(=O)NCC2(N3CCCCC3)CCOCC2)c(Cl)c1 ZINC000428044405 559768329 /nfs/dbraw/zinc/76/83/29/559768329.db2.gz SXNLGFYLHWSPHV-UHFFFAOYSA-N 0 3 362.861 2.372 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc(C#N)s1 ZINC000428688717 559781180 /nfs/dbraw/zinc/78/11/80/559781180.db2.gz AKKWOGVHDHXXAG-IBGZPJMESA-N 0 3 355.463 2.329 20 30 FEEDHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000438944254 559985859 /nfs/dbraw/zinc/98/58/59/559985859.db2.gz QKJIHRMGMOLPTP-HNNXBMFYSA-N 0 3 353.463 2.486 20 30 FEEDHN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443075817 560069547 /nfs/dbraw/zinc/06/95/47/560069547.db2.gz WAQYYBRYQZKPAP-UHFFFAOYSA-N 0 3 368.459 2.257 20 30 FEEDHN COCc1nc(OC)cc(N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000443495310 560085543 /nfs/dbraw/zinc/08/55/43/560085543.db2.gz XJKBBYFPXUBWJV-UHFFFAOYSA-N 0 3 355.442 2.071 20 30 FEEDHN Cc1cc(CNCCOc2ccc(NS(C)(=O)=O)cc2)ccc1C#N ZINC000443985344 560098544 /nfs/dbraw/zinc/09/85/44/560098544.db2.gz GKHUMPJKQUVAJL-UHFFFAOYSA-N 0 3 359.451 2.407 20 30 FEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000448321750 560184039 /nfs/dbraw/zinc/18/40/39/560184039.db2.gz NPRAMKLOMLNOCF-OAHLLOKOSA-N 0 3 362.861 2.387 20 30 FEEDHN Cn1c(C#N)ccc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000448955340 560208588 /nfs/dbraw/zinc/20/85/88/560208588.db2.gz NCLZHGURPWDGBP-UHFFFAOYSA-N 0 3 352.438 2.301 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCN1C ZINC000449942636 560245971 /nfs/dbraw/zinc/24/59/71/560245971.db2.gz UTYIZOJXAVCNBQ-VHDGCEQUSA-N 0 3 374.872 2.163 20 30 FEEDHN N#Cc1cccc(NCCCN2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000450293540 560257469 /nfs/dbraw/zinc/25/74/69/560257469.db2.gz JZSVAEIIDRNYEK-UHFFFAOYSA-N 0 3 366.425 2.486 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450693242 560270284 /nfs/dbraw/zinc/27/02/84/560270284.db2.gz BIBNMIGLTFDYOR-UHFFFAOYSA-N 0 3 366.259 2.252 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3ccc(C#N)c(C)n3)C2)CC1 ZINC000450781367 560273107 /nfs/dbraw/zinc/27/31/07/560273107.db2.gz ZQRASBCOTLCZCI-GOSISDBHSA-N 0 3 355.486 2.032 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000451236052 560294908 /nfs/dbraw/zinc/29/49/08/560294908.db2.gz MKIDWSUKJZIZAP-DYVFJYSZSA-N 0 3 353.463 2.332 20 30 FEEDHN Cn1c(C#N)ccc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000451325782 560300213 /nfs/dbraw/zinc/30/02/13/560300213.db2.gz AOFBOAMDHLDFKC-UHFFFAOYSA-N 0 3 354.376 2.432 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000451706007 560323464 /nfs/dbraw/zinc/32/34/64/560323464.db2.gz JFOKBTBWXOAHKZ-WIYYLYMNSA-N 0 3 356.514 2.495 20 30 FEEDHN C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CCN(Cc2ccccc2)C1 ZINC000451714263 560324211 /nfs/dbraw/zinc/32/42/11/560324211.db2.gz VBGAWKMQLFKWEE-IBGZPJMESA-N 0 3 367.497 2.096 20 30 FEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452044059 560347529 /nfs/dbraw/zinc/34/75/29/560347529.db2.gz VTPROTPAZGUOPQ-UHFFFAOYSA-N 0 3 368.403 2.133 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(C(C)C)CC1 ZINC000453454729 560387079 /nfs/dbraw/zinc/38/70/79/560387079.db2.gz QSAGSONDPQYMBV-KRWDZBQOSA-N 0 3 365.522 2.499 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NCc2cccc(CN(C)C)c2)c1 ZINC000453592193 560390156 /nfs/dbraw/zinc/39/01/56/560390156.db2.gz HOYZAHBPJGGTPA-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(OCCOC(C)C)CC2)CC1 ZINC000454529636 560448317 /nfs/dbraw/zinc/44/83/17/560448317.db2.gz AONDOLVCRLOEQG-UHFFFAOYSA-N 0 3 353.507 2.252 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCCN1CCO ZINC000454570205 560449945 /nfs/dbraw/zinc/44/99/45/560449945.db2.gz DLOLSTGEFLSAII-MRXNPFEDSA-N 0 3 360.458 2.314 20 30 FEEDHN N#Cc1ncn(CCNCc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000459537910 560692927 /nfs/dbraw/zinc/69/29/27/560692927.db2.gz NRLLAZVRWFVMLM-UHFFFAOYSA-N 0 3 362.441 2.313 20 30 FEEDHN C[C@H](CCCc1cccnc1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459634073 560698849 /nfs/dbraw/zinc/69/88/49/560698849.db2.gz HMICXDHYCXSAKO-OAHLLOKOSA-N 0 3 358.467 2.123 20 30 FEEDHN CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460241144 560739115 /nfs/dbraw/zinc/73/91/15/560739115.db2.gz VPXDETIKBGNVLQ-KRWDZBQOSA-N 0 3 366.469 2.422 20 30 FEEDHN C=C(C)Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000460369480 560742558 /nfs/dbraw/zinc/74/25/58/560742558.db2.gz JGVFGRDRAUVECV-MRXNPFEDSA-N 0 3 363.506 2.080 20 30 FEEDHN C=C(C)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1C(C)(C)C ZINC000460944727 560756751 /nfs/dbraw/zinc/75/67/51/560756751.db2.gz SBLYHTCHFZUQFT-QGZVFWFLSA-N 0 3 360.550 2.368 20 30 FEEDHN CCCN(CCN1CCN(CC)CC1)C(=O)NCC(C)(C)CCC#N ZINC000461534985 560774890 /nfs/dbraw/zinc/77/48/90/560774890.db2.gz VLNVIFPZQMNJEX-UHFFFAOYSA-N 0 3 351.539 2.375 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000461960237 560789873 /nfs/dbraw/zinc/78/98/73/560789873.db2.gz SXSKLKJVDDREBZ-MJGOQNOKSA-N 0 3 374.485 2.135 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000468013237 560921136 /nfs/dbraw/zinc/92/11/36/560921136.db2.gz DIVMJQVBDZAOMJ-WBVHZDCISA-N 0 3 350.484 2.378 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000470100787 560974320 /nfs/dbraw/zinc/97/43/20/560974320.db2.gz PLWLKOQAIFOWKQ-MRXNPFEDSA-N 0 3 362.470 2.491 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCN2CCCCCC2=O)cc1 ZINC000470725752 560988084 /nfs/dbraw/zinc/98/80/84/560988084.db2.gz DJHPWVMDSXEDEN-SFHVURJKSA-N 0 3 352.438 2.149 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nnnn1-c1ccccc1 ZINC000470944504 560994910 /nfs/dbraw/zinc/99/49/10/560994910.db2.gz KGBHDBFTIJSYMS-PBHICJAKSA-N 0 3 371.404 2.094 20 30 FEEDHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470944799 560994935 /nfs/dbraw/zinc/99/49/35/560994935.db2.gz LAWSKNGUAKFLCW-QYZOEREBSA-N 0 3 366.465 2.440 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472090153 561017768 /nfs/dbraw/zinc/01/77/68/561017768.db2.gz ZDTYVZYMBDOBEA-SFHVURJKSA-N 0 3 368.481 2.246 20 30 FEEDHN CN(C)C(=O)CCN1CCC(NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000475759415 561104490 /nfs/dbraw/zinc/10/44/90/561104490.db2.gz YLAURACRBZDFSU-SFHVURJKSA-N 0 3 370.497 2.133 20 30 FEEDHN COCCc1noc(CC2CCN(CCOc3ccccc3C#N)CC2)n1 ZINC000528619106 562338608 /nfs/dbraw/zinc/33/86/08/562338608.db2.gz LWENEEHUARAELO-UHFFFAOYSA-N 0 3 370.453 2.464 20 30 FEEDHN Cc1oc(NC(=O)[C@@H](C)N2CCC(C)(N3CCOCC3)CC2)c(C#N)c1C ZINC000528728114 562344313 /nfs/dbraw/zinc/34/43/13/562344313.db2.gz LTHPRPIUPWALQR-OAHLLOKOSA-N 0 3 374.485 2.282 20 30 FEEDHN COc1cccc(N2CC[C@@H](NC[C@@H](O)COc3ccccc3C#N)C2)c1 ZINC000530231299 562403051 /nfs/dbraw/zinc/40/30/51/562403051.db2.gz OBAJDAQTMHMCJT-IEBWSBKVSA-N 0 3 367.449 2.175 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCCN(C2CCCCC2)C1=O ZINC000530230614 562403138 /nfs/dbraw/zinc/40/31/38/562403138.db2.gz BIOAEHLPTRUETH-OALUTQOASA-N 0 3 371.481 2.211 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cn(Cc3ccccc3)nn2)CC1 ZINC000530453611 562411835 /nfs/dbraw/zinc/41/18/35/562411835.db2.gz MMOIDEAXHHARNH-UHFFFAOYSA-N 0 3 354.458 2.488 20 30 FEEDHN CC1CC(C#N)(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000531808453 562457315 /nfs/dbraw/zinc/45/73/15/562457315.db2.gz AWLHUBPDFXDLKS-UHFFFAOYSA-N 0 3 354.498 2.250 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000532108383 562467201 /nfs/dbraw/zinc/46/72/01/562467201.db2.gz OVWRRRGQJCDLPV-MGPQQGTHSA-N 0 3 353.463 2.342 20 30 FEEDHN C=CC1CCN([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000533423691 562508193 /nfs/dbraw/zinc/50/81/93/562508193.db2.gz SHGREOJDWRZMGQ-SFHVURJKSA-N 0 3 371.525 2.422 20 30 FEEDHN N#Cc1ccsc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000534917940 562545106 /nfs/dbraw/zinc/54/51/06/562545106.db2.gz YGIHJEKFWPRLEU-SJORKVTESA-N 0 3 355.463 2.233 20 30 FEEDHN N#Cc1cccc(-c2csc(NC(=O)[C@H]3CN4CCN3CCC4)n2)c1 ZINC000535728906 562565810 /nfs/dbraw/zinc/56/58/10/562565810.db2.gz CTJHIFFMJYYUNJ-MRXNPFEDSA-N 0 3 353.451 2.010 20 30 FEEDHN CN1CCC[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000609470577 567826624 /nfs/dbraw/zinc/82/66/24/567826624.db2.gz BPVFMFZLHWTPIT-SJORKVTESA-N 0 3 373.476 2.307 20 30 FEEDHN COc1cc([C@H](C#N)NC(=O)CN(C)CC(C)(C)C)cc(OC)c1OC ZINC000602089965 567923883 /nfs/dbraw/zinc/92/38/83/567923883.db2.gz ZXUMVDFXOQUCHY-AWEZNQCLSA-N 0 3 363.458 2.371 20 30 FEEDHN CN1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000609471655 568010960 /nfs/dbraw/zinc/01/09/60/568010960.db2.gz OWSRQHIYZLJJOR-MRXNPFEDSA-N 0 3 359.449 2.013 20 30 FEEDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000330275408 568083058 /nfs/dbraw/zinc/08/30/58/568083058.db2.gz LLRMJFKJVZIBGW-OTWHNJEPSA-N 0 3 359.470 2.055 20 30 FEEDHN COc1ccccc1O[C@H](C)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000568741607 568151904 /nfs/dbraw/zinc/15/19/04/568151904.db2.gz YSUHRYBAYLKNEQ-OAHLLOKOSA-N 0 3 374.462 2.398 20 30 FEEDHN CN(C)CCOc1cnccc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000570612176 568490972 /nfs/dbraw/zinc/49/09/72/568490972.db2.gz PLBPCOLFDDSGBO-UHFFFAOYSA-N 0 3 358.829 2.477 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1 ZINC000557845312 674470380 /nfs/dbraw/zinc/47/03/80/674470380.db2.gz YVRKCVFBPXRPIH-NVXWUHKLSA-N 0 3 350.507 2.019 20 30 FEEDHN C#CC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000819702201 606074780 /nfs/dbraw/zinc/07/47/80/606074780.db2.gz SWLNWRSWKCIYOX-GFCCVEGCSA-N 0 3 372.498 2.337 20 30 FEEDHN C#CC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000819702201 606074785 /nfs/dbraw/zinc/07/47/85/606074785.db2.gz SWLNWRSWKCIYOX-GFCCVEGCSA-N 0 3 372.498 2.337 20 30 FEEDHN N#CC1(CS(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000562003538 674714930 /nfs/dbraw/zinc/71/49/30/674714930.db2.gz LUIPHIOMBRZXND-HDICACEKSA-N 0 3 359.495 2.074 20 30 FEEDHN C=CCCCCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000562127531 674723416 /nfs/dbraw/zinc/72/34/16/674723416.db2.gz XVXFBWXFHJLCJY-UHFFFAOYSA-N 0 3 367.559 2.327 20 30 FEEDHN CCn1nncc1C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000815907789 674983991 /nfs/dbraw/zinc/98/39/91/674983991.db2.gz KMSXPJSOAXCCGY-JTQLQIEISA-N 0 3 361.789 2.230 20 30 FEEDHN CCS(=O)(=O)N1CCC(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000054734273 670340475 /nfs/dbraw/zinc/34/04/75/670340475.db2.gz YUIXOQNVTPNQDP-CYBMUJFWSA-N 0 3 361.423 2.066 20 30 FEEDHN COc1ncc(CNC[C@@H](O)COc2ccc(CC#N)cc2)cc1Cl ZINC000571396323 670867945 /nfs/dbraw/zinc/86/79/45/670867945.db2.gz AKWSZZLAAPZJLI-OAHLLOKOSA-N 0 3 361.829 2.339 20 30 FEEDHN CC(C)CN1CCCC[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000571909903 670939568 /nfs/dbraw/zinc/93/95/68/670939568.db2.gz HWDLUTILMOYBCG-GOSISDBHSA-N 0 3 363.527 2.432 20 30 FEEDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C2)C1 ZINC000576089389 671343191 /nfs/dbraw/zinc/34/31/91/671343191.db2.gz QADPRIHIMKOXFG-OAHLLOKOSA-N 0 3 373.400 2.293 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000576749206 671391430 /nfs/dbraw/zinc/39/14/30/671391430.db2.gz PFKMNJLRFJZHGD-MRXNPFEDSA-N 0 3 363.527 2.432 20 30 FEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000578524660 671671412 /nfs/dbraw/zinc/67/14/12/671671412.db2.gz NHRPRKGPBDSQBN-CYBMUJFWSA-N 0 3 362.861 2.387 20 30 FEEDHN C=CCn1c(C)nn(CN2CCN(CCOC)[C@@H](CCC)C2)c1=S ZINC000159824093 672285437 /nfs/dbraw/zinc/28/54/37/672285437.db2.gz DYODZJYYKZVCAW-INIZCTEOSA-N 0 3 353.536 2.299 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCN(CC)C(=O)OC(C)(C)C)CC1 ZINC000171734765 672335138 /nfs/dbraw/zinc/33/51/38/672335138.db2.gz CTTGTFWEWOBQNO-UHFFFAOYSA-N 0 3 354.495 2.193 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@]1(O)CCSC1 ZINC000176749817 672376692 /nfs/dbraw/zinc/37/66/92/672376692.db2.gz ROHHXQKCRMSOBQ-OAHLLOKOSA-N 0 3 356.285 2.419 20 30 FEEDHN C[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)CN1CCN(C)CC1 ZINC000611094226 676016929 /nfs/dbraw/zinc/01/69/29/676016929.db2.gz BNXIIGSXYGVCGA-GFCCVEGCSA-N 0 3 369.296 2.478 20 30 FEEDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000590588223 672592870 /nfs/dbraw/zinc/59/28/70/672592870.db2.gz DTRASINMQZMXOY-QMTHXVAHSA-N 0 3 372.288 2.034 20 30 FEEDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000590589078 672593442 /nfs/dbraw/zinc/59/34/42/672593442.db2.gz LKTYMTTTYKZEKO-IINYFYTJSA-N 0 3 361.389 2.290 20 30 FEEDHN CCN1CCC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593457181 672926692 /nfs/dbraw/zinc/92/66/92/672926692.db2.gz WCOVDUWSYBOTQD-HNNXBMFYSA-N 0 3 350.260 2.464 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC000594326951 673059076 /nfs/dbraw/zinc/05/90/76/673059076.db2.gz SNMWHQXYWKVISU-JKSUJKDBSA-N 0 3 360.845 2.283 20 30 FEEDHN CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594428523 673070733 /nfs/dbraw/zinc/07/07/33/673070733.db2.gz YVRKBAYXZPREFE-INIZCTEOSA-N 0 3 366.487 2.115 20 30 FEEDHN Cc1ccc(C(=O)NC2CCN(C(=O)[C@H](N)CCCCC#N)CC2)s1 ZINC000594440351 673072077 /nfs/dbraw/zinc/07/20/77/673072077.db2.gz YFNYQESVWZZXOH-OAHLLOKOSA-N 0 3 362.499 2.189 20 30 FEEDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1cc(Br)c(C#N)cc1F ZINC000594585892 673103059 /nfs/dbraw/zinc/10/30/59/673103059.db2.gz GUAHDACXRBJQHR-SNVBAGLBSA-N 0 3 369.238 2.016 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccccc1OCC(F)(F)F ZINC000727953522 673188184 /nfs/dbraw/zinc/18/81/84/673188184.db2.gz JFIDCXRFTKXXOH-LLVKDONJSA-N 0 3 356.300 2.018 20 30 FEEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595120872 673197282 /nfs/dbraw/zinc/19/72/82/673197282.db2.gz GCYAPHYPGJPJJD-CHWSQXEVSA-N 0 3 353.444 2.141 20 30 FEEDHN CNC(=O)[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729471132 673236009 /nfs/dbraw/zinc/23/60/09/673236009.db2.gz UOWHGKPYBGFGNA-TZMCWYRMSA-N 0 3 356.451 2.073 20 30 FEEDHN COC(=O)N(C)CCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000729889000 673251751 /nfs/dbraw/zinc/25/17/51/673251751.db2.gz LKGMQQLUMGOPFE-LLVKDONJSA-N 0 3 351.790 2.466 20 30 FEEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599308839 673656470 /nfs/dbraw/zinc/65/64/70/673656470.db2.gz YBLWIZNHNUVWND-FZXICVGQSA-N 0 3 364.511 2.488 20 30 FEEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccc([S@](C)=O)cc1 ZINC000599353163 673662735 /nfs/dbraw/zinc/66/27/35/673662735.db2.gz GAAHKBFLNJRJOQ-LIHGKODYSA-N 0 3 358.463 2.386 20 30 FEEDHN N#CC1(C[C@@H](O)CN[C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000599425418 673674457 /nfs/dbraw/zinc/67/44/57/673674457.db2.gz GKTXOACFVZQANW-BXUZGUMPSA-N 0 3 357.223 2.266 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CCC3(CC2)C(F)(F)C3(F)F)CCOCC1 ZINC000599451520 673677124 /nfs/dbraw/zinc/67/71/24/673677124.db2.gz ZFSOEBUTOSHIGS-GFCCVEGCSA-N 0 3 350.356 2.424 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000614443815 676175174 /nfs/dbraw/zinc/17/51/74/676175174.db2.gz QCSZPYWIMIPMIR-KURKYZTESA-N 0 3 352.519 2.297 20 30 FEEDHN Cc1cc(Br)ccc1NC(=O)CNC[C@H](O)CC1(C#N)CC1 ZINC000600714441 673793993 /nfs/dbraw/zinc/79/39/93/673793993.db2.gz MFDYNYPAJQNIBZ-CYBMUJFWSA-N 0 3 366.259 2.340 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1C ZINC000601355530 673847307 /nfs/dbraw/zinc/84/73/07/673847307.db2.gz TXCIVFPXWPNVAT-XJKSGUPXSA-N 0 3 353.463 2.499 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000601374139 673850930 /nfs/dbraw/zinc/85/09/30/673850930.db2.gz BHCMFXGYJGRTSO-BBRMVZONSA-N 0 3 351.447 2.111 20 30 FEEDHN C=CCn1c(Cc2nc(C)cs2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000566738324 675239073 /nfs/dbraw/zinc/23/90/73/675239073.db2.gz WBJOWEODLWHVOC-HNNXBMFYSA-N 0 3 358.515 2.493 20 30 FEEDHN C#Cc1cccc(NC(=S)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000763307720 680779510 /nfs/dbraw/zinc/77/95/10/680779510.db2.gz ZPDOKOCCEKFFHP-APWZRJJASA-N 0 3 356.539 2.323 20 30 FEEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@@](=O)C1 ZINC000763878249 680794226 /nfs/dbraw/zinc/79/42/26/680794226.db2.gz NGLXWDSKCFBHMI-RSPPDBIESA-N 0 3 361.492 2.173 20 30 FEEDHN C#CCN(C)CCCNC(=S)NCc1ccc(Br)cc1 ZINC000840759141 680841276 /nfs/dbraw/zinc/84/12/76/680841276.db2.gz VSVWCDXLXDPVOM-UHFFFAOYSA-N 0 3 354.317 2.368 20 30 FEEDHN Nc1nc(Cl)c(C=NNc2ncc(F)cc2F)c(N2CCCC2)n1 ZINC000835022455 680286499 /nfs/dbraw/zinc/28/64/99/680286499.db2.gz KLFDUPMVVRMXFM-UHFFFAOYSA-N 0 3 353.764 2.432 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CNCc2csnc2OC)C1 ZINC001026849768 680350184 /nfs/dbraw/zinc/35/01/84/680350184.db2.gz FDFHJIVCOMOHRX-IMJJTQAJSA-N 0 3 365.499 2.071 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2nc(C(C)(C)C(=O)OC)cs2)CC1 ZINC000836670471 680497146 /nfs/dbraw/zinc/49/71/46/680497146.db2.gz XFQZOAREDKRRIP-UHFFFAOYSA-N 0 3 366.487 2.366 20 30 FEEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 ZINC001004442523 680556341 /nfs/dbraw/zinc/55/63/41/680556341.db2.gz MWKNAKCCVXAISG-XYPHTWIQSA-N 0 3 367.921 2.357 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](Nc3snc(Cl)c3C#N)C2)C1 ZINC001043517067 680585331 /nfs/dbraw/zinc/58/53/31/680585331.db2.gz JZAMVIMTSPVKQA-NQBHXWOUSA-N 0 3 367.906 2.269 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNCc2ccc(Cl)s2)C1 ZINC001051834575 681069622 /nfs/dbraw/zinc/06/96/22/681069622.db2.gz QVTIPUGDOLSMKC-YUELXQCFSA-N 0 3 370.902 2.310 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000932141439 681183301 /nfs/dbraw/zinc/18/33/01/681183301.db2.gz ZPAJMIVYPKWCOI-UHFFFAOYSA-N 0 3 363.259 2.477 20 30 FEEDHN CCC1(CC)CNC(=O)[C@H]1NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000933288455 681388643 /nfs/dbraw/zinc/38/86/43/681388643.db2.gz WESQXXCJNXUFDG-MRXNPFEDSA-N 0 3 362.861 2.435 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](OC)[C@@H]2CCOC2)cc1Cl ZINC000850760900 681957533 /nfs/dbraw/zinc/95/75/33/681957533.db2.gz FMHXICVDVIBBJX-NSODJVPESA-N 0 3 366.801 2.047 20 30 FEEDHN CO[C@@H](C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F)C1CCCC1 ZINC000850977569 681992405 /nfs/dbraw/zinc/99/24/05/681992405.db2.gz YYIXIKBQDAMXPO-RHSMWYFYSA-N 0 3 350.365 2.495 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCCS2)cc1 ZINC000783359333 682137768 /nfs/dbraw/zinc/13/77/68/682137768.db2.gz VHDKJIPHYMIYQG-HUUCEWRRSA-N 0 3 359.451 2.321 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1cccc(Cl)c1 ZINC000916872389 685528395 /nfs/dbraw/zinc/52/83/95/685528395.db2.gz IVVKKTOPCCRORZ-HNNXBMFYSA-N 0 3 352.818 2.359 20 30 FEEDHN C#C[C@H](NC[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCO1 ZINC000784353183 682219383 /nfs/dbraw/zinc/21/93/83/682219383.db2.gz XZGDYBJXRUSMHF-VNQPRFMTSA-N 0 3 372.234 2.098 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cnc(Br)cn2)CC1 ZINC000917097919 685529620 /nfs/dbraw/zinc/52/96/20/685529620.db2.gz NGOLSKPYVKXOOX-UHFFFAOYSA-N 0 3 368.279 2.079 20 30 FEEDHN CN1C[C@@]2(C)CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000918352832 685538694 /nfs/dbraw/zinc/53/86/94/685538694.db2.gz WRKLGJWXVSPKEI-HOTGVXAUSA-N 0 3 353.875 2.174 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788256957 682514965 /nfs/dbraw/zinc/51/49/65/682514965.db2.gz LBYPAAYLOTYMEH-GJZGRUSLSA-N 0 3 360.520 2.403 20 30 FEEDHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(C#N)c(C)c1 ZINC000795185255 683026931 /nfs/dbraw/zinc/02/69/31/683026931.db2.gz BOFTVLVMCYMDJF-UHFFFAOYSA-N 0 3 362.455 2.009 20 30 FEEDHN C#CCCOc1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796514661 683167289 /nfs/dbraw/zinc/16/72/89/683167289.db2.gz OVBYVMGBFDEFSD-KRWDZBQOSA-N 0 3 356.388 2.441 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)cc1 ZINC000796648839 683181456 /nfs/dbraw/zinc/18/14/56/683181456.db2.gz FFPAFIWZPBDVDR-UKRRQHHQSA-N 0 3 350.365 2.498 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)[C@@H]1OCCc2sccc21 ZINC000796740665 683191726 /nfs/dbraw/zinc/19/17/26/683191726.db2.gz MKMKSSGHRXITKZ-QEORTHHSSA-N 0 3 364.467 2.250 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)CC1 ZINC000798465997 683353591 /nfs/dbraw/zinc/35/35/91/683353591.db2.gz BRKHJVBRIAKDCE-UHFFFAOYSA-N 0 3 365.474 2.335 20 30 FEEDHN C[C@@H]1[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN1C ZINC000928428056 683449226 /nfs/dbraw/zinc/44/92/26/683449226.db2.gz MCUROOAYVXOUMJ-QLFBSQMISA-N 0 3 352.479 2.172 20 30 FEEDHN Cc1cc(CNC(=S)N(CCN(C)C)Cc2ccc(C#N)cc2)no1 ZINC000865229227 683952313 /nfs/dbraw/zinc/95/23/13/683952313.db2.gz VHLHXEFZIPYWMZ-UHFFFAOYSA-N 0 3 357.483 2.293 20 30 FEEDHN C[C@H]1CCC[C@@](C#N)(NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000865919272 684045415 /nfs/dbraw/zinc/04/54/15/684045415.db2.gz DDSYGRWEKNJARU-SUNYJGFJSA-N 0 3 352.479 2.030 20 30 FEEDHN COCCNS(=O)(=O)c1cccc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000925093854 684523938 /nfs/dbraw/zinc/52/39/38/684523938.db2.gz STLQJXJNUYIHPR-CQSZACIVSA-N 0 3 353.488 2.029 20 30 FEEDHN C[C@@H](Nc1cc2n(n1)CCN(C)C2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000871929264 684884284 /nfs/dbraw/zinc/88/42/84/684884284.db2.gz VZWHAHIBVLJHJA-LLVKDONJSA-N 0 3 358.833 2.293 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC000872230072 684929646 /nfs/dbraw/zinc/92/96/46/684929646.db2.gz VRAJIIUCOZBTCW-WDSOQIARSA-N 0 3 356.447 2.186 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000876607176 686227827 /nfs/dbraw/zinc/22/78/27/686227827.db2.gz QQOVAQHXBHAQPE-LBPRGKRZSA-N 0 3 374.666 2.364 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000876615658 686229032 /nfs/dbraw/zinc/22/90/32/686229032.db2.gz KFPNFHPJDARTBL-HNNXBMFYSA-N 0 3 370.280 2.484 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876620635 686229671 /nfs/dbraw/zinc/22/96/71/686229671.db2.gz NYWJYPTUFLRXDT-AAEUAGOBSA-N 0 3 366.767 2.031 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000876621101 686229876 /nfs/dbraw/zinc/22/98/76/686229876.db2.gz VLVGFSBWDZMJMN-KOLCDFICSA-N 0 3 367.660 2.319 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000876896364 686289839 /nfs/dbraw/zinc/28/98/39/686289839.db2.gz BFGVWTWQCAKFKU-CYBMUJFWSA-N 0 3 365.890 2.118 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000876977896 686303960 /nfs/dbraw/zinc/30/39/60/686303960.db2.gz BXHNTLFKQPSLHO-SJORKVTESA-N 0 3 352.862 2.468 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc2c(cc1C(=O)OC)OCCCO2 ZINC000877195133 686338341 /nfs/dbraw/zinc/33/83/41/686338341.db2.gz GJRKVUXZRYAVTN-LLVKDONJSA-N 0 3 354.790 2.043 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000877259657 686344325 /nfs/dbraw/zinc/34/43/25/686344325.db2.gz WCUBTELWEROZMD-BXKDBHETSA-N 0 3 359.651 2.339 20 30 FEEDHN CC(C)C[C@@H](C(N)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000880591097 687064676 /nfs/dbraw/zinc/06/46/76/687064676.db2.gz XOBMUQCHXXCLKB-AWEZNQCLSA-N 0 3 362.499 2.269 20 30 FEEDHN C=C(C)C[C@H](CO)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000883662851 687696023 /nfs/dbraw/zinc/69/60/23/687696023.db2.gz WMUPJVVBDDXRIH-SHARSMKWSA-N 0 3 363.424 2.418 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@@H]1CCN(c3cccc(Cl)c3)C1)C2 ZINC000884232413 687825422 /nfs/dbraw/zinc/82/54/22/687825422.db2.gz QMNMOHARPWTPGG-RGUMBQAQSA-N 0 3 358.873 2.174 20 30 FEEDHN C#CCN(C(=O)c1sc(-c2cnn(C)c2)nc1C)C1CCN(C)CC1 ZINC000886581224 688279383 /nfs/dbraw/zinc/27/93/83/688279383.db2.gz OGUYAIBFGLDZCH-UHFFFAOYSA-N 0 3 357.483 2.022 20 30 FEEDHN CSc1nccnc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000888222340 688565894 /nfs/dbraw/zinc/56/58/94/688565894.db2.gz IDTVYRPSJUZHBM-UHFFFAOYSA-N 0 3 355.467 2.274 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(S(C)(=O)=O)CC1 ZINC000892420633 689193917 /nfs/dbraw/zinc/19/39/17/689193917.db2.gz VGSAWZPBVYCEAE-JXQTWKCFSA-N 0 3 359.451 2.353 20 30 FEEDHN C#C[C@H](NC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000894870935 689611792 /nfs/dbraw/zinc/61/17/92/689611792.db2.gz QEYVFTMMNZDSSG-HNNXBMFYSA-N 0 3 371.300 2.137 20 30 FEEDHN N#Cc1cc(F)c(N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1Br ZINC000897218491 689989573 /nfs/dbraw/zinc/98/95/73/689989573.db2.gz DICAWGLXNVRFFC-CABCVRRESA-N 0 3 368.250 2.495 20 30 FEEDHN N#Cc1cc(F)c(N2CC[C@@H]3[C@H]2CCCN3CCO)cc1Br ZINC000897218493 689989592 /nfs/dbraw/zinc/98/95/92/689989592.db2.gz DICAWGLXNVRFFC-HUUCEWRRSA-N 0 3 368.250 2.495 20 30 FEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1nc(C#N)cs1 ZINC000897299045 690002253 /nfs/dbraw/zinc/00/22/53/690002253.db2.gz RWMZFKXHHLHPOB-UHFFFAOYSA-N 0 3 361.446 2.427 20 30 FEEDHN C#CCOc1ccc(CNCc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000898287082 690154899 /nfs/dbraw/zinc/15/48/99/690154899.db2.gz QLEVMCGSZHPXSA-UHFFFAOYSA-N 0 3 358.463 2.384 20 30 FEEDHN C#CCN(C)CCCNC(=O)CSc1nccn1Cc1ccccc1 ZINC000908436851 691679031 /nfs/dbraw/zinc/67/90/31/691679031.db2.gz XQCFILVHAWHALF-UHFFFAOYSA-N 0 3 356.495 2.095 20 30 FEEDHN N#Cc1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867942 721039809 /nfs/dbraw/zinc/03/98/09/721039809.db2.gz LDJSIMYTKWMVNQ-DLBZAZTESA-N 0 3 369.856 2.481 20 30 FEEDHN Cc1cc(C#N)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164865963 721075633 /nfs/dbraw/zinc/07/56/33/721075633.db2.gz QLFJPBSOLTZPTQ-UXHICEINSA-N 0 3 363.465 2.445 20 30 FEEDHN N#Cc1cc(Cl)cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865715 721076777 /nfs/dbraw/zinc/07/67/77/721076777.db2.gz OUXJGDNWONJHOG-QZTJIDSGSA-N 0 3 369.856 2.481 20 30 FEEDHN Cc1cc(C#N)c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1C ZINC001164764242 721112257 /nfs/dbraw/zinc/11/22/57/721112257.db2.gz HLRLWWOUKOROGR-MJGOQNOKSA-N 0 3 350.470 2.262 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nn(C)c2Br)CC1 ZINC000801091576 674101390 /nfs/dbraw/zinc/10/13/90/674101390.db2.gz BCZQLDFHAGBBQR-UHFFFAOYSA-N 0 3 355.280 2.261 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1COc2ccccc2O1 ZINC000068309833 541574939 /nfs/dbraw/zinc/57/49/39/541574939.db2.gz SEVTWQHPHZZHHE-HXUWFJFHSA-N 0 3 365.433 2.288 20 30 FEEDHN CO/N=C(/C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccco1 ZINC000073108011 541919100 /nfs/dbraw/zinc/91/91/00/541919100.db2.gz GTZAKDWXTZBHFR-DYTRJAOYSA-N 0 3 354.410 2.092 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN(CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000074311536 542067585 /nfs/dbraw/zinc/06/75/85/542067585.db2.gz LBLTZYWNBLPHMY-GHTZIAJQSA-N 0 3 352.434 2.280 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074655352 542106964 /nfs/dbraw/zinc/10/69/64/542106964.db2.gz TUPVVEGXVWVSBY-MRXNPFEDSA-N 0 3 350.532 2.329 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)cc2OCCC)CC1 ZINC000076513072 542288065 /nfs/dbraw/zinc/28/80/65/542288065.db2.gz ADNCIRYHLCMRCJ-UHFFFAOYSA-N 0 3 359.470 2.489 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(CCN2CCOCC2)CC1 ZINC000077273291 542360496 /nfs/dbraw/zinc/36/04/96/542360496.db2.gz OORRFFNGTWRFJR-UHFFFAOYSA-N 0 3 373.497 2.380 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@H]1CN1CCOCC1 ZINC000077286572 542361597 /nfs/dbraw/zinc/36/15/97/542361597.db2.gz KQFHGJFVBLVAKN-SFHVURJKSA-N 0 3 359.470 2.132 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CCN(CC#N)CC1 ZINC000077567492 542398449 /nfs/dbraw/zinc/39/84/49/542398449.db2.gz YTBYWJLRLNUVJR-SFHVURJKSA-N 0 3 369.513 2.280 20 30 FEEDHN C=CCOCCCC(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000079862166 542545829 /nfs/dbraw/zinc/54/58/29/542545829.db2.gz FTYPBEANDQYLMI-QGZVFWFLSA-N 0 3 359.470 2.305 20 30 FEEDHN CC(C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1)C(F)(F)F ZINC000079898317 542548606 /nfs/dbraw/zinc/54/86/06/542548606.db2.gz ZYVXVDQWGGRRGR-SNVBAGLBSA-N 0 3 355.320 2.381 20 30 FEEDHN C[C@H](C#N)CN(C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000080077539 542562883 /nfs/dbraw/zinc/56/28/83/542562883.db2.gz PCRAJYMPHPIGAF-GOSISDBHSA-N 0 3 357.502 2.390 20 30 FEEDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156200606 545607904 /nfs/dbraw/zinc/60/79/04/545607904.db2.gz LYGGVXBZRNQJTC-CYBMUJFWSA-N 0 3 366.443 2.009 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(C)cc2OCCOCC)CC1 ZINC000087453101 542745355 /nfs/dbraw/zinc/74/53/55/542745355.db2.gz AGDXQFFEJKBSIT-UHFFFAOYSA-N 0 3 358.482 2.372 20 30 FEEDHN O=C(C#Cc1ccc2c(c1)OCO2)NCC1CCN(c2ccncc2)CC1 ZINC000090144541 542783059 /nfs/dbraw/zinc/78/30/59/542783059.db2.gz IDPVJBHLYLTXCI-UHFFFAOYSA-N 0 3 363.417 2.195 20 30 FEEDHN CN(CCC1CCN(c2ccncc2)CC1)S(=O)(=O)CCCC#N ZINC000092335220 542857794 /nfs/dbraw/zinc/85/77/94/542857794.db2.gz LUGYKZKFLBEQLZ-UHFFFAOYSA-N 0 3 350.488 2.253 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000093821056 542942795 /nfs/dbraw/zinc/94/27/95/542942795.db2.gz LZZKMZUSVADJAG-HXUWFJFHSA-N 0 3 370.497 2.108 20 30 FEEDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000093821057 542942818 /nfs/dbraw/zinc/94/28/18/542942818.db2.gz LZZKMZUSVADJAG-FQEVSTJZSA-N 0 3 370.497 2.108 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000097178334 543006802 /nfs/dbraw/zinc/00/68/02/543006802.db2.gz RDXBHSNLWOYBLH-UHFFFAOYSA-N 0 3 373.501 2.493 20 30 FEEDHN NC(=NOCCOc1ccccc1)c1ccccc1CN1CCC(O)CC1 ZINC000104054342 543121632 /nfs/dbraw/zinc/12/16/32/543121632.db2.gz KMGPECQXECXHGD-UHFFFAOYSA-N 0 3 369.465 2.359 20 30 FEEDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000104752089 543141586 /nfs/dbraw/zinc/14/15/86/543141586.db2.gz AKJPQEJEOIKQLD-UHFFFAOYSA-N 0 3 373.906 2.191 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000106774781 543246181 /nfs/dbraw/zinc/24/61/81/543246181.db2.gz QCCBJENOLZMIAV-UHFFFAOYSA-N 0 3 356.470 2.336 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1Cl ZINC000106786627 543246775 /nfs/dbraw/zinc/24/67/75/543246775.db2.gz OJRHOSRIYQVHFA-CQSZACIVSA-N 0 3 360.845 2.283 20 30 FEEDHN C#CCN1CCC(C(=O)NCC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000107266535 543264234 /nfs/dbraw/zinc/26/42/34/543264234.db2.gz VPMONYIVUWBMCH-UHFFFAOYSA-N 0 3 371.500 2.499 20 30 FEEDHN CN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000108406662 543289495 /nfs/dbraw/zinc/28/94/95/543289495.db2.gz LPLFLFMPNLGVFF-GFCCVEGCSA-N 0 3 361.389 2.197 20 30 FEEDHN CNC(=O)[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000111267320 543390847 /nfs/dbraw/zinc/39/08/47/543390847.db2.gz GSDPJQVVGBUSLC-ZDUSSCGKSA-N 0 3 374.510 2.285 20 30 FEEDHN N#Cc1ccc(NCCCCN2CCN(CCO)CC2)cc1C(F)(F)F ZINC000114450875 543516590 /nfs/dbraw/zinc/51/65/90/543516590.db2.gz ACZPJWLBPRUGJX-UHFFFAOYSA-N 0 3 370.419 2.379 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000118898979 543662023 /nfs/dbraw/zinc/66/20/23/543662023.db2.gz YXSRGFOMCATKJQ-GJZGRUSLSA-N 0 3 374.510 2.477 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000123524211 543767330 /nfs/dbraw/zinc/76/73/30/543767330.db2.gz FPOYZHHSLDVNDK-MRXNPFEDSA-N 0 3 358.482 2.344 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)c2c(F)cc(C#N)cc2F)ccn1 ZINC000124386150 543817946 /nfs/dbraw/zinc/81/79/46/543817946.db2.gz ZCMRWWAIIIVTLD-UHFFFAOYSA-N 0 3 360.364 2.102 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(Cc3nccn3C)CC2)CC1 ZINC000126209913 543923683 /nfs/dbraw/zinc/92/36/83/543923683.db2.gz HHBRWAREZHZIBE-UHFFFAOYSA-N 0 3 359.518 2.425 20 30 FEEDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000126896617 543962259 /nfs/dbraw/zinc/96/22/59/543962259.db2.gz QQLVCCZLJJTVKU-LJQANCHMSA-N 0 3 367.449 2.431 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000128973868 544084027 /nfs/dbraw/zinc/08/40/27/544084027.db2.gz LSOKOFXUGIGTDY-UHFFFAOYSA-N 0 3 363.433 2.130 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000131422025 544189819 /nfs/dbraw/zinc/18/98/19/544189819.db2.gz DUYFEHLLEMCDLN-UHFFFAOYSA-N 0 3 368.441 2.073 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2ncoc2-c2ccccc2)c1C#N ZINC000133480313 544271648 /nfs/dbraw/zinc/27/16/48/544271648.db2.gz BJUROPXJRBUYBN-UHFFFAOYSA-N 0 3 350.382 2.341 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2cccn2)n1 ZINC000134768170 544321253 /nfs/dbraw/zinc/32/12/53/544321253.db2.gz KUYDVQUITSUNOE-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN C=C[C@H](CC(=O)N1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000134644434 544316529 /nfs/dbraw/zinc/31/65/29/544316529.db2.gz SNSFEBYVWWRLAV-QGZVFWFLSA-N 0 3 357.498 2.263 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000152901447 544709491 /nfs/dbraw/zinc/70/94/91/544709491.db2.gz RKHUDGYGFWDYMO-AWEZNQCLSA-N 0 3 370.497 2.271 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000152901447 544709493 /nfs/dbraw/zinc/70/94/93/544709493.db2.gz RKHUDGYGFWDYMO-AWEZNQCLSA-N 0 3 370.497 2.271 20 30 FEEDHN CCO[C@H]1C[C@H](O)C12CCN(CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000152945608 544715587 /nfs/dbraw/zinc/71/55/87/544715587.db2.gz FQSVXOIXNDBKKV-ROUUACIJSA-N 0 3 357.454 2.139 20 30 FEEDHN Cn1cc(CN2CCN(C[C@H]3CCOC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180231614 327677319 /nfs/dbraw/zinc/67/73/19/327677319.db2.gz MZQVWJCEAYQUGK-GOSISDBHSA-N 0 3 365.481 2.113 20 30 FEEDHN COC(=O)c1cn(C2CCN(CCCOc3ccc(C#N)cc3)CC2)nn1 ZINC000183729196 327832574 /nfs/dbraw/zinc/83/25/74/327832574.db2.gz XLUOCQLMDXBTKB-UHFFFAOYSA-N 0 3 369.425 2.042 20 30 FEEDHN CCN(CCNS(=O)(=O)c1cccc(Br)c1C#N)C(C)C ZINC000553875997 674291555 /nfs/dbraw/zinc/29/15/55/674291555.db2.gz VSKOJXVWFONROE-UHFFFAOYSA-N 0 3 374.304 2.329 20 30 FEEDHN COCCO[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000189664285 328160769 /nfs/dbraw/zinc/16/07/69/328160769.db2.gz HQHJMCLDSPHHBJ-OAHLLOKOSA-N 0 3 351.834 2.278 20 30 FEEDHN C[C@H]1CN(C(=O)c2ccc(CNCc3cc(C#N)n(C)c3)cc2)C[C@H](C)O1 ZINC000190872794 328237539 /nfs/dbraw/zinc/23/75/39/328237539.db2.gz IHZFBWXEMWVDKK-HOTGVXAUSA-N 0 3 366.465 2.436 20 30 FEEDHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1[C@H](C)CC[C@@H]1C ZINC000191083209 328249162 /nfs/dbraw/zinc/24/91/62/328249162.db2.gz GSYFQKHWYPMIJD-CYJAXWMASA-N 0 3 368.481 2.037 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H](c1ccccc1)N(C)C ZINC000191246315 328256115 /nfs/dbraw/zinc/25/61/15/328256115.db2.gz VCJCVUDRHAOMHB-FZKQIMNGSA-N 0 3 368.412 2.443 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193225758 328363649 /nfs/dbraw/zinc/36/36/49/328363649.db2.gz STKRNQBBLJBMND-INIZCTEOSA-N 0 3 359.474 2.062 20 30 FEEDHN COc1ccc(CNC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1C#N ZINC000089799481 325333891 /nfs/dbraw/zinc/33/38/91/325333891.db2.gz HAFBPDHAWRQVHO-UXHICEINSA-N 0 3 351.450 2.292 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118810782 326104134 /nfs/dbraw/zinc/10/41/34/326104134.db2.gz DWSSAPCOVRQRHG-SJORKVTESA-N 0 3 357.502 2.192 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000118852206 326108467 /nfs/dbraw/zinc/10/84/67/326108467.db2.gz XTQAXOBXPNMJHB-IBGZPJMESA-N 0 3 371.481 2.022 20 30 FEEDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120954041 326301948 /nfs/dbraw/zinc/30/19/48/326301948.db2.gz OQYROSXEBAVLTO-JKSUJKDBSA-N 0 3 351.447 2.086 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120985068 326304445 /nfs/dbraw/zinc/30/44/45/326304445.db2.gz KKKKSUAAVROHPU-RBSFLKMASA-N 0 3 367.490 2.483 20 30 FEEDHN Cc1cc(NC(=O)C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)no1 ZINC000121955820 326378039 /nfs/dbraw/zinc/37/80/39/326378039.db2.gz ZYBCSQBNMFZOTP-QGZVFWFLSA-N 0 3 354.410 2.239 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c1 ZINC000163784511 327058830 /nfs/dbraw/zinc/05/88/30/327058830.db2.gz PTBIUSUJNWXBBO-MRXNPFEDSA-N 0 3 365.474 2.335 20 30 FEEDHN CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)C ZINC000171056679 327114742 /nfs/dbraw/zinc/11/47/42/327114742.db2.gz BZRSMGHXABKEDK-UHFFFAOYSA-N 0 3 371.441 2.185 20 30 FEEDHN CN(CCC(=O)Nc1cccc(C#N)c1)C[C@H](O)COCc1ccccc1 ZINC000172252679 327190544 /nfs/dbraw/zinc/19/05/44/327190544.db2.gz NINDLLLECGYNPA-FQEVSTJZSA-N 0 3 367.449 2.396 20 30 FEEDHN COCCN(CCN(C)C)C(=O)NCCSCc1ccccc1C#N ZINC000264300719 329008411 /nfs/dbraw/zinc/00/84/11/329008411.db2.gz WWAFITDTUHNSNN-UHFFFAOYSA-N 0 3 364.515 2.011 20 30 FEEDHN CC(C)CC(=O)NCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000265897176 329170521 /nfs/dbraw/zinc/17/05/21/329170521.db2.gz OUELMRLJMWJEAZ-UHFFFAOYSA-N 0 3 358.486 2.001 20 30 FEEDHN CCN(CC)C(=O)CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000267988678 329374413 /nfs/dbraw/zinc/37/44/13/329374413.db2.gz ZZCBBGADTFDEGF-UHFFFAOYSA-N 0 3 358.486 2.097 20 30 FEEDHN Cc1nc(-c2nc(-c3ccnc(OCCN(C)C)c3)no2)ccc1C#N ZINC000273871178 329898618 /nfs/dbraw/zinc/89/86/18/329898618.db2.gz HQJCUZBVFNJUSG-UHFFFAOYSA-N 0 3 350.382 2.314 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1F ZINC000805074396 674317145 /nfs/dbraw/zinc/31/71/45/674317145.db2.gz JIQVQNXJSZTKQV-KEYYUXOJSA-N 0 3 365.836 2.316 20 30 FEEDHN N#CC(C(=O)COCc1cccnc1)C(=O)NCc1cccc(Cl)c1 ZINC000805926680 674360551 /nfs/dbraw/zinc/36/05/51/674360551.db2.gz WVGQSCPEFFVXJY-MRXNPFEDSA-N 0 3 357.797 2.277 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](N3CCCC3)CC2)c1 ZINC000156774710 545658484 /nfs/dbraw/zinc/65/84/84/545658484.db2.gz HNOUDJBHDXNXLA-GOSISDBHSA-N 0 3 361.511 2.282 20 30 FEEDHN CCN1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000158251700 545839687 /nfs/dbraw/zinc/83/96/87/545839687.db2.gz KTYKRZOBAGZLOL-KRWDZBQOSA-N 0 3 358.486 2.358 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000158386323 545854355 /nfs/dbraw/zinc/85/43/55/545854355.db2.gz WFROKIMIIFDROQ-MRXNPFEDSA-N 0 3 367.453 2.363 20 30 FEEDHN N#Cc1ccc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000159101764 545922162 /nfs/dbraw/zinc/92/21/62/545922162.db2.gz ISHQRXAQMDCRPC-UHFFFAOYSA-N 0 3 365.481 2.214 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000478444889 561167022 /nfs/dbraw/zinc/16/70/22/561167022.db2.gz NHDOFKSJIXWUBR-UHFFFAOYSA-N 0 3 358.348 2.202 20 30 FEEDHN COc1cc(O)c(CN2CCCN(c3ncccc3C#N)CC2)cc1OC ZINC000159926172 545992720 /nfs/dbraw/zinc/99/27/20/545992720.db2.gz LUVXLUBAOSEFCP-UHFFFAOYSA-N 0 3 368.437 2.388 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCCC(=O)N(C)C ZINC000478532504 561168888 /nfs/dbraw/zinc/16/88/88/561168888.db2.gz ADKFZHRFVSQQBI-UHFFFAOYSA-N 0 3 365.547 2.453 20 30 FEEDHN O=C(NCCNCc1ccc(F)c(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000162490653 546140156 /nfs/dbraw/zinc/14/01/56/546140156.db2.gz YGNVOXAWGXDTMS-CCEZHUSRSA-N 0 3 357.307 2.461 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000171715451 546220681 /nfs/dbraw/zinc/22/06/81/546220681.db2.gz BVPSDNQBKDFQSH-QGZVFWFLSA-N 0 3 361.873 2.460 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000171730407 546222302 /nfs/dbraw/zinc/22/23/02/546222302.db2.gz AGZQWWVIEDSTNY-KRWDZBQOSA-N 0 3 372.513 2.471 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)CC1 ZINC000172229875 546241002 /nfs/dbraw/zinc/24/10/02/546241002.db2.gz FGZCUYRSRXRBEB-KRWDZBQOSA-N 0 3 357.502 2.120 20 30 FEEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479403108 561189073 /nfs/dbraw/zinc/18/90/73/561189073.db2.gz XTBHRMVMSFCKGR-NXEZZACHSA-N 0 3 367.298 2.476 20 30 FEEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174946259 546305263 /nfs/dbraw/zinc/30/52/63/546305263.db2.gz QWIUMHJYRRCPOE-HXUWFJFHSA-N 0 3 367.497 2.239 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000175587976 546316101 /nfs/dbraw/zinc/31/61/01/546316101.db2.gz PPTHREWAPZSVHM-GOSISDBHSA-N 0 3 355.454 2.102 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000175781879 546349224 /nfs/dbraw/zinc/34/92/24/546349224.db2.gz ZHFGFWFFBHKMNN-GOSISDBHSA-N 0 3 371.529 2.363 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)N(C)Cc1ccccc1 ZINC000175982081 546384032 /nfs/dbraw/zinc/38/40/32/546384032.db2.gz LWNXTQRGRJWWSN-CQSZACIVSA-N 0 3 368.412 2.273 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000178412505 546789218 /nfs/dbraw/zinc/78/92/18/546789218.db2.gz HFYGQHWTCJUVTH-UHFFFAOYSA-N 0 3 364.449 2.444 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000178501520 546803918 /nfs/dbraw/zinc/80/39/18/546803918.db2.gz FYOGRKWGHWZUBA-QGZVFWFLSA-N 0 3 354.454 2.186 20 30 FEEDHN C=C[C@H](CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000179302488 546928067 /nfs/dbraw/zinc/92/80/67/546928067.db2.gz ACFKMIJDHZVMLA-IEBWSBKVSA-N 0 3 355.482 2.111 20 30 FEEDHN C=CCNC(=O)CN[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000180027789 547041153 /nfs/dbraw/zinc/04/11/53/547041153.db2.gz YVWOZRRQBGTYDR-LLVKDONJSA-N 0 3 354.248 2.058 20 30 FEEDHN C=CCNC(=O)CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000180212113 547067745 /nfs/dbraw/zinc/06/77/45/547067745.db2.gz VWTYCSZADDETAZ-HNNXBMFYSA-N 0 3 364.515 2.123 20 30 FEEDHN CC[C@@H](CO)N1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181122832 547253467 /nfs/dbraw/zinc/25/34/67/547253467.db2.gz NXQYRLKIPWNPQF-HNNXBMFYSA-N 0 3 352.276 2.209 20 30 FEEDHN N#Cc1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000181138303 547256772 /nfs/dbraw/zinc/25/67/72/547256772.db2.gz QYEGFQRRYAMPMY-HNNXBMFYSA-N 0 3 364.287 2.475 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCS2)cc1 ZINC000483550368 561279399 /nfs/dbraw/zinc/27/93/99/561279399.db2.gz OZWASCACYDHOGO-AAEUAGOBSA-N 0 3 353.469 2.389 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC[C@H]2CCCO2)cc1 ZINC000483623628 561280912 /nfs/dbraw/zinc/28/09/12/561280912.db2.gz PPCBOZOMDCOUBP-UKRRQHHQSA-N 0 3 365.455 2.405 20 30 FEEDHN N#Cc1ccc(CCC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 ZINC000183414578 547654201 /nfs/dbraw/zinc/65/42/01/547654201.db2.gz UMWHZZRWJKHTIB-OAQYLSRUSA-N 0 3 363.461 2.374 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c(Cl)c1 ZINC000183556288 547680320 /nfs/dbraw/zinc/68/03/20/547680320.db2.gz JHOLHHBMURUPRF-AWEZNQCLSA-N 0 3 353.875 2.461 20 30 FEEDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1C ZINC000184642030 547859825 /nfs/dbraw/zinc/85/98/25/547859825.db2.gz PNFGYQVMZUAEEG-BBRMVZONSA-N 0 3 353.430 2.085 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000188416467 548278994 /nfs/dbraw/zinc/27/89/94/548278994.db2.gz KGEUBJZKBBYYGA-LJQANCHMSA-N 0 3 361.442 2.323 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000189278385 548298678 /nfs/dbraw/zinc/29/86/78/548298678.db2.gz WOXYCJBUFKNTLP-INIZCTEOSA-N 0 3 356.388 2.375 20 30 FEEDHN CCn1nccc1N1CCC[C@H](NCc2ccc(O[C@@H](C)C#N)cc2)C1=O ZINC000191642526 548348257 /nfs/dbraw/zinc/34/82/57/548348257.db2.gz PPZWDBIZCHWQRN-YJBOKZPZSA-N 0 3 367.453 2.479 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(CCN(C)C)CC(C)C)CC2)o1 ZINC000193168944 548381503 /nfs/dbraw/zinc/38/15/03/548381503.db2.gz PFBPRDOKUIJCGW-UHFFFAOYSA-N 0 3 361.490 2.117 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245587481 548952380 /nfs/dbraw/zinc/95/23/80/548952380.db2.gz FEECUTYPPJRFDG-SCTDSRPQSA-N 0 3 362.495 2.284 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000246095240 549051402 /nfs/dbraw/zinc/05/14/02/549051402.db2.gz OGLUKDGCPLHBPS-AEFFLSMTSA-N 0 3 367.453 2.104 20 30 FEEDHN CC(C)n1cnnc1[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246148937 549063720 /nfs/dbraw/zinc/06/37/20/549063720.db2.gz LXSGVRCYYFXZCG-QZTJIDSGSA-N 0 3 369.469 2.350 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CN1C1CC1 ZINC000246153319 549064197 /nfs/dbraw/zinc/06/41/97/549064197.db2.gz DFBIPXYTBVWTFG-POAQFYNOSA-N 0 3 367.497 2.031 20 30 FEEDHN N#Cc1cccc(CS(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246209249 549078465 /nfs/dbraw/zinc/07/84/65/549078465.db2.gz AINWWYAXWFPUDS-HKUYNNGSSA-N 0 3 359.495 2.337 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)N1CCC[C@H](C)C1 ZINC000246284478 549095968 /nfs/dbraw/zinc/09/59/68/549095968.db2.gz UCHXRLDOWJZISS-QWHCGFSZSA-N 0 3 362.861 2.387 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000246741146 549201895 /nfs/dbraw/zinc/20/18/95/549201895.db2.gz QQCMHMLALBQTOD-HUUCEWRRSA-N 0 3 374.510 2.477 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000248387273 549425043 /nfs/dbraw/zinc/42/50/43/549425043.db2.gz ATFZXXZBFSYSOJ-CABCVRRESA-N 0 3 367.457 2.381 20 30 FEEDHN CN1CCN(c2ccc(CNC(=N)Nc3cc(F)ccc3F)cn2)CC1 ZINC000262255699 549803011 /nfs/dbraw/zinc/80/30/11/549803011.db2.gz FDJYZYZXEMDNFM-UHFFFAOYSA-N 0 3 360.412 2.038 20 30 FEEDHN COCCN(C)CCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000263714691 549924536 /nfs/dbraw/zinc/92/45/36/549924536.db2.gz DTDZQOMOSJRSGL-UHFFFAOYSA-N 0 3 357.410 2.038 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCc2nc(-c3ccccn3)no2)CC1 ZINC000264501731 549996384 /nfs/dbraw/zinc/99/63/84/549996384.db2.gz QOXXISZOGWYSEF-UHFFFAOYSA-N 0 3 355.442 2.221 20 30 FEEDHN N#CCOc1cccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000264458542 549996475 /nfs/dbraw/zinc/99/64/75/549996475.db2.gz IFFWRSVYILFIDZ-QGZVFWFLSA-N 0 3 370.453 2.004 20 30 FEEDHN CCCOc1cc(CNCCNC(=O)C2N=CC=CC2=O)ccc1OC ZINC000264938049 550004256 /nfs/dbraw/zinc/00/42/56/550004256.db2.gz FBSTYDDGKRHZQN-HNENSFHCSA-N 0 3 359.426 2.100 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCc2nnc(C)n2C1)C(C)C ZINC000265460917 550010000 /nfs/dbraw/zinc/01/00/00/550010000.db2.gz VSMQIXNJFAYIKZ-QZTJIDSGSA-N 0 3 374.533 2.147 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(NS(=O)(=O)CCC)c2)CC1 ZINC000265682541 550013404 /nfs/dbraw/zinc/01/34/04/550013404.db2.gz MPDDTKGKTMHLMM-UHFFFAOYSA-N 0 3 363.483 2.122 20 30 FEEDHN N#CCN1CCC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000266064433 550016795 /nfs/dbraw/zinc/01/67/95/550016795.db2.gz HAWCBBNNKPEBAL-IBGZPJMESA-N 0 3 354.498 2.250 20 30 FEEDHN C=CCN1CCC(Nc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000266398663 550020086 /nfs/dbraw/zinc/02/00/86/550020086.db2.gz OZEAZMYUCIPMAP-UHFFFAOYSA-N 0 3 363.405 2.415 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2CN2CCOCC2)CC1 ZINC000266836732 550024589 /nfs/dbraw/zinc/02/45/89/550024589.db2.gz MHWQGWUNGZZKFV-UHFFFAOYSA-N 0 3 357.498 2.289 20 30 FEEDHN C[C@H](NC(=O)CON=C(N)c1ccc(CN(C)C)cc1)c1cccs1 ZINC000267033238 550027279 /nfs/dbraw/zinc/02/72/79/550027279.db2.gz WGFDOWVZZFXARM-ZDUSSCGKSA-N 0 3 360.483 2.324 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000269021004 550145189 /nfs/dbraw/zinc/14/51/89/550145189.db2.gz IDQIKCKFPPPLII-GOSISDBHSA-N 0 3 366.469 2.432 20 30 FEEDHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000269847881 550230377 /nfs/dbraw/zinc/23/03/77/550230377.db2.gz XDYFAIUQCLLQBG-UHFFFAOYSA-N 0 3 371.466 2.077 20 30 FEEDHN COc1cccc(CN(CCC(=O)N(C)CCC#N)C[C@@H]2CCCO2)c1 ZINC000271492970 550379662 /nfs/dbraw/zinc/37/96/62/550379662.db2.gz FSVBEJXJSDFAJK-IBGZPJMESA-N 0 3 359.470 2.438 20 30 FEEDHN CC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)OCCO2 ZINC000271499436 550380128 /nfs/dbraw/zinc/38/01/28/550380128.db2.gz QLJNEYFZILUKSR-JGWKNBOWSA-N 0 3 357.410 2.025 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000271770604 550400612 /nfs/dbraw/zinc/40/06/12/550400612.db2.gz ITCCYLHVPKFFLE-IEBWSBKVSA-N 0 3 354.454 2.400 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000273149983 550487472 /nfs/dbraw/zinc/48/74/72/550487472.db2.gz HPHLBRXGHPLLLC-CQSZACIVSA-N 0 3 358.442 2.355 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCCCCS(C)(=O)=O)C(C)C ZINC000274896805 550563241 /nfs/dbraw/zinc/56/32/41/550563241.db2.gz FGNZFQWUFFPLQF-QGZVFWFLSA-N 0 3 373.563 2.199 20 30 FEEDHN C=C[C@H]1CCCCN1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000494907389 561478939 /nfs/dbraw/zinc/47/89/39/561478939.db2.gz IKCCQIKHPXKKMZ-SFHVURJKSA-N 0 3 358.486 2.228 20 30 FEEDHN CC(C)(C#N)CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000278283570 550768495 /nfs/dbraw/zinc/76/84/95/550768495.db2.gz QLEVRFQOGXHADR-SFHVURJKSA-N 0 3 369.513 2.382 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](Oc3ncccc3F)C2)CC1 ZINC000278468260 550789872 /nfs/dbraw/zinc/78/98/72/550789872.db2.gz QAPIKPGSFBQZNN-INIZCTEOSA-N 0 3 362.449 2.424 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000278567797 550799749 /nfs/dbraw/zinc/79/97/49/550799749.db2.gz IXJYWJSMBLSFCI-WWGRRREGSA-N 0 3 365.455 2.045 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC2(O)CCCC2)cc1 ZINC000278693164 550811930 /nfs/dbraw/zinc/81/19/30/550811930.db2.gz SIZZAHFCYVWDGV-ZDUSSCGKSA-N 0 3 365.455 2.141 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278796069 550822857 /nfs/dbraw/zinc/82/28/57/550822857.db2.gz YQXBQIZPVGRDNN-MRXNPFEDSA-N 0 3 357.454 2.416 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NC(=O)C3CCN(C4CC4)CC3)C2=O)cc1 ZINC000278823349 550825920 /nfs/dbraw/zinc/82/59/20/550825920.db2.gz PVLSWJNENHMCFN-LJQANCHMSA-N 0 3 366.465 2.044 20 30 FEEDHN C=CCc1ccc(OCC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c(OC)c1 ZINC000495551205 561489547 /nfs/dbraw/zinc/48/95/47/561489547.db2.gz UQLJNWILUPAPIS-QAPCUYQASA-N 0 3 364.511 2.307 20 30 FEEDHN C=CCCCNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000280391156 550988629 /nfs/dbraw/zinc/98/86/29/550988629.db2.gz GGMVPDMFXBQFKG-UHFFFAOYSA-N 0 3 353.850 2.301 20 30 FEEDHN C=CCCCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000280532681 551004676 /nfs/dbraw/zinc/00/46/76/551004676.db2.gz RVHZMGDFSIYFCD-UHFFFAOYSA-N 0 3 361.511 2.299 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccn(C(C)C)n1)C(C)C ZINC000280738415 551026963 /nfs/dbraw/zinc/02/69/63/551026963.db2.gz MADISKQFFHXJCR-MRXNPFEDSA-N 0 3 361.490 2.217 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C ZINC000280776185 551031053 /nfs/dbraw/zinc/03/10/53/551031053.db2.gz DRHVSFWNERLJAT-RLFYNMQTSA-N 0 3 352.438 2.146 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000280897303 551043624 /nfs/dbraw/zinc/04/36/24/551043624.db2.gz FUGVACIYOHUASO-RBUKOAKNSA-N 0 3 357.498 2.366 20 30 FEEDHN C=CCN1CC[C@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)C1=O ZINC000281145992 551068307 /nfs/dbraw/zinc/06/83/07/551068307.db2.gz JPPMJKPGOKURIZ-FQEVSTJZSA-N 0 3 354.498 2.417 20 30 FEEDHN CNC(=O)[C@@]1(C)CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000281260605 551078715 /nfs/dbraw/zinc/07/87/15/551078715.db2.gz VKTBFAGKKRDTCJ-UWJYYQICSA-N 0 3 370.497 2.397 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCCN(C(C)C)C3)CC2)o1 ZINC000281694492 551131652 /nfs/dbraw/zinc/13/16/52/551131652.db2.gz VMBWLOHWQYSQCR-INIZCTEOSA-N 0 3 359.474 2.060 20 30 FEEDHN C[C@](O)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000281763637 551140395 /nfs/dbraw/zinc/14/03/95/551140395.db2.gz YZLYKMGFERJPLR-JXFKEZNVSA-N 0 3 351.381 2.404 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCC(=O)OCC)cc2)CC1 ZINC000281966763 551163625 /nfs/dbraw/zinc/16/36/25/551163625.db2.gz DZOQKBYJRUBJSM-UHFFFAOYSA-N 0 3 361.442 2.400 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281998007 551167682 /nfs/dbraw/zinc/16/76/82/551167682.db2.gz XFYXBLSFEDMITI-UHFFFAOYSA-N 0 3 360.502 2.077 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CCC(=O)Nc2ccccc2C#N)O1 ZINC000282348794 551215022 /nfs/dbraw/zinc/21/50/22/551215022.db2.gz CLQRKYMBYDMHLX-ZSGPHXLJSA-N 0 3 371.437 2.070 20 30 FEEDHN COCC1(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCC1 ZINC000282457409 551232069 /nfs/dbraw/zinc/23/20/69/551232069.db2.gz LICNQWWHSFDGFM-UHFFFAOYSA-N 0 3 358.486 2.448 20 30 FEEDHN C=CCOc1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000497462080 561501315 /nfs/dbraw/zinc/50/13/15/561501315.db2.gz OOWYTDLCQRDDNZ-FXAWDEMLSA-N 0 3 357.498 2.349 20 30 FEEDHN Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000283232245 551333073 /nfs/dbraw/zinc/33/30/73/551333073.db2.gz RUZHJDIGVQUVJJ-KRWDZBQOSA-N 0 3 366.469 2.330 20 30 FEEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000283442165 551366578 /nfs/dbraw/zinc/36/65/78/551366578.db2.gz YWDGQOJUKATZQT-UHFFFAOYSA-N 0 3 370.501 2.398 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000283556323 551387343 /nfs/dbraw/zinc/38/73/43/551387343.db2.gz QWZWUXXSERWESR-INIZCTEOSA-N 0 3 373.497 2.338 20 30 FEEDHN CC(C)[N-]C(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(C(C)(C)C)cc1 ZINC000284535784 551571800 /nfs/dbraw/zinc/57/18/00/551571800.db2.gz VGSCTEZTHBVNKB-UHFFFAOYSA-O 0 3 360.507 2.337 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000285048289 551696573 /nfs/dbraw/zinc/69/65/73/551696573.db2.gz IILBXQDGJGJGGE-MRXNPFEDSA-N 0 3 366.483 2.230 20 30 FEEDHN COC(=O)C1CCN(CCCNC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285317303 551736967 /nfs/dbraw/zinc/73/69/67/551736967.db2.gz XIUKHDPKVKKDTD-UHFFFAOYSA-N 0 3 363.845 2.217 20 30 FEEDHN CN(CCC#N)c1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000285435868 551756675 /nfs/dbraw/zinc/75/66/75/551756675.db2.gz HSYUMUNVMWGTIG-KRWDZBQOSA-N 0 3 370.419 2.389 20 30 FEEDHN CN(C)C(=O)OC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1C#N ZINC000285512377 551767904 /nfs/dbraw/zinc/76/79/04/551767904.db2.gz ODSMSHLDGADZHP-INIZCTEOSA-N 0 3 358.442 2.440 20 30 FEEDHN CCN1C[C@@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C ZINC000498941396 561538739 /nfs/dbraw/zinc/53/87/39/561538739.db2.gz YZRKWIBSKGXARC-JKSUJKDBSA-N 0 3 366.469 2.097 20 30 FEEDHN CN1CCN(CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1(C)C ZINC000285844748 551818266 /nfs/dbraw/zinc/81/82/66/551818266.db2.gz GORXBDSDQJZARK-UHFFFAOYSA-N 0 3 360.477 2.117 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285926049 551828316 /nfs/dbraw/zinc/82/83/16/551828316.db2.gz TXYFMJFHGBDDFA-CZUORRHYSA-N 0 3 356.470 2.294 20 30 FEEDHN N#Cc1cc(C(=O)NCCCN2CCN(c3ccncc3)CC2)ccc1F ZINC000286030319 551840415 /nfs/dbraw/zinc/84/04/15/551840415.db2.gz PVQPVDHRCYPFRT-UHFFFAOYSA-N 0 3 367.428 2.034 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000286034702 551840943 /nfs/dbraw/zinc/84/09/43/551840943.db2.gz BGLRHMWJEVCXPB-ZHALLVOQSA-N 0 3 370.472 2.466 20 30 FEEDHN C=CCC[C@H](NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccco1 ZINC000286215027 551862179 /nfs/dbraw/zinc/86/21/79/551862179.db2.gz SEKHDUZDANBHIO-KRWDZBQOSA-N 0 3 369.469 2.405 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(CCCC)Cc2ccccc2O)CC1 ZINC000286427489 551885072 /nfs/dbraw/zinc/88/50/72/551885072.db2.gz GGKBCUXDBIRLIQ-UHFFFAOYSA-N 0 3 373.497 2.288 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](C)c2ccc(C)cc2)CC1 ZINC000286460994 551888050 /nfs/dbraw/zinc/88/80/50/551888050.db2.gz IBPSALRRIHPXFJ-QGZVFWFLSA-N 0 3 357.498 2.371 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000286492290 551892354 /nfs/dbraw/zinc/89/23/54/551892354.db2.gz JXVKVPXPJNWVGX-JOCHJYFZSA-N 0 3 369.509 2.333 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000499043103 561541837 /nfs/dbraw/zinc/54/18/37/561541837.db2.gz KECBGXBYRIAVOR-SFHVURJKSA-N 0 3 370.497 2.095 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)CC2(c3ccccc3)CC2)CC1 ZINC000286611413 551905800 /nfs/dbraw/zinc/90/58/00/551905800.db2.gz LIXLLYKDRXCJJT-UHFFFAOYSA-N 0 3 369.509 2.333 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000286624317 551907594 /nfs/dbraw/zinc/90/75/94/551907594.db2.gz MBRDFFWTZDKZJO-RTBURBONSA-N 0 3 355.482 2.206 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(CC(=C)C)Cc2ccccc2)CC1 ZINC000286672787 551913121 /nfs/dbraw/zinc/91/31/21/551913121.db2.gz OMMHXACXGYSKAV-UHFFFAOYSA-N 0 3 355.482 2.358 20 30 FEEDHN N#Cc1cc(NCc2ccccc2CN2CC[C@@H](O)C2)cc(N)c1[N+](=O)[O-] ZINC000286729353 551919608 /nfs/dbraw/zinc/91/96/08/551919608.db2.gz FMZGVWLHEHLXJY-QGZVFWFLSA-N 0 3 367.409 2.227 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000286964135 551945602 /nfs/dbraw/zinc/94/56/02/551945602.db2.gz AZFNZZNXIXLFAJ-LRDDRELGSA-N 0 3 363.439 2.015 20 30 FEEDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000288063658 552083942 /nfs/dbraw/zinc/08/39/42/552083942.db2.gz FWTJZDZMOIBTPO-AWEZNQCLSA-N 0 3 366.421 2.355 20 30 FEEDHN CN(CCCN(C)C(=O)C(=O)Nc1ccc(C#N)cc1F)Cc1ccco1 ZINC000288476004 552159869 /nfs/dbraw/zinc/15/98/69/552159869.db2.gz PTWGWQYILSDZIE-UHFFFAOYSA-N 0 3 372.400 2.209 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289120928 552269402 /nfs/dbraw/zinc/26/94/02/552269402.db2.gz QHPUMIQOWMXKEV-TZMCWYRMSA-N 0 3 360.845 2.235 20 30 FEEDHN C=CCOc1cccc(CN2CCC(C(=O)N3CCN(C)CC3)CC2)c1 ZINC000289913071 552398666 /nfs/dbraw/zinc/39/86/66/552398666.db2.gz VDHZWIPNRWOCQC-UHFFFAOYSA-N 0 3 357.498 2.237 20 30 FEEDHN C[C@](C#N)(NC(=O)CN[C@H]1c2ccccc2CC12CCOCC2)C1CC1 ZINC000290051066 552420440 /nfs/dbraw/zinc/42/04/40/552420440.db2.gz DLEIFKUGQIVJLX-VQTJNVASSA-N 0 3 353.466 2.479 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2noc(COC(C)C)n2)CC1 ZINC000290759160 552533537 /nfs/dbraw/zinc/53/35/37/552533537.db2.gz PUJRFXMSBDQMKT-CYBMUJFWSA-N 0 3 351.451 2.005 20 30 FEEDHN COc1cccc(NC(=O)CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292241080 552708003 /nfs/dbraw/zinc/70/80/03/552708003.db2.gz QGBGCXPWJLBDDO-GOSISDBHSA-N 0 3 366.421 2.444 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H]1N(C)C ZINC000293317561 552810904 /nfs/dbraw/zinc/81/09/04/552810904.db2.gz FJAWZEWIYBRSKW-NEPJUHHUSA-N 0 3 358.389 2.090 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000293522229 552832179 /nfs/dbraw/zinc/83/21/79/552832179.db2.gz YMWYQDMSJWHHBW-CQSZACIVSA-N 0 3 354.454 2.138 20 30 FEEDHN C#CCN(C)CCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000294103239 552882035 /nfs/dbraw/zinc/88/20/35/552882035.db2.gz YNKKNZMHSIBVHG-ZHACJKMWSA-N 0 3 367.493 2.010 20 30 FEEDHN CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000294833960 552937711 /nfs/dbraw/zinc/93/77/11/552937711.db2.gz REGRNAVBIQPTIR-QZTJIDSGSA-N 0 3 364.449 2.004 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)N(C)C1CC1 ZINC000296438803 553160002 /nfs/dbraw/zinc/16/00/02/553160002.db2.gz FDDUQSMEUYQXMK-LLVKDONJSA-N 0 3 362.499 2.455 20 30 FEEDHN N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000296762424 553208396 /nfs/dbraw/zinc/20/83/96/553208396.db2.gz UZRCBEHFOVYGIB-ZYSHUDEJSA-N 0 3 356.470 2.135 20 30 FEEDHN CN(CCNC(=O)OC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000297061952 553248444 /nfs/dbraw/zinc/24/84/44/553248444.db2.gz WFSKRCRXQQDGFS-MRXNPFEDSA-N 0 3 356.426 2.224 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000297509515 553301835 /nfs/dbraw/zinc/30/18/35/553301835.db2.gz OYYMDWYJIDIQOA-VQTJNVASSA-N 0 3 365.481 2.366 20 30 FEEDHN C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000297635672 553318378 /nfs/dbraw/zinc/31/83/78/553318378.db2.gz IHKBMDKOXXELNY-LMMKCTJWSA-N 0 3 370.497 2.116 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000298177637 553394532 /nfs/dbraw/zinc/39/45/32/553394532.db2.gz CZECANQGUYZFIC-OAQYLSRUSA-N 0 3 355.482 2.146 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000298226332 553400516 /nfs/dbraw/zinc/40/05/16/553400516.db2.gz AQWBNGHQQPYEER-IBGZPJMESA-N 0 3 365.433 2.061 20 30 FEEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN[C@H]3C(=O)NCC[C@H]3C)sc2C1 ZINC000298374110 553418144 /nfs/dbraw/zinc/41/81/44/553418144.db2.gz DBFMSWHKILMMAI-PSTGCABASA-N 0 3 374.510 2.187 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000298614281 553449343 /nfs/dbraw/zinc/44/93/43/553449343.db2.gz RQWKNRXVSLBMKY-SFHVURJKSA-N 0 3 373.497 2.010 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000298874360 553483514 /nfs/dbraw/zinc/48/35/14/553483514.db2.gz LWDVEFJPHHDWMD-QWHCGFSZSA-N 0 3 373.457 2.021 20 30 FEEDHN C[C@H](C#N)CN(C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000298962108 553495793 /nfs/dbraw/zinc/49/57/93/553495793.db2.gz NBRWLTPMYHFNPO-LJQANCHMSA-N 0 3 371.529 2.385 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1cnc2ccccc21 ZINC000299151042 553522009 /nfs/dbraw/zinc/52/20/09/553522009.db2.gz LAJPZQZNCPLANG-UHFFFAOYSA-N 0 3 361.449 2.498 20 30 FEEDHN COc1cccc(OC)c1OC[C@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000299222339 553532590 /nfs/dbraw/zinc/53/25/90/553532590.db2.gz LRLFDQFUWCQDTF-QGZVFWFLSA-N 0 3 356.422 2.447 20 30 FEEDHN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)N1CCc2ccccc2C1 ZINC000301364860 553645505 /nfs/dbraw/zinc/64/55/05/553645505.db2.gz RUCVFQRPQFYQTB-AWEZNQCLSA-N 0 3 370.478 2.064 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCN1CCCC1(C)C ZINC000602951596 553677982 /nfs/dbraw/zinc/67/79/82/553677982.db2.gz RHHBSMXLTKCUSJ-UHFFFAOYSA-N 0 3 367.457 2.443 20 30 FEEDHN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000505621230 561675478 /nfs/dbraw/zinc/67/54/78/561675478.db2.gz PTWOURCPSXDSAW-IBGZPJMESA-N 0 3 361.511 2.297 20 30 FEEDHN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328752693 553816429 /nfs/dbraw/zinc/81/64/29/553816429.db2.gz RYTSJBZYEPRKTK-SRIISGBFSA-N 0 3 365.518 2.214 20 30 FEEDHN Cc1cc([C@@H]2CCCN(C(=O)NC[C@]3(N(C)C)CCSC3)C2)[nH]n1 ZINC000328758905 553817627 /nfs/dbraw/zinc/81/76/27/553817627.db2.gz WAPKNPYUZWUALY-RHSMWYFYSA-N 0 3 351.520 2.249 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)CCN1C ZINC000328821226 553827673 /nfs/dbraw/zinc/82/76/73/553827673.db2.gz FPQBAHGFBQAKDU-UMHPPVOVSA-N 0 3 373.501 2.301 20 30 FEEDHN CN(C(=O)NC(C)(C)CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000328898393 553841007 /nfs/dbraw/zinc/84/10/07/553841007.db2.gz WQIGDDBQHYOYOF-OAHLLOKOSA-N 0 3 359.536 2.064 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)C1 ZINC000329003269 553862614 /nfs/dbraw/zinc/86/26/14/553862614.db2.gz YBCMFLIKYNLAFV-QGZVFWFLSA-N 0 3 350.507 2.252 20 30 FEEDHN CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CN2CCC1CC2 ZINC000329072849 553875344 /nfs/dbraw/zinc/87/53/44/553875344.db2.gz OMTGAMPPZXGLOO-FQEVSTJZSA-N 0 3 370.472 2.466 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329166307 553893357 /nfs/dbraw/zinc/89/33/57/553893357.db2.gz HWRHKHKPNINQJQ-MRXNPFEDSA-N 0 3 362.518 2.394 20 30 FEEDHN CN1CCC(Nc2ccccc2NC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000329179852 553896711 /nfs/dbraw/zinc/89/67/11/553896711.db2.gz MUWCIBHDZKOFLA-ZDUSSCGKSA-N 0 3 351.472 2.215 20 30 FEEDHN O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000329194225 553899985 /nfs/dbraw/zinc/89/99/85/553899985.db2.gz UOPKERKASGFWFU-FUHWJXTLSA-N 0 3 362.518 2.394 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)[C@@H]2C1 ZINC000329242005 553909505 /nfs/dbraw/zinc/90/95/05/553909505.db2.gz AAEHXXAUPFOYNR-QFBILLFUSA-N 0 3 370.497 2.497 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)[C@H]2C1 ZINC000329242004 553909465 /nfs/dbraw/zinc/90/94/65/553909465.db2.gz AAEHXXAUPFOYNR-LPHOPBHVSA-N 0 3 370.497 2.497 20 30 FEEDHN CC[C@@H]1CN(C(=O)NC2CCN(C3CCCC3)CC2)C[C@H](C)S1(=O)=O ZINC000329257114 553912478 /nfs/dbraw/zinc/91/24/78/553912478.db2.gz DVEPHPPOJYYOOR-WMLDXEAASA-N 0 3 371.547 2.205 20 30 FEEDHN Cc1cc(C)n(-c2ccc(CNC(=O)N[C@@H]3CCN(C4CC4)C3)cn2)n1 ZINC000329284575 553917850 /nfs/dbraw/zinc/91/78/50/553917850.db2.gz GDARJCIPXFVRTQ-MRXNPFEDSA-N 0 3 354.458 2.124 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)[C@H]2C1 ZINC000329296262 553919548 /nfs/dbraw/zinc/91/95/48/553919548.db2.gz STZPWTDYSNWWOH-FMKPAKJESA-N 0 3 363.893 2.254 20 30 FEEDHN CCc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000329326801 553925892 /nfs/dbraw/zinc/92/58/92/553925892.db2.gz WVSDKKPHANQTCY-GOSISDBHSA-N 0 3 370.497 2.158 20 30 FEEDHN Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CCN(C)[C@@H]3c3ccccc3)CCO2)no1 ZINC000329357343 553931756 /nfs/dbraw/zinc/93/17/56/553931756.db2.gz WPGLQVWNQJJHKD-IXDOHACOSA-N 0 3 371.441 2.111 20 30 FEEDHN CN(C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@H]1CN2CCC1CC2 ZINC000329426968 553944702 /nfs/dbraw/zinc/94/47/02/553944702.db2.gz GPWZDVQQAQDFRB-MJGOQNOKSA-N 0 3 370.497 2.497 20 30 FEEDHN CC(C)[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1nnc2ccccn21 ZINC000329468456 553952292 /nfs/dbraw/zinc/95/22/92/553952292.db2.gz XIUSPNJDXRRHHV-UXLLHSPISA-N 0 3 356.474 2.366 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)Nc2ncn(C(C)(C)C)n2)CN1Cc1ccccc1 ZINC000329720542 553994967 /nfs/dbraw/zinc/99/49/67/553994967.db2.gz BRKUBUZEQOODPD-ZBFHGGJFSA-N 0 3 356.474 3.022 20 30 FEEDHN O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329723181 553995530 /nfs/dbraw/zinc/99/55/30/553995530.db2.gz CRKQPVFIAMYASC-IAGOWNOFSA-N 0 3 357.458 2.263 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)Nc3cccc4c3OCO4)CC2)CC1 ZINC000329794005 554006826 /nfs/dbraw/zinc/00/68/26/554006826.db2.gz VUXMGKDIDWKRPC-UHFFFAOYSA-N 0 3 374.485 2.310 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)CCN1C ZINC000329800657 554008572 /nfs/dbraw/zinc/00/85/72/554008572.db2.gz IUAWODNSWYYWEQ-NVXWUHKLSA-N 0 3 350.507 2.108 20 30 FEEDHN CC1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)CC2)CC1 ZINC000329818487 554011486 /nfs/dbraw/zinc/01/14/86/554011486.db2.gz XEXZIRSFKJNBHF-FUHWJXTLSA-N 0 3 364.534 2.354 20 30 FEEDHN CN(CC1CCN(C)CC1)C(=O)NC1CCN(c2nccs2)CC1 ZINC000329824089 554012777 /nfs/dbraw/zinc/01/27/77/554012777.db2.gz ZWMYZGSZUDYOSR-UHFFFAOYSA-N 0 3 351.520 2.300 20 30 FEEDHN C[C@H](c1nccs1)N1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000329882208 554023860 /nfs/dbraw/zinc/02/38/60/554023860.db2.gz POUMEGVBWYFKDV-FMKPAKJESA-N 0 3 363.531 2.218 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCn3ncnc3C2)CCN1Cc1ccccc1 ZINC000329952429 554037737 /nfs/dbraw/zinc/03/77/37/554037737.db2.gz IUOFZKOCZZECKX-NVXWUHKLSA-N 0 3 354.458 2.061 20 30 FEEDHN CN(Cc1ccccc1NC(=O)[C@H]1CCCN1C)C(=O)[C@H]1CCCN1C ZINC000329959220 554038952 /nfs/dbraw/zinc/03/89/52/554038952.db2.gz QMKDHWJGLHBBRT-QZTJIDSGSA-N 0 3 358.486 2.421 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1=O ZINC000330257988 554094643 /nfs/dbraw/zinc/09/46/43/554094643.db2.gz RAQQHQCXKZPNEU-QZTJIDSGSA-N 0 3 358.486 2.164 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000330261778 554095349 /nfs/dbraw/zinc/09/53/49/554095349.db2.gz PIXASAAHBKHGHG-DZJNRPSUSA-N 0 3 363.502 2.043 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000330261779 554095382 /nfs/dbraw/zinc/09/53/82/554095382.db2.gz PIXASAAHBKHGHG-OWLYRPNTSA-N 0 3 363.502 2.043 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330268384 554096364 /nfs/dbraw/zinc/09/63/64/554096364.db2.gz RDOZCPDMBKMFNL-IKGGRYGDSA-N 0 3 353.507 2.339 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000330306738 554102844 /nfs/dbraw/zinc/10/28/44/554102844.db2.gz RRBFUGWLVGISHB-ATZDWAIDSA-N 0 3 359.470 2.416 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(N3CCC3=O)c2)cc1 ZINC000508235881 561756108 /nfs/dbraw/zinc/75/61/08/561756108.db2.gz KHYDPSHKFJKXIB-GOSISDBHSA-N 0 3 358.401 2.294 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000330913674 554187550 /nfs/dbraw/zinc/18/75/50/554187550.db2.gz RRRSAARUGJIXMX-ZNMIVQPWSA-N 0 3 367.490 2.483 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000330913673 554187617 /nfs/dbraw/zinc/18/76/17/554187617.db2.gz RRRSAARUGJIXMX-RBSFLKMASA-N 0 3 367.490 2.483 20 30 FEEDHN CC(C)CNC(=O)NC(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000330915036 554188015 /nfs/dbraw/zinc/18/80/15/554188015.db2.gz JPANFDYLQPKRJM-YYIAUSFCSA-N 0 3 353.507 2.324 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC(C)(C)C2)cc1 ZINC000331198223 554229633 /nfs/dbraw/zinc/22/96/33/554229633.db2.gz VJOIIRMBTJDRAB-LBPRGKRZSA-N 0 3 351.428 2.015 20 30 FEEDHN Cc1c(C(=O)NCCN2CCCC(C)(C)C2)cccc1S(N)(=O)=O ZINC000331301082 554244038 /nfs/dbraw/zinc/24/40/38/554244038.db2.gz RIQAWCJUTWKCBZ-UHFFFAOYSA-N 0 3 353.488 2.069 20 30 FEEDHN CC(C)(CC[NH+]1CCCCCC1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000331449148 554266052 /nfs/dbraw/zinc/26/60/52/554266052.db2.gz CMOAFYUBAVWHKK-UHFFFAOYSA-N 0 3 350.488 2.276 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000508964733 561779483 /nfs/dbraw/zinc/77/94/83/561779483.db2.gz VDWNBSISORUFTH-KRWDZBQOSA-N 0 3 372.469 2.275 20 30 FEEDHN N#Cc1ccc(CNCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000509406354 561798219 /nfs/dbraw/zinc/79/82/19/561798219.db2.gz WDFMZXMTXDHFMY-UHFFFAOYSA-N 0 3 367.833 2.419 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@](C)(O)CC2)cc1 ZINC000332366059 554433324 /nfs/dbraw/zinc/43/33/24/554433324.db2.gz YKMDFGBHNZEPIB-SUMWQHHRSA-N 0 3 365.455 2.141 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N([C@@H](CN(C)Cc2ccccc2)C(C)C)C1=O ZINC000348577014 554689215 /nfs/dbraw/zinc/68/92/15/554689215.db2.gz LKGBJUOJTBQGLZ-MSOLQXFVSA-N 0 3 359.470 2.266 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)CC1 ZINC000360791317 554890243 /nfs/dbraw/zinc/89/02/43/554890243.db2.gz FKTDSINDJFOGRV-HXUWFJFHSA-N 0 3 361.461 2.469 20 30 FEEDHN CN(CCC(=O)Nc1sccc1C#N)C[C@H](O)COCc1ccccc1 ZINC000511618784 561874815 /nfs/dbraw/zinc/87/48/15/561874815.db2.gz SQBXEROOQBSLHM-KRWDZBQOSA-N 0 3 373.478 2.458 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000362971806 555004435 /nfs/dbraw/zinc/00/44/35/555004435.db2.gz YXUDMVFURRREMY-OALUTQOASA-N 0 3 356.470 2.343 20 30 FEEDHN N#Cc1cccc(CNC(=O)CN2CCCN(Cc3ccccc3)CC2)c1 ZINC000363085615 555027163 /nfs/dbraw/zinc/02/71/63/555027163.db2.gz ZIUWIDGOCICZKE-UHFFFAOYSA-N 0 3 362.477 2.382 20 30 FEEDHN C=CCn1c(C)cc(C(=O)CN2CCN([C@H]3CCCN(C)C3)CC2)c1C ZINC000363219851 555057200 /nfs/dbraw/zinc/05/72/00/555057200.db2.gz WNCOQOVRPSUOMG-IBGZPJMESA-N 0 3 358.530 2.185 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCN3CCCCC3)C2)n1 ZINC000363327258 555078900 /nfs/dbraw/zinc/07/89/00/555078900.db2.gz LWNUGZHMSFPKBM-GOSISDBHSA-N 0 3 355.486 2.080 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCCN(Cc3ccccc3F)CC2)CC1 ZINC000363625329 555149560 /nfs/dbraw/zinc/14/95/60/555149560.db2.gz AEYIMCUUULRNSW-UHFFFAOYSA-N 0 3 357.473 2.205 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000363709075 555168768 /nfs/dbraw/zinc/16/87/68/555168768.db2.gz LBLXYZHMPIKOBR-UYAOXDASSA-N 0 3 371.481 2.331 20 30 FEEDHN C=CCC(CC=C)C(=O)NCc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000363938593 555217819 /nfs/dbraw/zinc/21/78/19/555217819.db2.gz OWVPNPYHPIINFR-UHFFFAOYSA-N 0 3 359.518 2.255 20 30 FEEDHN COC(=O)c1cn([C@@H]2CCCN(CCCOc3cccc(C#N)c3)C2)nn1 ZINC000363999326 555230561 /nfs/dbraw/zinc/23/05/61/555230561.db2.gz JGDMWYNJSGEHAP-MRXNPFEDSA-N 0 3 369.425 2.042 20 30 FEEDHN Cc1c(C(=O)N[C@@](C)(C#N)C(C)C)nnn1-c1cccc2c1CCN(C)C2 ZINC000364168744 555262092 /nfs/dbraw/zinc/26/20/92/555262092.db2.gz RMLPCZKOCUOPGR-FQEVSTJZSA-N 0 3 366.469 2.232 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H](N)[C@H](c2ccc(F)cc2)C1 ZINC000364186543 555265693 /nfs/dbraw/zinc/26/56/93/555265693.db2.gz XZZFGRMOSJLZED-IRXDYDNUSA-N 0 3 359.426 2.121 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000364186544 555265876 /nfs/dbraw/zinc/26/58/76/555265876.db2.gz XZZFGRMOSJLZED-SJORKVTESA-N 0 3 359.426 2.121 20 30 FEEDHN CC(C)N1CCN(C2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000364476467 555320644 /nfs/dbraw/zinc/32/06/44/555320644.db2.gz DWGPAFFNUZCCAC-UHFFFAOYSA-N 0 3 358.461 2.328 20 30 FEEDHN CO/N=C/c1ccc(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000364544618 555334092 /nfs/dbraw/zinc/33/40/92/555334092.db2.gz LHHYROFJVRJYSL-XOPIFYDTSA-N 0 3 359.470 2.286 20 30 FEEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000364872776 555421786 /nfs/dbraw/zinc/42/17/86/555421786.db2.gz NNXVWFNOEFUXHL-CJNGLKHVSA-N 0 3 351.834 2.019 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(c4ccccc4C#N)C3)[C@@H]2C1 ZINC000364990310 555458308 /nfs/dbraw/zinc/45/83/08/555458308.db2.gz WLBRYUXFCPDENO-IMFGXOCKSA-N 0 3 367.497 2.263 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4C#N)C3)[C@@H]2C1 ZINC000364990313 555459266 /nfs/dbraw/zinc/45/92/66/555459266.db2.gz WLBRYUXFCPDENO-YVWKXTFCSA-N 0 3 367.497 2.263 20 30 FEEDHN N#Cc1ncn(CCNCc2ccc(OC(F)F)c(Br)c2)n1 ZINC000512898764 561919257 /nfs/dbraw/zinc/91/92/57/561919257.db2.gz JIBVUASAXKBKRA-UHFFFAOYSA-N 0 3 372.173 2.303 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000365324435 555543200 /nfs/dbraw/zinc/54/32/00/555543200.db2.gz OBGWHNSOARQGHN-QGZVFWFLSA-N 0 3 363.396 2.123 20 30 FEEDHN C=CCOc1ccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1OC ZINC000365337606 555547003 /nfs/dbraw/zinc/54/70/03/555547003.db2.gz CVLXNRZJXGHJSZ-GOSISDBHSA-N 0 3 373.497 2.112 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)CC1 ZINC000366177765 555773507 /nfs/dbraw/zinc/77/35/07/555773507.db2.gz LASURTBANQQSLO-QGZVFWFLSA-N 0 3 371.547 2.026 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1=O ZINC000366821075 555943791 /nfs/dbraw/zinc/94/37/91/555943791.db2.gz QEXDFGRBDFWSJQ-LJQANCHMSA-N 0 3 370.497 2.079 20 30 FEEDHN COc1cc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)ccc1C#N ZINC000366918898 555969930 /nfs/dbraw/zinc/96/99/30/555969930.db2.gz ANQMCVFGHMFJIA-MRXNPFEDSA-N 0 3 350.422 2.034 20 30 FEEDHN C#CC[C@]1(C(=O)NC2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000367326020 556018970 /nfs/dbraw/zinc/01/89/70/556018970.db2.gz HLEDAERNVSTAPR-HXUWFJFHSA-N 0 3 363.502 2.380 20 30 FEEDHN C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCN1C1CCN(C)CC1 ZINC000367454275 556054264 /nfs/dbraw/zinc/05/42/64/556054264.db2.gz NZGHKQOCLPSXLN-LXXRFIIISA-N 0 3 352.482 2.198 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@H]21 ZINC000367843985 556152386 /nfs/dbraw/zinc/15/23/86/556152386.db2.gz RLQDHHXZUOPAMX-GPMSIDNRSA-N 0 3 356.445 2.076 20 30 FEEDHN CN(C)C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc2O1 ZINC000367948776 556179824 /nfs/dbraw/zinc/17/98/24/556179824.db2.gz XCMOYUSPGIWCDV-KRWDZBQOSA-N 0 3 371.462 2.217 20 30 FEEDHN C=CCN(C(=O)C[C@H]1CCCC(=O)N1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000367953955 556181750 /nfs/dbraw/zinc/18/17/50/556181750.db2.gz YFNBQTCYQSPMFB-RTBURBONSA-N 0 3 355.482 2.334 20 30 FEEDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000368497437 556326677 /nfs/dbraw/zinc/32/66/77/556326677.db2.gz YPTBHHXTHZUSBZ-GLZQIGESSA-N 0 3 360.845 2.185 20 30 FEEDHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000368664017 556378538 /nfs/dbraw/zinc/37/85/38/556378538.db2.gz SYGSGPSIMJEJCF-HZPDHXFCSA-N 0 3 360.483 2.424 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000368741565 556402644 /nfs/dbraw/zinc/40/26/44/556402644.db2.gz UTYNFFZZSRGNSE-UHFFFAOYSA-N 0 3 358.461 2.187 20 30 FEEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCCCNC1=O ZINC000368891370 556440516 /nfs/dbraw/zinc/44/05/16/556440516.db2.gz DBQGATORWVBOAG-OAHLLOKOSA-N 0 3 374.510 2.428 20 30 FEEDHN C=CCN(C(=O)N[C@H](C)c1nncn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368924142 556449775 /nfs/dbraw/zinc/44/97/75/556449775.db2.gz HWWFTGKTLBSHQQ-SJLPKXTDSA-N 0 3 368.485 2.348 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000369392460 556588529 /nfs/dbraw/zinc/58/85/29/556588529.db2.gz AIEICOMPFPASPT-IBGZPJMESA-N 0 3 372.513 2.173 20 30 FEEDHN CN1CCN(CC2(C)CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1 ZINC000369393191 556589058 /nfs/dbraw/zinc/58/90/58/556589058.db2.gz WIXHOFBVQDBKNS-UHFFFAOYSA-N 0 3 353.514 2.296 20 30 FEEDHN CN1CC[C@H](CNC(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1cccc(Cl)c1 ZINC000369403173 556592442 /nfs/dbraw/zinc/59/24/42/556592442.db2.gz UNMNSGRFKPLFNM-OIISXLGYSA-N 0 3 362.861 2.267 20 30 FEEDHN CN1CCN(CCNCc2cnc3ccc(C#N)cn23)[C@H](c2ccccc2)C1 ZINC000369480653 556608556 /nfs/dbraw/zinc/60/85/56/556608556.db2.gz QZDGLDSSEYJYDA-NRFANRHFSA-N 0 3 374.492 2.284 20 30 FEEDHN CCOc1ccccc1NC(=O)CCN1CCC(n2cnc(C#N)n2)CC1 ZINC000369730785 556679736 /nfs/dbraw/zinc/67/97/36/556679736.db2.gz RIEYAOLKOBRMSA-UHFFFAOYSA-N 0 3 368.441 2.214 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000369756201 556686179 /nfs/dbraw/zinc/68/61/79/556686179.db2.gz DKJOKEJSWSBEOJ-FQEVSTJZSA-N 0 3 367.493 2.090 20 30 FEEDHN C#CCCN1CCC(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000369757869 556686735 /nfs/dbraw/zinc/68/67/35/556686735.db2.gz QABMLJFCMJXIKS-UHFFFAOYSA-N 0 3 367.493 2.143 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1=O ZINC000369855753 556713712 /nfs/dbraw/zinc/71/37/12/556713712.db2.gz JDNDOYBWEKIBBG-MOPGFXCFSA-N 0 3 370.497 2.079 20 30 FEEDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370001283 556754537 /nfs/dbraw/zinc/75/45/37/556754537.db2.gz ZTONEQLVWJELIP-ZFWWWQNUSA-N 0 3 368.416 2.583 20 30 FEEDHN CN1CCC[C@H](N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C1 ZINC000370879731 557000089 /nfs/dbraw/zinc/00/00/89/557000089.db2.gz XZXUPKSGCXJAOQ-PMACEKPBSA-N 0 3 369.513 2.453 20 30 FEEDHN CN(C)CCn1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)n1 ZINC000517038947 562072915 /nfs/dbraw/zinc/07/29/15/562072915.db2.gz SDPJIALAZBYNDP-OAHLLOKOSA-N 0 3 365.359 2.458 20 30 FEEDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1N[C@H]1CCCN(c2ccccc2C#N)C1 ZINC000371552895 557219860 /nfs/dbraw/zinc/21/98/60/557219860.db2.gz KBSYUBDUARDFIO-YQVWRLOYSA-N 0 3 361.511 2.472 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000371558729 557222170 /nfs/dbraw/zinc/22/21/70/557222170.db2.gz BEHATCLKMLPFID-HXUWFJFHSA-N 0 3 366.509 2.482 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000517982141 562101976 /nfs/dbraw/zinc/10/19/76/562101976.db2.gz DNRCUXSJETYXGC-UHFFFAOYSA-N 0 3 361.398 2.136 20 30 FEEDHN CN(Cc1cnc2c(C#N)cnn2c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000518187986 562106064 /nfs/dbraw/zinc/10/60/64/562106064.db2.gz SSOGAZGHLZXPQD-UHFFFAOYSA-N 0 3 374.448 2.338 20 30 FEEDHN C=CCn1c(CC2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000518442900 562111552 /nfs/dbraw/zinc/11/15/52/562111552.db2.gz BSCDIOSSDBISKV-LJQANCHMSA-N 0 3 372.561 2.413 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](c2ccccc2OC)N(C)C)CC1 ZINC000519292816 562128741 /nfs/dbraw/zinc/12/87/41/562128741.db2.gz JCNAQJXFZHVFRX-SFHVURJKSA-N 0 3 360.502 2.248 20 30 FEEDHN C=CCN(C(=O)CSc1nncn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372603423 557518054 /nfs/dbraw/zinc/51/80/54/557518054.db2.gz ZEVKHPFNVOOGDG-KRWDZBQOSA-N 0 3 371.510 2.196 20 30 FEEDHN C=CCN(C(=O)CSc1nncn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372603424 557518458 /nfs/dbraw/zinc/51/84/58/557518458.db2.gz ZEVKHPFNVOOGDG-QGZVFWFLSA-N 0 3 371.510 2.196 20 30 FEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372900037 557584590 /nfs/dbraw/zinc/58/45/90/557584590.db2.gz AWBUUSGSFHTRRK-KWLPKCRUSA-N 0 3 374.529 2.250 20 30 FEEDHN CN1CC=C(CNC(=O)NCC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000373216149 557651763 /nfs/dbraw/zinc/65/17/63/557651763.db2.gz LWMDKRJIKSPXAF-UHFFFAOYSA-N 0 3 367.497 2.336 20 30 FEEDHN C[C@@H]1[C@H](C)NCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000520204342 562150483 /nfs/dbraw/zinc/15/04/83/562150483.db2.gz ANVIPQQQQNMIBS-HOBHPSKFSA-N 0 3 357.458 2.035 20 30 FEEDHN Cc1cc(=NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)[nH]n1CCC#N ZINC000373410791 557688754 /nfs/dbraw/zinc/68/87/54/557688754.db2.gz CKPYDVAUDPOPNV-SFHVURJKSA-N 0 3 366.469 2.749 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCN(c3ccccn3)CC2)cc1 ZINC000373443741 557694787 /nfs/dbraw/zinc/69/47/87/557694787.db2.gz UMFOTHNMHBYCGA-LJQANCHMSA-N 0 3 359.433 2.374 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(CC(F)F)CC1)C(C)C ZINC000520283369 562152551 /nfs/dbraw/zinc/15/25/51/562152551.db2.gz DSAAQTQLNWTTEY-INIZCTEOSA-N 0 3 358.477 2.277 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000373700197 557741279 /nfs/dbraw/zinc/74/12/79/557741279.db2.gz LSGCVXREKOXSAT-VQIMIIECSA-N 0 3 368.481 2.040 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)CC1 ZINC000520561767 562159008 /nfs/dbraw/zinc/15/90/08/562159008.db2.gz CIEBXTGYVJFMGM-UHFFFAOYSA-N 0 3 369.473 2.105 20 30 FEEDHN CN(C)Cc1ccc(C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374332394 557867308 /nfs/dbraw/zinc/86/73/08/557867308.db2.gz RRUMUPNMYFRMRQ-VGOFRKELSA-N 0 3 374.444 2.234 20 30 FEEDHN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC2CC(C#N)(c3ccccc3)C2)C1 ZINC000374587573 557902823 /nfs/dbraw/zinc/90/28/23/557902823.db2.gz UCNWHQVJVAXQEQ-BQSYYEAHSA-N 0 3 371.481 2.428 20 30 FEEDHN CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCCSCC#N)C1 ZINC000374776526 557929687 /nfs/dbraw/zinc/92/96/87/557929687.db2.gz FUWAYYYEYYYCGL-CYBMUJFWSA-N 0 3 350.492 2.377 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@H]21 ZINC000375018185 557964794 /nfs/dbraw/zinc/96/47/94/557964794.db2.gz IULDCJLKDGWDPJ-CRAIPNDOSA-N 0 3 354.454 2.220 20 30 FEEDHN Cc1ncccc1O[C@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000375457484 558030739 /nfs/dbraw/zinc/03/07/39/558030739.db2.gz JZJYHYUUPQCYNB-MJGOQNOKSA-N 0 3 353.422 2.155 20 30 FEEDHN C[C@H](CC#N)N(C)S(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000375699260 558069435 /nfs/dbraw/zinc/06/94/35/558069435.db2.gz XHDABAAGTMOHIU-MRXNPFEDSA-N 0 3 356.536 2.053 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000521560792 562178776 /nfs/dbraw/zinc/17/87/76/562178776.db2.gz XXGUIWAFJFPYJR-MJGOQNOKSA-N 0 3 360.479 2.186 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(-c3nc[nH]n3)c2)cc1 ZINC000375871924 558092111 /nfs/dbraw/zinc/09/21/11/558092111.db2.gz LZQWTNKARQFRTA-GOSISDBHSA-N 0 3 356.389 2.342 20 30 FEEDHN C=CCN1CCC(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)CC1 ZINC000521570267 562178958 /nfs/dbraw/zinc/17/89/58/562178958.db2.gz ACFQOYPJKOTPMY-UHFFFAOYSA-N 0 3 374.466 2.298 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000375891359 558094617 /nfs/dbraw/zinc/09/46/17/558094617.db2.gz QMESIMOJQCCGDE-IBGZPJMESA-N 0 3 372.513 2.046 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376571594 558192348 /nfs/dbraw/zinc/19/23/48/558192348.db2.gz BWSWIEHUAZTECJ-YOEHRIQHSA-N 0 3 365.441 2.229 20 30 FEEDHN COc1cc(CNC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000376609331 558197272 /nfs/dbraw/zinc/19/72/72/558197272.db2.gz IVHVGBLGHGYQJY-VQTJNVASSA-N 0 3 351.450 2.292 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000377211339 558289408 /nfs/dbraw/zinc/28/94/08/558289408.db2.gz CSRXJRUBEBMTBU-NJYVYQBISA-N 0 3 369.509 2.252 20 30 FEEDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1cccc(F)c1C#N ZINC000377618695 558378133 /nfs/dbraw/zinc/37/81/33/558378133.db2.gz BBNHKSSBUJGAOW-UHFFFAOYSA-N 0 3 356.449 2.493 20 30 FEEDHN C[C@]1(C2CCN(Cc3cccc(OCCCC#N)c3)CC2)NC(=O)NC1=O ZINC000378339107 558533085 /nfs/dbraw/zinc/53/30/85/558533085.db2.gz DOKSMDZYHRZOIL-HXUWFJFHSA-N 0 3 370.453 2.179 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000408137666 558650819 /nfs/dbraw/zinc/65/08/19/558650819.db2.gz GWUPDQSVCBJZSM-QGZVFWFLSA-N 0 3 362.518 2.071 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000409496831 558697587 /nfs/dbraw/zinc/69/75/87/558697587.db2.gz YUXWOCCBAMGZET-WMZOPIPTSA-N 0 3 364.515 2.109 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000409509288 558699064 /nfs/dbraw/zinc/69/90/64/558699064.db2.gz IWJLGHWJVVRWFV-SFHVURJKSA-N 0 3 366.531 2.213 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000409550459 558702590 /nfs/dbraw/zinc/70/25/90/558702590.db2.gz FMJSUMVZEZUBRA-MRXNPFEDSA-N 0 3 364.515 2.098 20 30 FEEDHN C=CCN(CCOC[C@@H]1CCCO1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000525487016 562249356 /nfs/dbraw/zinc/24/93/56/562249356.db2.gz QZYCKIYTPUZHTQ-LPHOPBHVSA-N 0 3 357.458 2.407 20 30 FEEDHN C=CC[C@H](C(=O)N[C@H](C)C(=O)NCCN1CCCCC1)c1ccccc1 ZINC000412325935 559028075 /nfs/dbraw/zinc/02/80/75/559028075.db2.gz ZDVZHKVFQVICII-MJGOQNOKSA-N 0 3 357.498 2.453 20 30 FEEDHN Cc1cc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)ncc1C#N ZINC000412773864 559055491 /nfs/dbraw/zinc/05/54/91/559055491.db2.gz NVXMJHCSABBRNF-UHFFFAOYSA-N 0 3 364.449 2.019 20 30 FEEDHN C=CCCCN(C)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413828899 559133370 /nfs/dbraw/zinc/13/33/70/559133370.db2.gz AWSFFCXRKCARDU-UHFFFAOYSA-N 0 3 372.513 2.492 20 30 FEEDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000415117907 559206268 /nfs/dbraw/zinc/20/62/68/559206268.db2.gz CPEDYBSVDYCZDZ-CABZTGNLSA-N 0 3 354.357 2.394 20 30 FEEDHN CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)[C@@H](C)CN)sc2C1 ZINC000415419993 559233565 /nfs/dbraw/zinc/23/35/65/559233565.db2.gz RTQFJAOYSKBHNA-RYUDHWBXSA-N 0 3 362.499 2.125 20 30 FEEDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416481157 559316277 /nfs/dbraw/zinc/31/62/77/559316277.db2.gz BGDOPPDATHXHKW-NSHDSACASA-N 0 3 374.304 2.328 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419064081 559426858 /nfs/dbraw/zinc/42/68/58/559426858.db2.gz XGJAYIXYOJFABE-RBUKOAKNSA-N 0 3 357.498 2.314 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C(=O)OC)s2)CC1 ZINC000422166759 559568954 /nfs/dbraw/zinc/56/89/54/559568954.db2.gz QNTRSFUZGNLVQA-UHFFFAOYSA-N 0 3 351.472 2.374 20 30 FEEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422299240 559576651 /nfs/dbraw/zinc/57/66/51/559576651.db2.gz LZTKSBBIRLYBMJ-INIZCTEOSA-N 0 3 370.497 2.384 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000424099657 559654764 /nfs/dbraw/zinc/65/47/64/559654764.db2.gz VPDDFYGNTAMABS-SJORKVTESA-N 0 3 357.458 2.210 20 30 FEEDHN CCC(CC)NC(=O)[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)c2ccccc2O1 ZINC000424117410 559655344 /nfs/dbraw/zinc/65/53/44/559655344.db2.gz YNZYLNNLMYZYSU-YJBOKZPZSA-N 0 3 372.469 2.107 20 30 FEEDHN COC(=O)[C@H](CNC(=O)[C@@H](N)CCCC#N)Cc1ccc2ccccc2c1 ZINC000424121939 559655561 /nfs/dbraw/zinc/65/55/61/559655561.db2.gz IQLRWRQEXUPHQR-OALUTQOASA-N 0 3 367.449 2.309 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000424141931 559655876 /nfs/dbraw/zinc/65/58/76/559655876.db2.gz UMLOQNUFLZIUPU-CYBMUJFWSA-N 0 3 359.455 2.093 20 30 FEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000424333482 559661514 /nfs/dbraw/zinc/66/15/14/559661514.db2.gz UIXAIXUFIXCDLY-HLLBOEOZSA-N 0 3 363.483 2.050 20 30 FEEDHN Cc1cc(CN)cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000424428032 559664241 /nfs/dbraw/zinc/66/42/41/559664241.db2.gz RKPKGJBSCRAPSI-UHFFFAOYSA-N 0 3 350.426 2.075 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000424495206 559667543 /nfs/dbraw/zinc/66/75/43/559667543.db2.gz PTBUSIPBTHYBSE-RTWAWAEBSA-N 0 3 371.525 2.422 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)nn1 ZINC000425470319 559704026 /nfs/dbraw/zinc/70/40/26/559704026.db2.gz FMOKRGADDOINJG-APWZRJJASA-N 0 3 368.485 2.174 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000425541327 559708809 /nfs/dbraw/zinc/70/88/09/559708809.db2.gz WPCFLWNXUCLTQZ-WMLDXEAASA-N 0 3 363.417 2.208 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)nn1 ZINC000425562394 559709935 /nfs/dbraw/zinc/70/99/35/559709935.db2.gz FZVOCEKJUXUTEV-GOSISDBHSA-N 0 3 354.458 2.100 20 30 FEEDHN C=CCn1cc(CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)nn1 ZINC000425676441 559714404 /nfs/dbraw/zinc/71/44/04/559714404.db2.gz SFOJXCGPBHHEOK-OAHLLOKOSA-N 0 3 356.474 2.393 20 30 FEEDHN CC[NH+](CC)C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428371291 559774039 /nfs/dbraw/zinc/77/40/39/559774039.db2.gz VOOWVJSBHLUPIZ-CABCVRRESA-N 0 3 350.488 2.132 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000429703164 559804209 /nfs/dbraw/zinc/80/42/09/559804209.db2.gz QGMSVOPGBYEQQS-UHFFFAOYSA-N 0 3 358.530 2.083 20 30 FEEDHN CN(CCN1CCN(C(=O)NCC2(CC#N)CC2)CC1)Cc1ccccc1 ZINC000431194724 559835664 /nfs/dbraw/zinc/83/56/64/559835664.db2.gz UUSXQGOOSSWJPE-UHFFFAOYSA-N 0 3 369.513 2.139 20 30 FEEDHN N#Cc1c(NCC(=O)NCCN2CCCCCC2)nc2cc(Cl)ccn21 ZINC000431488179 559840198 /nfs/dbraw/zinc/84/01/98/559840198.db2.gz CXDKICMHFHIXAB-UHFFFAOYSA-N 0 3 374.876 2.263 20 30 FEEDHN CCCCN(C)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432998557 559869663 /nfs/dbraw/zinc/86/96/63/559869663.db2.gz IWKVKDGHFSPODK-UHFFFAOYSA-N 0 3 374.304 2.331 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(C(=O)c2cccnc2)CC1 ZINC000433384950 559879511 /nfs/dbraw/zinc/87/95/11/559879511.db2.gz LLWYTGAZRKKDRI-SFHVURJKSA-N 0 3 362.433 2.139 20 30 FEEDHN CCN1CCN(CCCCNC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435034389 559914721 /nfs/dbraw/zinc/91/47/21/559914721.db2.gz MPUSLVYZPCQBFK-UHFFFAOYSA-N 0 3 354.498 2.124 20 30 FEEDHN CC[C@H](CNC(=O)N=c1ccn(CCC#N)[nH]1)N1CCc2ccccc2C1 ZINC000438334627 559977563 /nfs/dbraw/zinc/97/75/63/559977563.db2.gz YVGDDYKGWLKWTA-GOSISDBHSA-N 0 3 366.469 2.755 20 30 FEEDHN CO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1(C)C ZINC000440342481 560009004 /nfs/dbraw/zinc/00/90/04/560009004.db2.gz RLKVVFUWHMEFSZ-MSOLQXFVSA-N 0 3 358.486 2.445 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000441716528 560038173 /nfs/dbraw/zinc/03/81/73/560038173.db2.gz ODCLPTKALARGCF-SCLBCKFNSA-N 0 3 368.412 2.443 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000527458743 562288707 /nfs/dbraw/zinc/28/87/07/562288707.db2.gz NCGKLOYHVMLRCS-JKSUJKDBSA-N 0 3 365.355 2.402 20 30 FEEDHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000443392459 560082877 /nfs/dbraw/zinc/08/28/77/560082877.db2.gz XWPGUANLCWYEAM-MRXNPFEDSA-N 0 3 353.463 2.486 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000446662810 560149355 /nfs/dbraw/zinc/14/93/55/560149355.db2.gz XKCMQYDFDCOVNO-UHFFFAOYSA-N 0 3 352.394 2.206 20 30 FEEDHN Cn1c(C#N)ccc1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000448677214 560193677 /nfs/dbraw/zinc/19/36/77/560193677.db2.gz LJHNWVKOMHKDEI-HXUWFJFHSA-N 0 3 365.481 2.005 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)CC1 ZINC000449498391 560231894 /nfs/dbraw/zinc/23/18/94/560231894.db2.gz LGFMTCZRQHTHMT-KRWDZBQOSA-N 0 3 360.527 2.386 20 30 FEEDHN C[C@H](Oc1ccccn1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000449809572 560240830 /nfs/dbraw/zinc/24/08/30/560240830.db2.gz HMYCXAIBMZMQFA-INIZCTEOSA-N 0 3 352.438 2.311 20 30 FEEDHN CC(C)N(CCN(C)C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450198867 560253624 /nfs/dbraw/zinc/25/36/24/560253624.db2.gz TUAGBJNSSSACHG-UHFFFAOYSA-N 0 3 368.275 2.498 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000451176441 560291400 /nfs/dbraw/zinc/29/14/00/560291400.db2.gz DUAAKWLBEYOZGZ-GOSISDBHSA-N 0 3 352.438 2.216 20 30 FEEDHN C=CCn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453455662 560387141 /nfs/dbraw/zinc/38/71/41/560387141.db2.gz XQBSLVJNYYCZHC-CVEARBPZSA-N 0 3 351.495 2.107 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000453573330 560389209 /nfs/dbraw/zinc/38/92/09/560389209.db2.gz IKNZZVYGJJJDCV-IBGZPJMESA-N 0 3 364.449 2.094 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000453580588 560389584 /nfs/dbraw/zinc/38/95/84/560389584.db2.gz JVTSNWGZJZNLBL-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)N(C)C)c1 ZINC000453613395 560391119 /nfs/dbraw/zinc/39/11/19/560391119.db2.gz UOYVENDXZQTQGX-SFHVURJKSA-N 0 3 356.470 2.432 20 30 FEEDHN CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453622024 560391580 /nfs/dbraw/zinc/39/15/80/560391580.db2.gz APDQJUYBXPQJGT-LBPRGKRZSA-N 0 3 350.850 2.191 20 30 FEEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 ZINC000453640919 560392734 /nfs/dbraw/zinc/39/27/34/560392734.db2.gz HKGGWBIKWFZPQP-MRXNPFEDSA-N 0 3 372.469 2.130 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)c(Cl)c1 ZINC000453645602 560393029 /nfs/dbraw/zinc/39/30/29/560393029.db2.gz SVXJBWNETZRXCR-OAHLLOKOSA-N 0 3 374.872 2.431 20 30 FEEDHN C=C(C)CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000453878648 560410219 /nfs/dbraw/zinc/41/02/19/560410219.db2.gz OBODRRQGQKBDEO-UHFFFAOYSA-N 0 3 358.486 2.238 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000455416233 560481394 /nfs/dbraw/zinc/48/13/94/560481394.db2.gz QXSQMRNLTIPOND-QYZOEREBSA-N 0 3 359.470 2.475 20 30 FEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccnn1CCN(C)C ZINC000455642540 560490356 /nfs/dbraw/zinc/49/03/56/560490356.db2.gz BXVQKNAOXHPVPG-UHFFFAOYSA-N 0 3 361.446 2.140 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000456081416 560506357 /nfs/dbraw/zinc/50/63/57/560506357.db2.gz HILDNMPXYKQGIW-AWEZNQCLSA-N 0 3 353.344 2.340 20 30 FEEDHN Cc1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)ncc1C#N ZINC000457564409 560574971 /nfs/dbraw/zinc/57/49/71/560574971.db2.gz CFGIVUMICMRLDR-UHFFFAOYSA-N 0 3 364.449 2.148 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000457824716 560589538 /nfs/dbraw/zinc/58/95/38/560589538.db2.gz ZYNCAXAFPQDYQQ-RTBURBONSA-N 0 3 351.535 2.234 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CC1 ZINC000458331021 560615462 /nfs/dbraw/zinc/61/54/62/560615462.db2.gz HKJGYTPCNVKMCS-QUCCMNQESA-N 0 3 361.461 2.146 20 30 FEEDHN CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000460053996 560731972 /nfs/dbraw/zinc/73/19/72/560731972.db2.gz MXAUTOMCQABTHN-AOIWGVFYSA-N 0 3 370.497 2.288 20 30 FEEDHN COC(=O)C1CCN(CCCNC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000461903715 560787194 /nfs/dbraw/zinc/78/71/94/560787194.db2.gz QBZJRXXITRJXJG-HNNXBMFYSA-N 0 3 357.454 2.053 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C ZINC000467155406 560905195 /nfs/dbraw/zinc/90/51/95/560905195.db2.gz OIGPZRUKMXWBAX-WCQYABFASA-N 0 3 357.426 2.330 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000468013235 560921177 /nfs/dbraw/zinc/92/11/77/560921177.db2.gz DIVMJQVBDZAOMJ-NVXWUHKLSA-N 0 3 350.484 2.378 20 30 FEEDHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470944796 560994850 /nfs/dbraw/zinc/99/48/50/560994850.db2.gz LAWSKNGUAKFLCW-CEXWTWQISA-N 0 3 366.465 2.440 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)c2ccnc(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000476012406 561109280 /nfs/dbraw/zinc/10/92/80/561109280.db2.gz OUTAGDQPSAAVNZ-QFBILLFUSA-N 0 3 366.469 2.232 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(O)(c2ccccc2)CC1 ZINC000528449955 562330036 /nfs/dbraw/zinc/33/00/36/562330036.db2.gz JUBYQMJRRGCKCI-LJQANCHMSA-N 0 3 352.434 2.282 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000528522151 562333799 /nfs/dbraw/zinc/33/37/99/562333799.db2.gz SKENUGUFBQOYRL-XUVXKRRUSA-N 0 3 366.461 2.302 20 30 FEEDHN N#CC(C(=O)c1ccc(Cn2ccnn2)cc1)c1nnc2n1CCCCC2 ZINC000528931635 562353373 /nfs/dbraw/zinc/35/33/73/562353373.db2.gz YEETYFJAIFAQML-MRXNPFEDSA-N 0 3 361.409 2.134 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)nc1 ZINC000530241625 562403795 /nfs/dbraw/zinc/40/37/95/562403795.db2.gz GFCYCSVMKPFNFM-BMGDILEWSA-N 0 3 373.865 2.308 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000530532990 562414944 /nfs/dbraw/zinc/41/49/44/562414944.db2.gz TYWPTKBCQBSDLT-KRWDZBQOSA-N 0 3 373.453 2.498 20 30 FEEDHN C=CCN(C(=O)NC1CCN(C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000531244206 562439353 /nfs/dbraw/zinc/43/93/53/562439353.db2.gz GRCFIUNNOIZVMV-HNNXBMFYSA-N 0 3 369.473 2.015 20 30 FEEDHN CN1CCN(C(=O)c2ccc(CNCc3cc(C#N)cs3)cc2)CC1 ZINC000531356407 562443045 /nfs/dbraw/zinc/44/30/45/562443045.db2.gz JHQHRAWKNDIGQQ-UHFFFAOYSA-N 0 3 354.479 2.297 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628232 562452082 /nfs/dbraw/zinc/45/20/82/562452082.db2.gz JMSVQNQASNKMKD-UHFFFAOYSA-N 0 3 353.382 2.065 20 30 FEEDHN N#Cc1ccc(CNCCCN2C(=O)NC3(CCCCC3)C2=O)c(F)c1 ZINC000533449194 562509049 /nfs/dbraw/zinc/50/90/49/562509049.db2.gz BFERSTZDYCJEDF-UHFFFAOYSA-N 0 3 358.417 2.432 20 30 FEEDHN CC(C)C[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)C(=O)NCCN(C)C ZINC000533985028 562523009 /nfs/dbraw/zinc/52/30/09/562523009.db2.gz JQIQSZGUUXUMOC-QAPCUYQASA-N 0 3 373.501 2.011 20 30 FEEDHN CCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCC1 ZINC000537255810 562588825 /nfs/dbraw/zinc/58/88/25/562588825.db2.gz VYSIXRACKOXWRM-LJQANCHMSA-N 0 3 358.461 2.409 20 30 FEEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000540686559 562591307 /nfs/dbraw/zinc/59/13/07/562591307.db2.gz PVYVSXVXMOYYGC-AEFFLSMTSA-N 0 3 351.468 2.077 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCSC[C@H](C)C1)C(C)C ZINC000556206498 674392137 /nfs/dbraw/zinc/39/21/37/674392137.db2.gz LBWBMJUTSGGSOM-SJORKVTESA-N 0 3 367.559 2.013 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N3CCC[C@](C)(C#N)C3)ccc2[nH]c1=O ZINC000602135981 567934225 /nfs/dbraw/zinc/93/42/25/567934225.db2.gz OAEGELLXCCHKEC-LJQANCHMSA-N 0 3 355.442 2.069 20 30 FEEDHN COc1cccc(C2(NC(=O)[C@H](N)CCCCC#N)CCOCC2)c1F ZINC000602605135 567997056 /nfs/dbraw/zinc/99/70/56/567997056.db2.gz UWDLBYVLNPICGY-OAHLLOKOSA-N 0 3 363.433 2.367 20 30 FEEDHN CN1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000609471654 568010983 /nfs/dbraw/zinc/01/09/83/568010983.db2.gz OWSRQHIYZLJJOR-INIZCTEOSA-N 0 3 359.449 2.013 20 30 FEEDHN CCN1CC[C@H]2OCCN(Cc3ccc(C#N)cc3OC(F)F)[C@H]2C1 ZINC000569024013 568275096 /nfs/dbraw/zinc/27/50/96/568275096.db2.gz DFRLLOCGKORNJE-JKSUJKDBSA-N 0 3 351.397 2.455 20 30 FEEDHN C[C@@H]1C[C@@H](C)CN(CCCNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569421715 568401793 /nfs/dbraw/zinc/40/17/93/568401793.db2.gz XHNNLJKHJRLSNJ-IAGOWNOFSA-N 0 3 363.527 2.290 20 30 FEEDHN COC(=O)c1cccc(CN[C@H]2CCCC[C@H]2N2CCOCC2)c1C#N ZINC000569777932 568423937 /nfs/dbraw/zinc/42/39/37/568423937.db2.gz UTCJXOXTAPSYRG-RBUKOAKNSA-N 0 3 357.454 2.078 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000808212176 674447142 /nfs/dbraw/zinc/44/71/42/674447142.db2.gz ZOPIKWXOMZQHBU-UHFFFAOYSA-N 0 3 361.243 2.381 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000824585096 608463959 /nfs/dbraw/zinc/46/39/59/608463959.db2.gz NLQGMNFQMTXNMP-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1 ZINC000815082221 674913923 /nfs/dbraw/zinc/91/39/23/674913923.db2.gz GGEDXNRFDNZCKD-UHFFFAOYSA-N 0 3 365.886 2.430 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000815082868 674913933 /nfs/dbraw/zinc/91/39/33/674913933.db2.gz HYJAQBOMZVYINC-UHFFFAOYSA-N 0 3 373.316 2.299 20 30 FEEDHN C=C(Br)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@]13C[C@H]1COC3)C2 ZINC001048529591 675009069 /nfs/dbraw/zinc/00/90/69/675009069.db2.gz SOUKKDXFQFPZJP-JBXGNFEISA-N 0 3 369.303 2.291 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3cnc(C)s3)C[C@H]2C1 ZINC001049111444 675023399 /nfs/dbraw/zinc/02/33/99/675023399.db2.gz QKJXODXYAMGECZ-MVJTYMMSSA-N 0 3 361.511 2.323 20 30 FEEDHN N#CC(C(=O)CCc1nc(-c2ccsc2)no1)C(=O)NC1CCCC1 ZINC000051651842 670302165 /nfs/dbraw/zinc/30/21/65/670302165.db2.gz GNLNEWPAXFYOHE-ZDUSSCGKSA-N 0 3 358.423 2.498 20 30 FEEDHN N#CCN1CCC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000609339780 675919191 /nfs/dbraw/zinc/91/91/91/675919191.db2.gz REXHDNFEXWOYKD-MRXNPFEDSA-N 0 3 361.515 2.172 20 30 FEEDHN Cc1ccc(S(=O)(=O)NCCN[C@H]2CCc3ccc(C#N)cc32)s1 ZINC000578805637 671690729 /nfs/dbraw/zinc/69/07/29/671690729.db2.gz YFYAQKIFFQPGSY-INIZCTEOSA-N 0 3 361.492 2.484 20 30 FEEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCC1 ZINC000579291231 671725120 /nfs/dbraw/zinc/72/51/20/671725120.db2.gz GZACOXUSVPKQKH-GOSISDBHSA-N 0 3 361.511 2.464 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CCC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000610134189 675955919 /nfs/dbraw/zinc/95/59/19/675955919.db2.gz USHBPRLRIBMNGG-CVEARBPZSA-N 0 3 351.491 2.448 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000122220004 671964025 /nfs/dbraw/zinc/96/40/25/671964025.db2.gz TZDDEVRIOUACCK-CYBMUJFWSA-N 0 3 365.480 2.107 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000124200671 671992652 /nfs/dbraw/zinc/99/26/52/671992652.db2.gz MZPUODRXHFGGGA-WFASDCNBSA-N 0 3 352.818 2.359 20 30 FEEDHN CNC(=O)C(C#N)C(=O)CSc1nccn1-c1cccc(Cl)c1C ZINC000133446678 672110899 /nfs/dbraw/zinc/11/08/99/672110899.db2.gz LECQJZOFFGDVKI-NSHDSACASA-N 0 3 362.842 2.381 20 30 FEEDHN Cc1cn2c(n1)[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000583747793 672122891 /nfs/dbraw/zinc/12/28/91/672122891.db2.gz DSBYUHBKFWVWTD-INIZCTEOSA-N 0 3 358.467 2.004 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)Cc2csc(C)n2)cc1 ZINC000193749934 672735298 /nfs/dbraw/zinc/73/52/98/672735298.db2.gz SNGJQEFEEGHLTQ-MRXNPFEDSA-N 0 3 357.435 2.070 20 30 FEEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCS[C@@H]2COCC[C@H]21 ZINC000246915550 672844165 /nfs/dbraw/zinc/84/41/65/672844165.db2.gz MTVJVEMVRVQEKT-IAGOWNOFSA-N 0 3 355.467 2.289 20 30 FEEDHN O=C(NCCNCc1cccc(OC(F)(F)F)c1)C1N=CC=CC1=O ZINC000255613286 672894189 /nfs/dbraw/zinc/89/41/89/672894189.db2.gz JOYDEJAALRXDOS-CCEZHUSRSA-N 0 3 355.316 2.201 20 30 FEEDHN N#Cc1sccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000593565837 672945145 /nfs/dbraw/zinc/94/51/45/672945145.db2.gz AEGKELUHWHHBCO-GXTWGEPZSA-N 0 3 351.497 2.257 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCN2CCCS2(=O)=O)C1 ZINC000329103358 673072227 /nfs/dbraw/zinc/07/22/27/673072227.db2.gz DFKDXYAGXLCICU-NVXWUHKLSA-N 0 3 365.499 2.204 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000594444617 673073030 /nfs/dbraw/zinc/07/30/30/673073030.db2.gz AAVMLFUYRVEHJF-ZDUSSCGKSA-N 0 3 357.380 2.477 20 30 FEEDHN CCN1CCN(CCNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726466816 673124689 /nfs/dbraw/zinc/12/46/89/673124689.db2.gz XGBADCXXJQNRML-UHFFFAOYSA-N 0 3 351.907 2.136 20 30 FEEDHN C=CC[C@H]1CCCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000594821066 673152668 /nfs/dbraw/zinc/15/26/68/673152668.db2.gz GIAWVMZFIWEADJ-RYUDHWBXSA-N 0 3 357.394 2.488 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCCC3)C2)c(F)c1 ZINC000594854421 673164814 /nfs/dbraw/zinc/16/48/14/673164814.db2.gz JYJCEFPIFATNNX-CQSZACIVSA-N 0 3 351.447 2.383 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCCN1CCOC[C@@H]1C ZINC000729679333 673243560 /nfs/dbraw/zinc/24/35/60/673243560.db2.gz VEHWBXUUKFYHJN-AWEZNQCLSA-N 0 3 367.287 2.271 20 30 FEEDHN CCOCCOCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000729889555 673252101 /nfs/dbraw/zinc/25/21/01/673252101.db2.gz SBNOVLCJQVRDAY-GFCCVEGCSA-N 0 3 354.790 2.049 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@]2(C)C(=O)OCC)CC1 ZINC000595496042 673258065 /nfs/dbraw/zinc/25/80/65/673258065.db2.gz YENLPALDJSKJSC-LPHOPBHVSA-N 0 3 351.491 2.448 20 30 FEEDHN COC(=O)NCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000730919506 673295388 /nfs/dbraw/zinc/29/53/88/673295388.db2.gz DQUUVRQTCFAXGA-NSHDSACASA-N 0 3 367.789 2.132 20 30 FEEDHN CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@@H]1CC1(C)C ZINC000595910945 673337626 /nfs/dbraw/zinc/33/76/26/673337626.db2.gz UTJURRNTZBSBJD-HOTGVXAUSA-N 0 3 360.527 2.435 20 30 FEEDHN COC(=O)c1cnc([C@@H]2CCCN(C(=O)[C@H](N)CCCCC#N)C2)s1 ZINC000595998039 673346845 /nfs/dbraw/zinc/34/68/45/673346845.db2.gz WPZIULBVQSMXNI-CHWSQXEVSA-N 0 3 364.471 2.047 20 30 FEEDHN C[C@@H](c1ccccc1)[C@H](O)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000596067785 673355499 /nfs/dbraw/zinc/35/54/99/673355499.db2.gz AMINNPKVGYPXSM-HNAYVOBHSA-N 0 3 358.463 2.086 20 30 FEEDHN Cc1cc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)n(CCC#N)n1 ZINC000596892736 673423372 /nfs/dbraw/zinc/42/33/72/673423372.db2.gz DEHIQHUZJPHHSK-NEPJUHHUSA-N 0 3 360.336 2.028 20 30 FEEDHN COc1cc(NC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c(F)cc1C#N ZINC000599813948 673719998 /nfs/dbraw/zinc/71/99/98/673719998.db2.gz BOQIGJMZEQXKDJ-HIFRSBDPSA-N 0 3 352.435 2.215 20 30 FEEDHN CN(C)C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000600754798 673796541 /nfs/dbraw/zinc/79/65/41/673796541.db2.gz IICPGSFISZOFAK-YOEHRIQHSA-N 0 3 373.328 2.392 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600758928 673796942 /nfs/dbraw/zinc/79/69/42/673796942.db2.gz DGVPTZLEQZZIGV-JKSUJKDBSA-N 0 3 360.285 2.213 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC000818584723 675226142 /nfs/dbraw/zinc/22/61/42/675226142.db2.gz VSBWVKAWXXNJMH-UHFFFAOYSA-N 0 3 360.458 2.418 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(C)c(I)c1 ZINC000818593025 675226815 /nfs/dbraw/zinc/22/68/15/675226815.db2.gz IDCMTDVAQHMCCF-UHFFFAOYSA-N 0 3 370.234 2.285 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC000818602918 675227918 /nfs/dbraw/zinc/22/79/18/675227918.db2.gz JMSRAYYDAVVHBZ-HZPDHXFCSA-N 0 3 351.491 2.093 20 30 FEEDHN CC[C@@H](CS(=O)(=O)c1ccccc1)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819187700 675267863 /nfs/dbraw/zinc/26/78/63/675267863.db2.gz QFCGSWDQWXEUEE-PKOBYXMFSA-N 0 3 358.463 2.434 20 30 FEEDHN OCCN1CCC(=NNC(=S)Nc2cccc(Br)c2)CC1 ZINC000819803202 675315865 /nfs/dbraw/zinc/31/58/65/675315865.db2.gz KGMFKBHNJNJWHH-UHFFFAOYSA-N 0 3 371.304 2.180 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000616419007 676249557 /nfs/dbraw/zinc/24/95/57/676249557.db2.gz HASOOBYQOBUHTL-BBRMVZONSA-N 0 3 353.463 2.332 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2c(Br)c(C)nn2C)CC1 ZINC000640163460 677174237 /nfs/dbraw/zinc/17/42/37/677174237.db2.gz KUNSKJJWLGPOND-UHFFFAOYSA-N 0 3 356.268 2.263 20 30 FEEDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000673149986 679413240 /nfs/dbraw/zinc/41/32/40/679413240.db2.gz YMSIUDOKGFJMJE-AWEZNQCLSA-N 0 3 355.463 2.153 20 30 FEEDHN C#CCNC(=O)C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000747823139 679905254 /nfs/dbraw/zinc/90/52/54/679905254.db2.gz LYUHHZULOFSWGG-UHFFFAOYSA-N 0 3 365.271 2.289 20 30 FEEDHN CCCCCCNC(=O)[C@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000748318231 679951854 /nfs/dbraw/zinc/95/18/54/679951854.db2.gz NYYJISWWJJAECW-SJORKVTESA-N 0 3 350.507 2.155 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC000975224325 680022960 /nfs/dbraw/zinc/02/29/60/680022960.db2.gz OKLNOBJGSQHVAN-NUEKZKHPSA-N 0 3 367.921 2.166 20 30 FEEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(C)s1 ZINC000752476251 680244851 /nfs/dbraw/zinc/24/48/51/680244851.db2.gz NKMINDWLLZFFIK-GFCCVEGCSA-N 0 3 357.391 2.492 20 30 FEEDHN Cc1nc(Cl)ccc1CC(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000835058188 680292199 /nfs/dbraw/zinc/29/21/99/680292199.db2.gz ZQVNURCOPBFPHN-AWEZNQCLSA-N 0 3 351.834 2.226 20 30 FEEDHN C=C(Br)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1(C)C ZINC000995920576 680312119 /nfs/dbraw/zinc/31/21/19/680312119.db2.gz CKGUNXBTUIEROY-YRGRVCCFSA-N 0 3 367.291 2.248 20 30 FEEDHN C=C(Br)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1(C)C ZINC000995920576 680312123 /nfs/dbraw/zinc/31/21/23/680312123.db2.gz CKGUNXBTUIEROY-YRGRVCCFSA-N 0 3 367.291 2.248 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000836188415 680433589 /nfs/dbraw/zinc/43/35/89/680433589.db2.gz BKXVFHNZCDUTJC-UHFFFAOYSA-N 0 3 365.861 2.256 20 30 FEEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC001039159501 680462338 /nfs/dbraw/zinc/46/23/38/680462338.db2.gz PNZQUQWUJNGWLU-ZACQAIPSSA-N 0 3 367.921 2.024 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000836488106 680475851 /nfs/dbraw/zinc/47/58/51/680475851.db2.gz LPVZCUZFUIEVEV-QGZVFWFLSA-N 0 3 351.397 2.003 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C#C)c1ccc(Br)cc1 ZINC000836491459 680476865 /nfs/dbraw/zinc/47/68/65/680476865.db2.gz SBROPDUBJPHPHV-MRXNPFEDSA-N 0 3 362.271 2.378 20 30 FEEDHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043585213 680589529 /nfs/dbraw/zinc/58/95/29/680589529.db2.gz QDCSIYICQKPZER-MLGOLLRUSA-N 0 3 361.877 2.350 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1CNCc1cc(OC)ns1 ZINC001045237931 680625823 /nfs/dbraw/zinc/62/58/23/680625823.db2.gz AERDVDUSUBMGSS-QRTARXTBSA-N 0 3 365.499 2.214 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2CCc1ccns1 ZINC001049732658 681037979 /nfs/dbraw/zinc/03/79/79/681037979.db2.gz PJSIOHCRDCGQQS-XDNAFOTISA-N 0 3 361.511 2.342 20 30 FEEDHN CN(CCC(=O)Nc1sccc1C#N)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365546 681054216 /nfs/dbraw/zinc/05/42/16/681054216.db2.gz CEARTBXMWZRGOD-MRXNPFEDSA-N 0 3 354.435 2.485 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2ccsc2)C1 ZINC001051861198 681070295 /nfs/dbraw/zinc/07/02/95/681070295.db2.gz BEELVFYEQHGDMS-BZSNNMDCSA-N 0 3 364.511 2.436 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3ccns3)C[C@H]2CC1 ZINC000946787988 681261299 /nfs/dbraw/zinc/26/12/99/681261299.db2.gz IHAOIQLQQSUBGW-ATLSCFEFSA-N 0 3 361.511 2.405 20 30 FEEDHN CCC1(CC)CNC(=O)[C@@H]1NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000933288454 681388395 /nfs/dbraw/zinc/38/83/95/681388395.db2.gz WESQXXCJNXUFDG-INIZCTEOSA-N 0 3 362.861 2.435 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000848395310 681535337 /nfs/dbraw/zinc/53/53/37/681535337.db2.gz BIHVMFKVQYHPBA-LBPRGKRZSA-N 0 3 356.348 2.328 20 30 FEEDHN CN(C)S(=O)(=O)c1ccccc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848410061 681536656 /nfs/dbraw/zinc/53/66/56/681536656.db2.gz IFHMFTBRUASDQG-INIZCTEOSA-N 0 3 350.488 2.353 20 30 FEEDHN C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000779355098 681708242 /nfs/dbraw/zinc/70/82/42/681708242.db2.gz ZGPWYSZSBNOFDR-HOCLYGCPSA-N 0 3 351.447 2.347 20 30 FEEDHN N#CC(C(=O)CC1(C#N)CCOCC1)C(=O)NCc1cccc(Cl)c1 ZINC000850976873 681992236 /nfs/dbraw/zinc/99/22/36/681992236.db2.gz JIZYHYGJODGTAS-HNNXBMFYSA-N 0 3 359.813 2.376 20 30 FEEDHN COCCn1cc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)c(C)n1 ZINC000782580885 682060098 /nfs/dbraw/zinc/06/00/98/682060098.db2.gz CDXCSXYRBUKMAG-GFCCVEGCSA-N 0 3 360.801 2.453 20 30 FEEDHN CCOC(=O)c1nnc(SCC(=O)C(C#N)c2nc(C)cs2)s1 ZINC000783424355 682143349 /nfs/dbraw/zinc/14/33/49/682143349.db2.gz WQTBHVGIJLZKBD-QMMMGPOBSA-N 0 3 368.465 2.448 20 30 FEEDHN C#CCOCCN[C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000852045687 682209311 /nfs/dbraw/zinc/20/93/11/682209311.db2.gz YNRMNEZJZKRYHL-MRXNPFEDSA-N 0 3 354.244 2.467 20 30 FEEDHN N#CC(C(=O)CCn1cc(Br)cn1)C(=O)NC1CCCCC1 ZINC000917424235 685532049 /nfs/dbraw/zinc/53/20/49/685532049.db2.gz HJMURIKIBARGEA-CYBMUJFWSA-N 0 3 367.247 2.193 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788256956 682515133 /nfs/dbraw/zinc/51/51/33/682515133.db2.gz LBYPAAYLOTYMEH-CABCVRRESA-N 0 3 360.520 2.403 20 30 FEEDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000790013953 682646525 /nfs/dbraw/zinc/64/65/25/682646525.db2.gz KFKZBGLTOSAUKO-UHFFFAOYSA-N 0 3 361.379 2.296 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000922630024 683758178 /nfs/dbraw/zinc/75/81/78/683758178.db2.gz NJZINLQSOANKNT-OAHLLOKOSA-N 0 3 360.527 2.476 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000876613632 686228725 /nfs/dbraw/zinc/22/87/25/686228725.db2.gz GGGHKJOTKPRTOQ-IOASZLSFSA-N 0 3 365.861 2.344 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000876639355 686234757 /nfs/dbraw/zinc/23/47/57/686234757.db2.gz OKLXKTNFIDMOQX-HNNXBMFYSA-N 0 3 351.834 2.190 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000876757297 686261518 /nfs/dbraw/zinc/26/15/18/686261518.db2.gz BSJGRMDVEUBXLE-VXGBXAGGSA-N 0 3 359.804 2.453 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000876873669 686285330 /nfs/dbraw/zinc/28/53/30/686285330.db2.gz NOMYLEFOPRELQT-UONOGXRCSA-N 0 3 351.882 2.180 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000876893617 686289313 /nfs/dbraw/zinc/28/93/13/686289313.db2.gz GQIOSKSKDIFUAE-STQMWFEESA-N 0 3 360.216 2.171 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000876902454 686291544 /nfs/dbraw/zinc/29/15/44/686291544.db2.gz CQKMBFUQLOTBBY-CABCVRRESA-N 0 3 353.894 2.098 20 30 FEEDHN NC(=O)C1(N2CCCCC2)CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000880253246 687022823 /nfs/dbraw/zinc/02/28/23/687022823.db2.gz XEZRQDSXCKYSDP-UHFFFAOYSA-N 0 3 359.901 2.497 20 30 FEEDHN CCCCCCCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883420434 687627409 /nfs/dbraw/zinc/62/74/09/687627409.db2.gz LACYBTCQIAHXSK-UHFFFAOYSA-N 0 3 352.523 2.472 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCNCCC23CCC3)cc1C(F)(F)F ZINC000883478552 687643338 /nfs/dbraw/zinc/64/33/38/687643338.db2.gz NPDMELCIAYVBLO-UHFFFAOYSA-N 0 3 373.400 2.484 20 30 FEEDHN C=CCCC[C@@H](C)NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883554820 687666418 /nfs/dbraw/zinc/66/64/18/687666418.db2.gz GLHKQYNDNUWUSG-MRXNPFEDSA-N 0 3 350.507 2.247 20 30 FEEDHN C=C(C)C[C@@H](CO)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000883662852 687695938 /nfs/dbraw/zinc/69/59/38/687695938.db2.gz WMUPJVVBDDXRIH-SLTAFYQDSA-N 0 3 363.424 2.418 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCc1ccc(Br)s1)C2 ZINC000884064463 687782529 /nfs/dbraw/zinc/78/25/29/687782529.db2.gz IYCBFPAIJIAFHX-LOIXOFCESA-N 0 3 368.300 2.309 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccc(Br)s1)C2 ZINC000884088378 687786099 /nfs/dbraw/zinc/78/60/99/687786099.db2.gz ICYKDACTRVPNCG-OPASDULOSA-N 0 3 354.273 2.266 20 30 FEEDHN COCCN1CCC(NC(=O)NCc2ccc(SC)c(C#N)c2)CC1 ZINC000884201745 687816225 /nfs/dbraw/zinc/81/62/25/687816225.db2.gz GNYLVWVMPGFMQW-UHFFFAOYSA-N 0 3 362.499 2.190 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCC[C@H]1CSc3ccccc3O1)C2 ZINC000884373855 687857626 /nfs/dbraw/zinc/85/76/26/687857626.db2.gz YBSWMLOWFYXDBN-QXGUJMOYSA-N 0 3 357.479 2.185 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885476194 688081684 /nfs/dbraw/zinc/08/16/84/688081684.db2.gz AKOZAWDKDQIWDK-GJZGRUSLSA-N 0 3 350.459 2.156 20 30 FEEDHN C#CCN(C(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000886576125 688278771 /nfs/dbraw/zinc/27/87/71/688278771.db2.gz XXEJKDVQQCKNER-INIZCTEOSA-N 0 3 354.372 2.295 20 30 FEEDHN C#C[C@@H](NC1CCN(CC(=O)OC)CC1)c1ccc(Br)cc1 ZINC000894872188 689612215 /nfs/dbraw/zinc/61/22/15/689612215.db2.gz ZJXAKYYZRHYEJM-MRXNPFEDSA-N 0 3 365.271 2.350 20 30 FEEDHN N#Cc1csc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)n1 ZINC000897302804 690002617 /nfs/dbraw/zinc/00/26/17/690002617.db2.gz XMZIIDBFLQULPB-UHFFFAOYSA-N 0 3 355.467 2.432 20 30 FEEDHN C=C(Cl)C[C@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184384 690481140 /nfs/dbraw/zinc/48/11/40/690481140.db2.gz BIMSEXDAZSLIST-HZPDHXFCSA-N 0 3 364.877 2.418 20 30 FEEDHN CC(C(=O)N(O)CCCCc1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000904196978 691012011 /nfs/dbraw/zinc/01/20/11/691012011.db2.gz MMVRGWBQYGONKY-HNNXBMFYSA-N 0 3 369.483 2.209 20 30 FEEDHN CC(C)CN1CCN(c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)CC1 ZINC001164657191 719339168 /nfs/dbraw/zinc/33/91/68/719339168.db2.gz AYZHVNVFJDGXLR-HNNXBMFYSA-N 0 3 359.474 2.203 20 30 FEEDHN N#Cc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc12 ZINC001164746444 720760847 /nfs/dbraw/zinc/76/08/47/720760847.db2.gz YECNTQCOEOQBAD-SJORKVTESA-N 0 3 372.432 2.238 20 30 FEEDHN N#Cc1cnc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870888 721052830 /nfs/dbraw/zinc/05/28/30/721052830.db2.gz WZQQWQAZUBVRGX-SJORKVTESA-N 0 3 369.856 2.481 20 30 FEEDHN N#Cc1cc(Cl)cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865716 721076960 /nfs/dbraw/zinc/07/69/60/721076960.db2.gz OUXJGDNWONJHOG-ROUUACIJSA-N 0 3 369.856 2.481 20 30 FEEDHN COc1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164902678 721527075 /nfs/dbraw/zinc/52/70/75/721527075.db2.gz AYTRJPIUEHYCPQ-RDJZCZTQSA-N 0 3 368.412 2.443 20 30 FEEDHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1C#N ZINC001164981559 722111104 /nfs/dbraw/zinc/11/11/04/722111104.db2.gz UNSHLMWLUDIQAT-AZUAARDMSA-N 0 3 363.465 2.384 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2ccsc2)cc1OC ZINC000800387920 674047745 /nfs/dbraw/zinc/04/77/45/674047745.db2.gz WZORIXKBCYCXKZ-ZDUSSCGKSA-N 0 3 360.391 2.492 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(N)=O)cc1 ZINC000042715233 540074669 /nfs/dbraw/zinc/07/46/69/540074669.db2.gz JIGFQJQRBCXEOA-UHFFFAOYSA-N 0 3 365.437 2.253 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(N)=O)c1 ZINC000042715231 540074761 /nfs/dbraw/zinc/07/47/61/540074761.db2.gz DBXZJIJLAXALOS-UHFFFAOYSA-N 0 3 365.437 2.253 20 30 FEEDHN COc1cc(/C=C/C(=O)N2CCN(CC(C)C)CC2)ccc1OCC#N ZINC000043008283 540086040 /nfs/dbraw/zinc/08/60/40/540086040.db2.gz UCSFAACWKYVWHH-FNORWQNLSA-N 0 3 357.454 2.411 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000550417200 674094230 /nfs/dbraw/zinc/09/42/30/674094230.db2.gz BVKSDLFBKYSMIV-UHFFFAOYSA-N 0 3 370.280 2.376 20 30 FEEDHN C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCCC[C@H]1C ZINC000050112094 540400263 /nfs/dbraw/zinc/40/02/63/540400263.db2.gz GXZNYTIURGSWGM-SJORKVTESA-N 0 3 370.501 2.048 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000052594181 540476361 /nfs/dbraw/zinc/47/63/61/540476361.db2.gz SIJFJMDEPBAFIE-GOSISDBHSA-N 0 3 355.486 2.264 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000054851221 540614889 /nfs/dbraw/zinc/61/48/89/540614889.db2.gz GTWDOGQXHHZFMH-OAHLLOKOSA-N 0 3 372.469 2.132 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1CCC(C(=O)NC)CC1)C(C)C ZINC000063406589 541166749 /nfs/dbraw/zinc/16/67/49/541166749.db2.gz DEEZYHCERVBGAD-DAWZGUTISA-N 0 3 364.534 2.289 20 30 FEEDHN C=C(C)CN(CC)C(=O)CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000066534193 541333684 /nfs/dbraw/zinc/33/36/84/541333684.db2.gz DJMWPRUOLBVEJW-UHFFFAOYSA-N 0 3 372.557 2.161 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066619804 541348259 /nfs/dbraw/zinc/34/82/59/541348259.db2.gz WAGJQHGRNDWREN-GOSISDBHSA-N 0 3 356.470 2.314 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000067345062 541447087 /nfs/dbraw/zinc/44/70/87/541447087.db2.gz UNLCNXZCOITINF-LSDHHAIUSA-N 0 3 372.469 2.275 20 30 FEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000067391067 541454126 /nfs/dbraw/zinc/45/41/26/541454126.db2.gz TUJMCRBLZSOKIM-SFHVURJKSA-N 0 3 372.517 2.198 20 30 FEEDHN C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000069354570 541680535 /nfs/dbraw/zinc/68/05/35/541680535.db2.gz CMIOLGWCTRMLGU-XLIONFOSSA-N 0 3 373.497 2.423 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069412445 541685144 /nfs/dbraw/zinc/68/51/44/541685144.db2.gz UCQSTGSSFSKEQO-IAGOWNOFSA-N 0 3 373.476 2.450 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000069988383 541729716 /nfs/dbraw/zinc/72/97/16/541729716.db2.gz KKIVMCDEPCUJFW-UHFFFAOYSA-N 0 3 372.469 2.227 20 30 FEEDHN CC1CCN(CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000071007950 541757261 /nfs/dbraw/zinc/75/72/61/541757261.db2.gz SMVATGWVJFJBSQ-UHFFFAOYSA-N 0 3 372.469 2.156 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C(=O)NCCC)CC1 ZINC000073800534 542001136 /nfs/dbraw/zinc/00/11/36/542001136.db2.gz BHCSIRJUVKQUOX-IBGZPJMESA-N 0 3 360.498 2.393 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)ccc1F ZINC000076639449 542303199 /nfs/dbraw/zinc/30/31/99/542303199.db2.gz SJDILEJNCAKXFP-INIZCTEOSA-N 0 3 358.417 2.017 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077541617 542395131 /nfs/dbraw/zinc/39/51/31/542395131.db2.gz PZAPNWIROFZHKB-ZDUSSCGKSA-N 0 3 360.433 2.263 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCCN(c2ncccc2C#N)CC1 ZINC000064633143 221148498 /nfs/dbraw/zinc/14/84/98/221148498.db2.gz NDVAKZSHVLOFNV-UHFFFAOYSA-N 0 3 374.448 2.366 20 30 FEEDHN CCN1CC[C@@H](NCC(=O)NCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801958068 674157036 /nfs/dbraw/zinc/15/70/36/674157036.db2.gz WHKZKHLNJNCJLN-WBVHZDCISA-N 0 3 352.841 2.234 20 30 FEEDHN NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)C#Cc3ccccc3)cc2)C1 ZINC000080612434 542598128 /nfs/dbraw/zinc/59/81/28/542598128.db2.gz CYTXXUCLENMEAZ-IBGZPJMESA-N 0 3 361.445 2.374 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CNc1ccccc1CN1CCC(CO)CC1 ZINC000088532745 542753024 /nfs/dbraw/zinc/75/30/24/542753024.db2.gz PAOQQBCBGITLMH-QGZVFWFLSA-N 0 3 372.513 2.311 20 30 FEEDHN CCSCC[C@H](C)N(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091623539 542816839 /nfs/dbraw/zinc/81/68/39/542816839.db2.gz MYCPPHBSHOYCAQ-IRXDYDNUSA-N 0 3 354.564 2.142 20 30 FEEDHN CCN(CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1CC1 ZINC000092222422 542849478 /nfs/dbraw/zinc/84/94/78/542849478.db2.gz SMNNWZYKLWAOCA-UHFFFAOYSA-N 0 3 371.485 2.427 20 30 FEEDHN COc1cc(/C=C/C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1OCC#N ZINC000247423270 549332900 /nfs/dbraw/zinc/33/29/00/549332900.db2.gz OCYIDDPWPNRGEI-UTDDRVLSSA-N 0 3 357.454 2.409 20 30 FEEDHN C#CCOc1ccc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000093142751 542913031 /nfs/dbraw/zinc/91/30/31/542913031.db2.gz SYVIQBWVGSJUGT-UHFFFAOYSA-N 0 3 369.509 2.075 20 30 FEEDHN C#CCOc1ccccc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000093142820 542913303 /nfs/dbraw/zinc/91/33/03/542913303.db2.gz NHYOGRVOKJRSGM-UHFFFAOYSA-N 0 3 369.509 2.075 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCN2CCC(=O)Nc2ccccc2C#N)C[C@@H](C)O1 ZINC000103470118 543109279 /nfs/dbraw/zinc/10/92/79/543109279.db2.gz GGKMXPJMHGUNHI-LMMKCTJWSA-N 0 3 370.497 2.460 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CNC(=O)CCc2ccc(C)cc2)CC1 ZINC000106035203 543186321 /nfs/dbraw/zinc/18/63/21/543186321.db2.gz PYOQPWJHMARHNP-UHFFFAOYSA-N 0 3 357.498 2.201 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(Cc3ccccn3)CC2)CC1 ZINC000106261145 543220988 /nfs/dbraw/zinc/22/09/88/543220988.db2.gz QYPYCJZRCMWWOG-UHFFFAOYSA-N 0 3 371.529 2.386 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)NC)ccc2OC)CC1 ZINC000106320940 543222740 /nfs/dbraw/zinc/22/27/40/543222740.db2.gz VWDLRVVCXMPMOZ-UHFFFAOYSA-N 0 3 360.458 2.217 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC000106340892 543224777 /nfs/dbraw/zinc/22/47/77/543224777.db2.gz BRYUSVWTHFUBSI-KRWDZBQOSA-N 0 3 364.534 2.221 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000108879479 543307344 /nfs/dbraw/zinc/30/73/44/543307344.db2.gz KVNWMXPIMNEGKG-PKOBYXMFSA-N 0 3 356.470 2.159 20 30 FEEDHN C=CCNC(=O)NC(=O)CNC(C)(C)Cc1ccc(Br)cc1 ZINC000109818602 543340592 /nfs/dbraw/zinc/34/05/92/543340592.db2.gz KLWGGUTUPPTBLN-UHFFFAOYSA-N 0 3 368.275 2.372 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(OCCCC(=O)OC)cc2)CC1 ZINC000112254871 543436115 /nfs/dbraw/zinc/43/61/15/543436115.db2.gz PVSUMLGHNZNDPK-UHFFFAOYSA-N 0 3 358.438 2.302 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](C(C)C)CC3)CC2)o1 ZINC000114729057 543533812 /nfs/dbraw/zinc/53/38/12/543533812.db2.gz WYVXMJZYRKPYIW-KRWDZBQOSA-N 0 3 373.501 2.261 20 30 FEEDHN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000117076623 543623194 /nfs/dbraw/zinc/62/31/94/543623194.db2.gz YWPSVIBESVWHMA-OAHLLOKOSA-N 0 3 361.511 2.297 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000118019735 543643142 /nfs/dbraw/zinc/64/31/42/543643142.db2.gz SLURNSAZLCOIAG-ZDUSSCGKSA-N 0 3 368.384 2.392 20 30 FEEDHN CCN(CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000118121068 543646354 /nfs/dbraw/zinc/64/63/54/543646354.db2.gz MENVICXKLORXBN-AWEZNQCLSA-N 0 3 374.510 2.477 20 30 FEEDHN Cc1ccc([C@H](CNCc2cnc3ccc(C#N)cn23)N2CCOCC2)o1 ZINC000123203082 543748297 /nfs/dbraw/zinc/74/82/97/543748297.db2.gz DEEOVNJPWNBTEJ-SFHVURJKSA-N 0 3 365.437 2.271 20 30 FEEDHN N#Cc1ccc2ncc(CNCCCS(=O)(=O)c3ccccc3)n2c1 ZINC000123474839 543763653 /nfs/dbraw/zinc/76/36/53/543763653.db2.gz RFMYECHEZQOPGY-UHFFFAOYSA-N 0 3 354.435 2.160 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1n[nH]c2c1CCCC2 ZINC000125797934 543902191 /nfs/dbraw/zinc/90/21/91/543902191.db2.gz VSYDDULCOKREAM-UHFFFAOYSA-N 0 3 351.454 2.364 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000132261832 544224656 /nfs/dbraw/zinc/22/46/56/544224656.db2.gz OIABUYZZYPYFAX-WMZOPIPTSA-N 0 3 355.486 2.119 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC000152598362 544672508 /nfs/dbraw/zinc/67/25/08/544672508.db2.gz IJEJMCBDZUCDLL-UHFFFAOYSA-N 0 3 354.454 2.371 20 30 FEEDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000153365804 544766873 /nfs/dbraw/zinc/76/68/73/544766873.db2.gz PDAHKDLPOZLWHN-OAQYLSRUSA-N 0 3 367.449 2.180 20 30 FEEDHN CCCN(C)[C@@H](CNC(=O)Cn1cnc(C#N)n1)c1ccc(Cl)cc1 ZINC000553027405 674234222 /nfs/dbraw/zinc/23/42/22/674234222.db2.gz YPNZOGXMPFDLPG-HNNXBMFYSA-N 0 3 360.849 2.002 20 30 FEEDHN C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCC(C)CC1 ZINC000184588969 327874311 /nfs/dbraw/zinc/87/43/11/327874311.db2.gz BDFFCVLXILBYEY-HNNXBMFYSA-N 0 3 367.457 2.381 20 30 FEEDHN Cn1cc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000190868131 328237014 /nfs/dbraw/zinc/23/70/14/328237014.db2.gz RYFKXAJSOWJMHU-OAHLLOKOSA-N 0 3 353.344 2.445 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCCC[C@@H]3C)CC2)o1 ZINC000192846630 328343111 /nfs/dbraw/zinc/34/31/11/328343111.db2.gz FGGVTZAXEBVCQR-WMLDXEAASA-N 0 3 359.474 2.014 20 30 FEEDHN CCN1CCC[C@H]1CN(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193423648 328374605 /nfs/dbraw/zinc/37/46/05/328374605.db2.gz TXMUTBDQQIJGHO-INIZCTEOSA-N 0 3 359.474 2.014 20 30 FEEDHN CN(C(=O)c1cc(C#N)cn1C)C1CCN(CCc2ccccn2)CC1 ZINC000081728375 325194387 /nfs/dbraw/zinc/19/43/87/325194387.db2.gz WYCFQJRCHXSUCX-UHFFFAOYSA-N 0 3 351.454 2.071 20 30 FEEDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000084347748 325234593 /nfs/dbraw/zinc/23/45/93/325234593.db2.gz JKZNJDVRPVMYDV-UHFFFAOYSA-N 0 3 356.451 2.149 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)N(C)C ZINC000114377809 325885771 /nfs/dbraw/zinc/88/57/71/325885771.db2.gz LEJWZTIAGINQRF-KRWDZBQOSA-N 0 3 354.458 2.032 20 30 FEEDHN CC[C@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000117343006 326058429 /nfs/dbraw/zinc/05/84/29/326058429.db2.gz WYCUCWQWEKDORM-INIZCTEOSA-N 0 3 359.474 2.015 20 30 FEEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCCN(C)C ZINC000118094549 326080743 /nfs/dbraw/zinc/08/07/43/326080743.db2.gz ZZQJOICQZAHXGU-UHFFFAOYSA-N 0 3 366.421 2.275 20 30 FEEDHN CC(C)N1CCCC[C@@H]1C(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000118780470 326101897 /nfs/dbraw/zinc/10/18/97/326101897.db2.gz VOYZCWDJIVYLBI-GOSISDBHSA-N 0 3 355.486 2.255 20 30 FEEDHN N#Cc1cccc(NCC(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1 ZINC000119786724 326198372 /nfs/dbraw/zinc/19/83/72/326198372.db2.gz BBTSNZUOYQBBBP-IBGZPJMESA-N 0 3 356.470 2.074 20 30 FEEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000120433421 326258142 /nfs/dbraw/zinc/25/81/42/326258142.db2.gz FXGVJBMCMKLDFV-CYBMUJFWSA-N 0 3 353.875 2.318 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N1CCC[C@@H](C)C1 ZINC000120735169 326283644 /nfs/dbraw/zinc/28/36/44/326283644.db2.gz CRNOYSXDZMFKNC-KGLIPLIRSA-N 0 3 353.463 2.237 20 30 FEEDHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000120748617 326284444 /nfs/dbraw/zinc/28/44/44/326284444.db2.gz FUCOWQPIIGKWPQ-GJZGRUSLSA-N 0 3 367.490 2.485 20 30 FEEDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120953895 326301872 /nfs/dbraw/zinc/30/18/72/326301872.db2.gz OQYROSXEBAVLTO-HZPDHXFCSA-N 0 3 351.447 2.086 20 30 FEEDHN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)Cc1ccccc1 ZINC000170660647 327091912 /nfs/dbraw/zinc/09/19/12/327091912.db2.gz OFONFDPGCOGWBV-GOSISDBHSA-N 0 3 372.494 2.185 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NCCCN(C)Cc2ccccc2)c1C#N ZINC000174599151 327337422 /nfs/dbraw/zinc/33/74/22/327337422.db2.gz BBAQHSOCXYQJML-UHFFFAOYSA-N 0 3 364.449 2.444 20 30 FEEDHN COC(=O)[C@H](C)[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000252652826 328794848 /nfs/dbraw/zinc/79/48/48/328794848.db2.gz XQAQYLZROCISLW-ZTNFWEORSA-N 0 3 368.433 2.438 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000268161135 329391855 /nfs/dbraw/zinc/39/18/55/329391855.db2.gz OMJUKSYCYSTRSF-APWZRJJASA-N 0 3 367.497 2.263 20 30 FEEDHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000271600585 329706873 /nfs/dbraw/zinc/70/68/73/329706873.db2.gz ZHCNSVAUGKJTQP-CYBMUJFWSA-N 0 3 356.348 2.371 20 30 FEEDHN C[C@H]1C[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000271604383 329706956 /nfs/dbraw/zinc/70/69/56/329706956.db2.gz UYKLMCVMJKFATH-LPHOPBHVSA-N 0 3 358.486 2.447 20 30 FEEDHN CC(C)(C)C(=O)N1CCC(CN2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000274740137 329975743 /nfs/dbraw/zinc/97/57/43/329975743.db2.gz DYXQSTFHXZUADM-UHFFFAOYSA-N 0 3 369.513 2.360 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000275948800 330105865 /nfs/dbraw/zinc/10/58/65/330105865.db2.gz YODCJAXZNXABJD-GFCCVEGCSA-N 0 3 362.861 2.339 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367184298 330227366 /nfs/dbraw/zinc/22/73/66/330227366.db2.gz JLYGPHPQDDSXIB-VQIMIIECSA-N 0 3 355.486 2.356 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000554164255 674306370 /nfs/dbraw/zinc/30/63/70/674306370.db2.gz WWTZDDVNFQCIMG-UHFFFAOYSA-N 0 3 365.543 2.055 20 30 FEEDHN CN(C)[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 ZINC000555392245 674358915 /nfs/dbraw/zinc/35/89/15/674358915.db2.gz GWFBFMOAROJDFQ-INIZCTEOSA-N 0 3 363.508 2.286 20 30 FEEDHN CC(C)N1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000156167493 545604430 /nfs/dbraw/zinc/60/44/30/545604430.db2.gz GGCWVELNBWGCGS-GOSISDBHSA-N 0 3 355.486 2.301 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C1 ZINC000477517376 561146881 /nfs/dbraw/zinc/14/68/81/561146881.db2.gz XFJNBCBVSFAEPV-FOIQADDNSA-N 0 3 372.428 2.288 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000477916235 561156396 /nfs/dbraw/zinc/15/63/96/561156396.db2.gz ZSJDZKALRHOFPV-UHFFFAOYSA-N 0 3 358.486 2.190 20 30 FEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000478063623 561159468 /nfs/dbraw/zinc/15/94/68/561159468.db2.gz PCKNRSSPBOPCBG-CQSZACIVSA-N 0 3 354.410 2.300 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC4(CCCC4)CC3)CC2)o1 ZINC000158368607 545853854 /nfs/dbraw/zinc/85/38/54/545853854.db2.gz VHZDDHXUJNZDNL-UHFFFAOYSA-N 0 3 371.485 2.160 20 30 FEEDHN N#Cc1cccc(/C=C/C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000159275355 545938908 /nfs/dbraw/zinc/93/89/08/545938908.db2.gz BJGKSSVZTYCFEL-MHNQQFQPSA-N 0 3 361.445 2.107 20 30 FEEDHN C[C@H](c1ccncc1)N1CCC(N[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000159929191 545992391 /nfs/dbraw/zinc/99/23/91/545992391.db2.gz DSIIMNAHNOQZPK-QRWLVFNGSA-N 0 3 363.465 2.295 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000160120181 546009063 /nfs/dbraw/zinc/00/90/63/546009063.db2.gz LGZOXTCMUJGSFF-UHFFFAOYSA-N 0 3 371.500 2.443 20 30 FEEDHN CSc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1C ZINC000478691386 561172877 /nfs/dbraw/zinc/17/28/77/561172877.db2.gz CLQXHFMQECONFL-UHFFFAOYSA-N 0 3 357.483 2.218 20 30 FEEDHN O=C(NCCNCc1ccc(OC(F)F)c(F)c1)C1N=CC=CC1=O ZINC000168325109 546159729 /nfs/dbraw/zinc/15/97/29/546159729.db2.gz UTIJXOIVDBWIMX-CCEZHUSRSA-N 0 3 355.316 2.043 20 30 FEEDHN N=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)Nc1ccccn1 ZINC000170910685 546181324 /nfs/dbraw/zinc/18/13/24/546181324.db2.gz PWSHBFNGJSWCHN-GFCCVEGCSA-N 0 3 354.332 2.267 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000171718727 546220410 /nfs/dbraw/zinc/22/04/10/546220410.db2.gz CZRAEESSQXYJNY-UHFFFAOYSA-N 0 3 355.398 2.161 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000171730404 546221460 /nfs/dbraw/zinc/22/14/60/546221460.db2.gz AGZQWWVIEDSTNY-QGZVFWFLSA-N 0 3 372.513 2.471 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000173271687 546277044 /nfs/dbraw/zinc/27/70/44/546277044.db2.gz MYYDCNFEJSJCJR-UHFFFAOYSA-N 0 3 354.454 2.193 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000175322780 546308275 /nfs/dbraw/zinc/30/82/75/546308275.db2.gz ZRDIGPMCAOJSGG-HNNXBMFYSA-N 0 3 352.438 2.183 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000175387021 546309657 /nfs/dbraw/zinc/30/96/57/546309657.db2.gz YSRXGEAEUHUCSB-FQEVSTJZSA-N 0 3 369.513 2.260 20 30 FEEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000175769145 546345923 /nfs/dbraw/zinc/34/59/23/546345923.db2.gz QPNNUZUAJFIKRR-QGZVFWFLSA-N 0 3 362.493 2.407 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCc2cccc(C(=O)N(C)C)c2)CC1 ZINC000176499690 546454693 /nfs/dbraw/zinc/45/46/93/546454693.db2.gz OPRSPECRGZBUPU-UHFFFAOYSA-N 0 3 372.513 2.271 20 30 FEEDHN C=CCN(Cc1ccccc1F)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000480642779 561213573 /nfs/dbraw/zinc/21/35/73/561213573.db2.gz GLSWOMDTKDOMLD-CQSZACIVSA-N 0 3 369.458 2.323 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1cc2ccccc2n1 ZINC000480866697 561218786 /nfs/dbraw/zinc/21/87/86/561218786.db2.gz CACXJMLNZLHQKU-UHFFFAOYSA-N 0 3 361.449 2.498 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000177535246 546639150 /nfs/dbraw/zinc/63/91/50/546639150.db2.gz OAEIIIQLRUACOU-LSDHHAIUSA-N 0 3 374.510 2.429 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000178412183 546789087 /nfs/dbraw/zinc/78/90/87/546789087.db2.gz NXTYIYAKJGYMBA-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000178445629 546795037 /nfs/dbraw/zinc/79/50/37/546795037.db2.gz TXKVRAUFTWCDHY-GOSISDBHSA-N 0 3 364.449 2.094 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3cccc(OC)c3)C2)CC1 ZINC000178774885 546848182 /nfs/dbraw/zinc/84/81/82/546848182.db2.gz MUURKWKIDLFIAN-IBGZPJMESA-N 0 3 359.470 2.429 20 30 FEEDHN C=CCN1CCC(NC(=O)CCc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000179312802 546929717 /nfs/dbraw/zinc/92/97/17/546929717.db2.gz OZOSOQMSQFRHOK-UHFFFAOYSA-N 0 3 364.511 2.179 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000180017153 547039559 /nfs/dbraw/zinc/03/95/59/547039559.db2.gz NTGPRPDGHJDUNY-DLBZAZTESA-N 0 3 373.501 2.373 20 30 FEEDHN CC[C@H]1Oc2cc([C@@H](C)NCCC(=O)N(C)CCC#N)ccc2NC1=O ZINC000180029294 547040867 /nfs/dbraw/zinc/04/08/67/547040867.db2.gz DHHXINYMWPZXDY-CZUORRHYSA-N 0 3 358.442 2.209 20 30 FEEDHN CC(C)CN1CCO[C@@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180033854 547042071 /nfs/dbraw/zinc/04/20/71/547042071.db2.gz MEYYJNGMJKPTCP-FQEVSTJZSA-N 0 3 367.497 2.405 20 30 FEEDHN C[C@H](NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000180134310 547056766 /nfs/dbraw/zinc/05/67/66/547056766.db2.gz ZHRSIIAEXUKEAN-KRWDZBQOSA-N 0 3 363.465 2.343 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1 ZINC000180198154 547066769 /nfs/dbraw/zinc/06/67/69/547066769.db2.gz CEXZHWCSTNFZND-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180539595 547127568 /nfs/dbraw/zinc/12/75/68/547127568.db2.gz QRIFWCCPIQUQNR-IFXJQAMLSA-N 0 3 373.478 2.193 20 30 FEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(OC(F)F)cc1 ZINC000180870586 547198340 /nfs/dbraw/zinc/19/83/40/547198340.db2.gz BJAINPKAJDNATD-YZSSSTSJSA-N 0 3 351.353 2.465 20 30 FEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000180972615 547221863 /nfs/dbraw/zinc/22/18/63/547221863.db2.gz KVQWWZBLNQAPHR-OAHLLOKOSA-N 0 3 361.490 2.339 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](C(C)(C)C)C3)CC2)o1 ZINC000483257828 561272044 /nfs/dbraw/zinc/27/20/44/561272044.db2.gz SDODSDMUZPLTOS-INIZCTEOSA-N 0 3 373.501 2.261 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCSC2)cc1 ZINC000483460921 561277480 /nfs/dbraw/zinc/27/74/80/561277480.db2.gz RIGVVUPMLGRJMM-NEPJUHHUSA-N 0 3 353.469 2.247 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC(C)(C)O2)cc1 ZINC000483597018 561280466 /nfs/dbraw/zinc/28/04/66/561280466.db2.gz YLGBHXFTADBEAI-JSGCOSHPSA-N 0 3 365.455 2.451 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000182590215 547518052 /nfs/dbraw/zinc/51/80/52/547518052.db2.gz VMNUFDGWQXCDRN-SFHVURJKSA-N 0 3 357.454 2.184 20 30 FEEDHN CCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1 ZINC000182751180 547546776 /nfs/dbraw/zinc/54/67/76/547546776.db2.gz VQIDSSKPXWFVCW-LJQANCHMSA-N 0 3 358.461 2.409 20 30 FEEDHN CCCCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(N)=O ZINC000183048716 547592667 /nfs/dbraw/zinc/59/26/67/547592667.db2.gz GYGBAAMOWGNPCP-UHFFFAOYSA-N 0 3 362.499 2.415 20 30 FEEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000183186194 547617641 /nfs/dbraw/zinc/61/76/41/547617641.db2.gz RSQZOVKKHQJYEY-NSHGMRRFSA-N 0 3 370.472 2.266 20 30 FEEDHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000183360260 547644190 /nfs/dbraw/zinc/64/41/90/547644190.db2.gz LMEUSLPWFAXOND-IBGZPJMESA-N 0 3 357.502 2.310 20 30 FEEDHN CCN(CCO)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000183992169 547751232 /nfs/dbraw/zinc/75/12/32/547751232.db2.gz ZLOBYOBYTNKXEL-UHFFFAOYSA-N 0 3 367.449 2.181 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(C#N)ccc2OCCOC)CC1 ZINC000184623831 547856491 /nfs/dbraw/zinc/85/64/91/547856491.db2.gz GMRCDOSIMOLVII-UHFFFAOYSA-N 0 3 358.442 2.355 20 30 FEEDHN C=CCSc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000485459503 561319534 /nfs/dbraw/zinc/31/95/34/561319534.db2.gz BDZJACICAQDTJH-KRWDZBQOSA-N 0 3 373.522 2.343 20 30 FEEDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000185496171 547992980 /nfs/dbraw/zinc/99/29/80/547992980.db2.gz AKLVLZHAKCAYJF-UHFFFAOYSA-N 0 3 351.472 2.062 20 30 FEEDHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(CCCCC#N)C2)C(=O)C1 ZINC000186475245 548140322 /nfs/dbraw/zinc/14/03/22/548140322.db2.gz PKBUYRKBIBRXEJ-MRXNPFEDSA-N 0 3 364.490 2.224 20 30 FEEDHN C=CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000186634877 548163334 /nfs/dbraw/zinc/16/33/34/548163334.db2.gz GCDFETAMMBYGRK-RBUKOAKNSA-N 0 3 355.482 2.111 20 30 FEEDHN CCC(C)(C)[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(N(C)C)cc1 ZINC000186974384 548233649 /nfs/dbraw/zinc/23/36/49/548233649.db2.gz RBQIGCVCDRSZIS-UHFFFAOYSA-O 0 3 374.534 2.491 20 30 FEEDHN CN1CCc2cc(CN[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 ZINC000192244095 548361519 /nfs/dbraw/zinc/36/15/19/548361519.db2.gz VPODFTQELDYSEH-FQEVSTJZSA-N 0 3 360.461 2.441 20 30 FEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000236655741 548771366 /nfs/dbraw/zinc/77/13/66/548771366.db2.gz AOLVSCDLOFUWMY-SFHVURJKSA-N 0 3 357.454 2.208 20 30 FEEDHN CCS[C@@H]1CCCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245563196 548947913 /nfs/dbraw/zinc/94/79/13/548947913.db2.gz PMKXNWHHCRMHKF-QZTJIDSGSA-N 0 3 366.575 2.286 20 30 FEEDHN C[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000245882520 549009071 /nfs/dbraw/zinc/00/90/71/549009071.db2.gz NXBYSVKMSBRDTF-VQIMIIECSA-N 0 3 358.461 2.266 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000488174307 561385150 /nfs/dbraw/zinc/38/51/50/561385150.db2.gz GADKPIVOKAQVRF-INIZCTEOSA-N 0 3 358.486 2.275 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@H]21 ZINC000246326700 549105939 /nfs/dbraw/zinc/10/59/39/549105939.db2.gz ZHNXUOFSMDFREK-SWLSCSKDSA-N 0 3 353.875 2.316 20 30 FEEDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCCCCC1 ZINC000246387238 549121532 /nfs/dbraw/zinc/12/15/32/549121532.db2.gz OOLPLIYTRHWDEP-ICSRJNTNSA-N 0 3 354.498 2.487 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000246459434 549138248 /nfs/dbraw/zinc/13/82/48/549138248.db2.gz FQVRITARQINFCX-LMMKCTJWSA-N 0 3 356.422 2.479 20 30 FEEDHN Cc1nc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)ccc1C#N ZINC000488695822 561394738 /nfs/dbraw/zinc/39/47/38/561394738.db2.gz SDZAHWZOPXSYAB-UHFFFAOYSA-N 0 3 350.422 2.471 20 30 FEEDHN C=CCn1cccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000488824685 561397745 /nfs/dbraw/zinc/39/77/45/561397745.db2.gz ZKRVRUBFWVDDKQ-OALUTQOASA-N 0 3 353.466 2.287 20 30 FEEDHN Cc1ncc(S(=O)(=O)NCC(C)(C)N2C[C@@H](C)C[C@H](C)C2)cc1C#N ZINC000489115011 561403749 /nfs/dbraw/zinc/40/37/49/561403749.db2.gz FIYWMRYJPAUUBS-KBPBESRZSA-N 0 3 364.515 2.297 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@H]21 ZINC000248051801 549403814 /nfs/dbraw/zinc/40/38/14/549403814.db2.gz WLEMFKHXKURYDG-UKRRQHHQSA-N 0 3 353.875 2.316 20 30 FEEDHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1[C@H](C)CC[C@@H]1C ZINC000248988361 549537122 /nfs/dbraw/zinc/53/71/22/549537122.db2.gz GSYFQKHWYPMIJD-YYAJDYIMSA-N 0 3 368.481 2.037 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1CCC(NC(C)=O)CC1)C(C)C ZINC000263779335 549935438 /nfs/dbraw/zinc/93/54/38/549935438.db2.gz VXMYINNWYHXOCN-ACBHZAAOSA-N 0 3 364.534 2.432 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)ccc1F ZINC000264118394 549981496 /nfs/dbraw/zinc/98/14/96/549981496.db2.gz VCGQLGBPJSQJOI-UHFFFAOYSA-N 0 3 351.447 2.336 20 30 FEEDHN CC1(C)NC(=O)N(CCCN2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000264127778 549982530 /nfs/dbraw/zinc/98/25/30/549982530.db2.gz NVHRWAPKHBHLME-UHFFFAOYSA-N 0 3 370.453 2.122 20 30 FEEDHN C#CCN1CCC(C(=O)N(Cc2ccncc2)C[C@@H]2CCCN2CC)CC1 ZINC000264564879 549997885 /nfs/dbraw/zinc/99/78/85/549997885.db2.gz RFEJNPKVPNCIEM-NRFANRHFSA-N 0 3 368.525 2.240 20 30 FEEDHN CCCOc1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000264955667 550004156 /nfs/dbraw/zinc/00/41/56/550004156.db2.gz MFOJTZCADJVJKQ-HNENSFHCSA-N 0 3 359.426 2.100 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)C=CCN(C)C)nc1C ZINC000265662249 550013276 /nfs/dbraw/zinc/01/32/76/550013276.db2.gz DUJYGZSCDANSAW-VOTSOKGWSA-N 0 3 364.500 2.241 20 30 FEEDHN Cn1ccnc1[C@](O)(CCNCc1ccc(C#N)cc1F)C(F)(F)F ZINC000269388325 550189771 /nfs/dbraw/zinc/18/97/71/550189771.db2.gz BOFKVDDCYCYHET-OAHLLOKOSA-N 0 3 356.323 2.361 20 30 FEEDHN CCOc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1[N+](=O)[O-] ZINC000271432245 550374988 /nfs/dbraw/zinc/37/49/88/550374988.db2.gz DYUUHILFOUAEDK-NUMWXTGKSA-N 0 3 374.397 2.171 20 30 FEEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271846172 550405773 /nfs/dbraw/zinc/40/57/73/550405773.db2.gz QQLJIQRPDVGYHM-KDOFPFPSSA-N 0 3 365.433 2.168 20 30 FEEDHN C=CCS(=O)(=O)CCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000272856443 550473584 /nfs/dbraw/zinc/47/35/84/550473584.db2.gz OWALUQZHDALFPF-OAHLLOKOSA-N 0 3 367.515 2.016 20 30 FEEDHN C[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1=CCN(C)CC1 ZINC000272850722 550473637 /nfs/dbraw/zinc/47/36/37/550473637.db2.gz HHXLKNBLZQCDSE-HNNXBMFYSA-N 0 3 371.460 2.179 20 30 FEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000277854524 550721662 /nfs/dbraw/zinc/72/16/62/550721662.db2.gz YYTBXDJYVHMWSL-QGZVFWFLSA-N 0 3 361.461 2.471 20 30 FEEDHN CC[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000278351274 550776098 /nfs/dbraw/zinc/77/60/98/550776098.db2.gz ZGZSCHPOQRPIGA-SFHVURJKSA-N 0 3 350.422 2.014 20 30 FEEDHN CC(C)(C)N1C[C@@H](NCc2cn(CCC#N)nc2-c2ccncc2)CC1=O ZINC000278697385 550812528 /nfs/dbraw/zinc/81/25/28/550812528.db2.gz QOQHYWQBDAFQSM-KRWDZBQOSA-N 0 3 366.469 2.348 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000279251048 550869959 /nfs/dbraw/zinc/86/99/59/550869959.db2.gz HBOWCILTGCUGOC-UXHICEINSA-N 0 3 372.428 2.158 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000279278343 550872759 /nfs/dbraw/zinc/87/27/59/550872759.db2.gz ODDAWOKVLGOILI-KSZLIROESA-N 0 3 360.479 2.269 20 30 FEEDHN COc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)cc1C#N ZINC000279760060 550926111 /nfs/dbraw/zinc/92/61/11/550926111.db2.gz RHGFITNCLGGYKH-HKUYNNGSSA-N 0 3 371.460 2.345 20 30 FEEDHN CN(C)C(=O)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000280402229 550989762 /nfs/dbraw/zinc/98/97/62/550989762.db2.gz KZPVWHJYVXRGGQ-QGZVFWFLSA-N 0 3 352.438 2.005 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000281012792 551055019 /nfs/dbraw/zinc/05/50/19/551055019.db2.gz HKXPFKYUGIEORK-VQIMIIECSA-N 0 3 353.422 2.073 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(N)=S)cc1 ZINC000281170112 551070187 /nfs/dbraw/zinc/07/01/87/551070187.db2.gz ITRYPMLKDUKUFM-UHFFFAOYSA-N 0 3 366.490 2.396 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(CC)Cc1ccncc1)C(C)C ZINC000284080067 551480216 /nfs/dbraw/zinc/48/02/16/551480216.db2.gz OIKHLTLCUOOWTI-IBGZPJMESA-N 0 3 372.513 2.245 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccccn1)C(C)C ZINC000284097577 551483088 /nfs/dbraw/zinc/48/30/88/551483088.db2.gz PKHFVBURNUQLDS-MJGOQNOKSA-N 0 3 372.513 2.416 20 30 FEEDHN CCOC1CC(CON=C(N)c2ccccc2CN2CCC(O)CC2)C1 ZINC000285279475 551731209 /nfs/dbraw/zinc/73/12/09/551731209.db2.gz UFFXIYOGULJGFG-UHFFFAOYSA-N 0 3 361.486 2.095 20 30 FEEDHN CCN1C[C@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C ZINC000498941392 561538750 /nfs/dbraw/zinc/53/87/50/561538750.db2.gz YZRKWIBSKGXARC-CVEARBPZSA-N 0 3 366.469 2.097 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)CCCCc2ccccc2)CC1 ZINC000286494999 551892569 /nfs/dbraw/zinc/89/25/69/551892569.db2.gz KAXKMNMHISJOOX-UHFFFAOYSA-N 0 3 357.498 2.234 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(c3ccsc3)CC2)CC1 ZINC000286831909 551931034 /nfs/dbraw/zinc/93/10/34/551931034.db2.gz XGSNAJPIGVFREK-UHFFFAOYSA-N 0 3 361.511 2.221 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2c2cccn2C)CC1 ZINC000286836225 551931543 /nfs/dbraw/zinc/93/15/43/551931543.db2.gz XVHVOCLFKQNYLS-LJQANCHMSA-N 0 3 372.513 2.235 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC000287165585 551971771 /nfs/dbraw/zinc/97/17/71/551971771.db2.gz FWRUHQMIXZGTES-UHFFFAOYSA-N 0 3 351.454 2.220 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CSC2(C)C)cc1 ZINC000287343113 551991863 /nfs/dbraw/zinc/99/18/63/551991863.db2.gz PLVILXKSKSSPJZ-GWCFXTLKSA-N 0 3 353.469 2.388 20 30 FEEDHN Cn1cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000287414736 552001393 /nfs/dbraw/zinc/00/13/93/552001393.db2.gz ORRDGLHGCFEWRR-GOSISDBHSA-N 0 3 363.465 2.403 20 30 FEEDHN CCN1CCN([C@H]2CCN(c3nc4cc(Cl)ccn4c3C#N)C2)CC1 ZINC000287436454 552003748 /nfs/dbraw/zinc/00/37/48/552003748.db2.gz QWQIQGFJFJPTHF-HNNXBMFYSA-N 0 3 358.877 2.076 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)CC2CCC2)cc1 ZINC000287443811 552004977 /nfs/dbraw/zinc/00/49/77/552004977.db2.gz WKOWADSKRFMRDV-WFASDCNBSA-N 0 3 365.455 2.045 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000288079882 552087013 /nfs/dbraw/zinc/08/70/13/552087013.db2.gz HGNRYXIYPQZFTQ-MJGOQNOKSA-N 0 3 357.498 2.438 20 30 FEEDHN CC[C@H](CNC(=O)Cc1noc(C)c1C#N)N1CCc2ccccc2C1 ZINC000499542696 561553263 /nfs/dbraw/zinc/55/32/63/561553263.db2.gz VPBMHLLKAMXBNB-QGZVFWFLSA-N 0 3 352.438 2.350 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000288125072 552095463 /nfs/dbraw/zinc/09/54/63/552095463.db2.gz KGVBLRMTURHSRM-INMHGKMJSA-N 0 3 370.453 2.001 20 30 FEEDHN CN(C)CC1(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC1 ZINC000499644365 561555201 /nfs/dbraw/zinc/55/52/01/561555201.db2.gz FBXZDRPCZZOWHN-UHFFFAOYSA-N 0 3 361.389 2.340 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@@H]2COCCN2)cc1OC ZINC000530180511 562401556 /nfs/dbraw/zinc/40/15/56/562401556.db2.gz BNASGQIGFDAAMF-CYBMUJFWSA-N 0 3 371.275 2.101 20 30 FEEDHN C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000289462184 552325365 /nfs/dbraw/zinc/32/53/65/552325365.db2.gz MDDMAVSRTSLTHZ-QAPCUYQASA-N 0 3 370.478 2.142 20 30 FEEDHN CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)CC1 ZINC000291057273 552581604 /nfs/dbraw/zinc/58/16/04/552581604.db2.gz QZBYFSDWLHSOEV-UHFFFAOYSA-N 0 3 354.458 2.281 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](n3cccn3)C2)c(OC)c1 ZINC000292014051 552684738 /nfs/dbraw/zinc/68/47/38/552684738.db2.gz XXUXJAWFWXBIMH-MSOLQXFVSA-N 0 3 357.454 2.307 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCc1nnc(C)s1)C(C)C ZINC000292094839 552693323 /nfs/dbraw/zinc/69/33/23/552693323.db2.gz VBZCMEMLXIUIQO-HNNXBMFYSA-N 0 3 351.520 2.387 20 30 FEEDHN O=C(NCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1)C1N=CC=CC1=O ZINC000292224005 552706234 /nfs/dbraw/zinc/70/62/34/552706234.db2.gz QRYUZXXWRLNSTP-CLOLTHTBSA-N 0 3 373.428 2.409 20 30 FEEDHN CN1CC[C@]2(CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000292599704 552741695 /nfs/dbraw/zinc/74/16/95/552741695.db2.gz RPJGVGPICDPZAT-NRFANRHFSA-N 0 3 368.481 2.268 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H]1N1CCCC1 ZINC000293514580 552831611 /nfs/dbraw/zinc/83/16/11/552831611.db2.gz OCHZZEAEBKOWCR-ZWKOTPCHSA-N 0 3 358.511 2.276 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000293925137 552868543 /nfs/dbraw/zinc/86/85/43/552868543.db2.gz HIVJKAQABVRMLH-UHFFFAOYSA-N 0 3 366.343 2.440 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNC(=O)[C@]2(C#N)CC23CCCC3)c1 ZINC000294576424 552917081 /nfs/dbraw/zinc/91/70/81/552917081.db2.gz MCJLZIRRRUKPSA-OAQYLSRUSA-N 0 3 368.481 2.068 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000294766324 552932556 /nfs/dbraw/zinc/93/25/56/552932556.db2.gz BNPJBRBQASVBLG-UHFFFAOYSA-N 0 3 350.394 2.180 20 30 FEEDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295250320 552975720 /nfs/dbraw/zinc/97/57/20/552975720.db2.gz QKGCLTWWBREUSM-KRWDZBQOSA-N 0 3 353.463 2.333 20 30 FEEDHN CCN1CCN(CCCNc2ncc(Br)cc2C#N)CC1 ZINC000296278327 553134269 /nfs/dbraw/zinc/13/42/69/553134269.db2.gz HBOOXQBVAHRKDQ-UHFFFAOYSA-N 0 3 352.280 2.155 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(C)C ZINC000502629238 561622519 /nfs/dbraw/zinc/62/25/19/561622519.db2.gz AYXTTWPSRAZZRO-RTBURBONSA-N 0 3 374.533 2.398 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000296446926 553161171 /nfs/dbraw/zinc/16/11/71/553161171.db2.gz OUBSGKLAQCJQEM-CYBMUJFWSA-N 0 3 351.422 2.158 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H]2CCC[C@H]2CCO)cc1 ZINC000502855184 561627887 /nfs/dbraw/zinc/62/78/87/561627887.db2.gz KCQVGAIJODXJSQ-LPHOPBHVSA-N 0 3 359.470 2.473 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000297509520 553301892 /nfs/dbraw/zinc/30/18/92/553301892.db2.gz OYYMDWYJIDIQOA-WOJBJXKFSA-N 0 3 365.481 2.366 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000298614279 553449311 /nfs/dbraw/zinc/44/93/11/553449311.db2.gz RQWKNRXVSLBMKY-GOSISDBHSA-N 0 3 373.497 2.010 20 30 FEEDHN C=CCc1cc(C(=O)NC2CCN(CCOC)CC2)cc(OC)c1OC ZINC000299242788 553535992 /nfs/dbraw/zinc/53/59/92/553535992.db2.gz OZPOTPXIIFQNET-UHFFFAOYSA-N 0 3 362.470 2.273 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1cnc2ccccc21 ZINC000299376907 553555076 /nfs/dbraw/zinc/55/50/76/553555076.db2.gz XVDUSYHSPJHKHP-UHFFFAOYSA-N 0 3 361.449 2.498 20 30 FEEDHN N#Cc1ccc(NC(=O)NCCCN2CCN(c3ccncc3)CC2)cc1 ZINC000299553514 553580198 /nfs/dbraw/zinc/58/01/98/553580198.db2.gz LQBDIDAPTNAOQD-UHFFFAOYSA-N 0 3 364.453 2.287 20 30 FEEDHN C=CCCc1ccccc1NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000504413421 561657782 /nfs/dbraw/zinc/65/77/82/561657782.db2.gz JYIJCFAAIMSVHP-QGZVFWFLSA-N 0 3 373.497 2.361 20 30 FEEDHN CCN1CCN([C@@H](C)CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301520637 553657616 /nfs/dbraw/zinc/65/76/16/553657616.db2.gz LDPJNWLVMBLSKZ-AWEZNQCLSA-N 0 3 368.441 2.453 20 30 FEEDHN Cc1cc(NC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)ncc1C#N ZINC000603114195 553710865 /nfs/dbraw/zinc/71/08/65/553710865.db2.gz SEPWTNHHZALULJ-UHFFFAOYSA-N 0 3 370.501 2.143 20 30 FEEDHN N#Cc1cnc(N[C@H]2CCCN(CCN3CCOCC3)C2)c2sccc21 ZINC000603421770 553784325 /nfs/dbraw/zinc/78/43/25/553784325.db2.gz BXWUJTYXQPZFGJ-INIZCTEOSA-N 0 3 371.510 2.376 20 30 FEEDHN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CC[C@H](N2CC=CC2)C1 ZINC000328598010 553794685 /nfs/dbraw/zinc/79/46/85/553794685.db2.gz AUXORWWHXDLOOF-SFHVURJKSA-N 0 3 354.454 2.414 20 30 FEEDHN O=C(CN[C@@H]1CCC(=O)NC12CCC2)NC[C@H]1COc2ccccc2O1 ZINC000328722271 553812676 /nfs/dbraw/zinc/81/26/76/553812676.db2.gz XKRUGVKNGCSTMG-XJKSGUPXSA-N 0 3 359.426 2.414 20 30 FEEDHN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)CCO2)n1 ZINC000328743704 553815524 /nfs/dbraw/zinc/81/55/24/553815524.db2.gz OMOCIRBJXWMHKY-GLQYFDAESA-N 0 3 350.488 2.222 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328760765 553818240 /nfs/dbraw/zinc/81/82/40/553818240.db2.gz XSLONVNNDHBRAF-HOCLYGCPSA-N 0 3 364.490 2.127 20 30 FEEDHN CC(=O)N1CCCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000328825199 553828583 /nfs/dbraw/zinc/82/85/83/553828583.db2.gz RUGRGNNXNZRZAZ-QFBILLFUSA-N 0 3 358.486 2.290 20 30 FEEDHN Cc1csc([C@@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)CCO2)n1 ZINC000329022344 553866432 /nfs/dbraw/zinc/86/64/32/553866432.db2.gz TZVSPLIGUMINPR-INIZCTEOSA-N 0 3 364.515 2.408 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000329040676 553869417 /nfs/dbraw/zinc/86/94/17/553869417.db2.gz DKQJKICZOYJSSX-MRXNPFEDSA-N 0 3 351.491 2.189 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000329093671 553879132 /nfs/dbraw/zinc/87/91/32/553879132.db2.gz XMEQAMJKJDDHRM-QGZVFWFLSA-N 0 3 356.470 2.266 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000329096805 553879608 /nfs/dbraw/zinc/87/96/08/553879608.db2.gz YGMFFELFNSQLAM-HUMVNOLHSA-N 0 3 351.491 2.042 20 30 FEEDHN CSc1cc(CNC(=O)C(C)S(=O)(=O)C2CCOCC2)ccn1 ZINC000329154146 553890698 /nfs/dbraw/zinc/89/06/98/553890698.db2.gz UOSRHVZMVQJCTQ-NSHDSACASA-N 0 3 358.485 2.242 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000329203695 553901690 /nfs/dbraw/zinc/90/16/90/553901690.db2.gz WKKHCFXBLYRGIY-OWSLCNJRSA-N 0 3 351.491 2.043 20 30 FEEDHN O=C(NCC1CCN(C(=O)c2ccccc2)CC1)N[C@H]1CCN(C2CC2)C1 ZINC000329412772 553941913 /nfs/dbraw/zinc/94/19/13/553941913.db2.gz FEVZOHLWUZZCLX-SFHVURJKSA-N 0 3 370.497 2.279 20 30 FEEDHN O=C(CN1CC[C@H](CCO)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000329596406 553973676 /nfs/dbraw/zinc/97/36/76/553973676.db2.gz IONBOJNPENJAMA-MRXNPFEDSA-N 0 3 359.470 2.218 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000329624614 553978732 /nfs/dbraw/zinc/97/87/32/553978732.db2.gz OGRBUZVMNBWEAG-GDBMZVCRSA-N 0 3 356.474 2.880 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H](N4CCCCC4)C3)C2)nn1 ZINC000329656715 553983461 /nfs/dbraw/zinc/98/34/61/553983461.db2.gz GKMAGQMSLNRSLU-ZWKOTPCHSA-N 0 3 372.517 2.228 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CCN1C ZINC000329680452 553987580 /nfs/dbraw/zinc/98/75/80/553987580.db2.gz WLWDPYJNPSZTNY-UHXUPSOCSA-N 0 3 371.528 2.341 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000329764224 554001953 /nfs/dbraw/zinc/00/19/53/554001953.db2.gz VMFRBSYPDBEGLB-KRWDZBQOSA-N 0 3 371.485 2.051 20 30 FEEDHN CCc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)CC2)cc1 ZINC000329824011 554012866 /nfs/dbraw/zinc/01/28/66/554012866.db2.gz ZTVHAOZYVQKTFE-VQIMIIECSA-N 0 3 372.513 2.404 20 30 FEEDHN CN1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CCC1=O ZINC000329823149 554012873 /nfs/dbraw/zinc/01/28/73/554012873.db2.gz ZJCZFDCECIUOLU-VBQJREDUSA-N 0 3 364.515 2.255 20 30 FEEDHN CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000329936994 554035632 /nfs/dbraw/zinc/03/56/32/554035632.db2.gz DLFSATZDWQDNAD-HNAYVOBHSA-N 0 3 364.534 2.149 20 30 FEEDHN C[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)C1=CCN(C)CC1 ZINC000329941443 554036323 /nfs/dbraw/zinc/03/63/23/554036323.db2.gz GQKLYXZSDVCKBM-ZOCIIQOWSA-N 0 3 357.454 2.192 20 30 FEEDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329994350 554046344 /nfs/dbraw/zinc/04/63/44/554046344.db2.gz ZDSQELYLBMIOAH-QKNQBKEWSA-N 0 3 373.497 2.350 20 30 FEEDHN CC(=O)N1CCC[C@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000330023113 554050736 /nfs/dbraw/zinc/05/07/36/554050736.db2.gz IFTCWYAOMAHQCD-LJQANCHMSA-N 0 3 364.534 2.357 20 30 FEEDHN Cc1cccn2cc(CNC(=O)C(C)S(=O)(=O)C3CCOCC3)nc12 ZINC000330043710 554053991 /nfs/dbraw/zinc/05/39/91/554053991.db2.gz ANINJZLONREGHB-ZDUSSCGKSA-N 0 3 365.455 2.082 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CCN1C ZINC000330093469 554063490 /nfs/dbraw/zinc/06/34/90/554063490.db2.gz RPAGZLKDKZXJRO-ZBFHGGJFSA-N 0 3 360.506 2.191 20 30 FEEDHN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1(C)C ZINC000330215420 554086949 /nfs/dbraw/zinc/08/69/49/554086949.db2.gz HABVRYOSJXCWKN-XOSAIJSUSA-N 0 3 353.507 2.145 20 30 FEEDHN Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1N1CCNC1=O ZINC000330238366 554090971 /nfs/dbraw/zinc/09/09/71/554090971.db2.gz ZWCZLAVQQVLCBR-CVEARBPZSA-N 0 3 357.458 2.443 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000330239576 554091096 /nfs/dbraw/zinc/09/10/96/554091096.db2.gz DVSHCYKCIREULM-CRAIPNDOSA-N 0 3 359.470 2.089 20 30 FEEDHN CCN1CCC[C@H](NC(=O)N2CCC[C@H](Oc3ncccc3F)C2)C1 ZINC000330261555 554095219 /nfs/dbraw/zinc/09/52/19/554095219.db2.gz PELKIBCEVJBKAY-GJZGRUSLSA-N 0 3 350.438 2.462 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330268385 554096313 /nfs/dbraw/zinc/09/63/13/554096313.db2.gz RDOZCPDMBKMFNL-IXDOHACOSA-N 0 3 353.507 2.339 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000330452538 554123517 /nfs/dbraw/zinc/12/35/17/554123517.db2.gz KUAFRMQDUJIIIK-LLVKDONJSA-N 0 3 359.879 2.024 20 30 FEEDHN COCCn1nc(C)c(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1C ZINC000330829526 554176943 /nfs/dbraw/zinc/17/69/43/554176943.db2.gz GNYRXNCTBJEOHR-AWEZNQCLSA-N 0 3 351.495 2.354 20 30 FEEDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000331135308 554219885 /nfs/dbraw/zinc/21/98/85/554219885.db2.gz KICBKLWYNRURCB-MRXNPFEDSA-N 0 3 350.488 2.195 20 30 FEEDHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000331282537 554241247 /nfs/dbraw/zinc/24/12/47/554241247.db2.gz DLEFSDCYYHIYCD-DNVCBOLYSA-N 0 3 351.491 2.462 20 30 FEEDHN C=CCOc1ccc(CNC(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000509340662 561795631 /nfs/dbraw/zinc/79/56/31/561795631.db2.gz BJVZDFWSDBWLHL-SFHVURJKSA-N 0 3 361.486 2.143 20 30 FEEDHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000332587123 554476875 /nfs/dbraw/zinc/47/68/75/554476875.db2.gz CMMDEAVZDYNMRL-GJZGRUSLSA-N 0 3 367.490 2.485 20 30 FEEDHN CC(C#N)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000510421992 561834188 /nfs/dbraw/zinc/83/41/88/561834188.db2.gz ZTRQBYDCPHCPGS-SWLSCSKDSA-N 0 3 355.360 2.355 20 30 FEEDHN C[C@H]1COCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000510616496 561840918 /nfs/dbraw/zinc/84/09/18/561840918.db2.gz OPCPXEAWRZQOFY-QFBILLFUSA-N 0 3 358.486 2.304 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@H](C2CC2)N(C)Cc2ccccc2)C1=O ZINC000348608153 554691528 /nfs/dbraw/zinc/69/15/28/554691528.db2.gz ZWEUMDPFOUUBEM-ZWKOTPCHSA-N 0 3 357.454 2.020 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000361288076 554914663 /nfs/dbraw/zinc/91/46/63/554914663.db2.gz OEIPWMBDCFFWLL-RBUKOAKNSA-N 0 3 354.454 2.119 20 30 FEEDHN C=CCn1c(C)cc(C(=O)CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1C ZINC000362701693 554981438 /nfs/dbraw/zinc/98/14/38/554981438.db2.gz JDWJUCAWSHJWFE-UTKZUKDTSA-N 0 3 372.557 2.431 20 30 FEEDHN C#CC[C@H](NC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1)c1ccccc1 ZINC000362729346 554984852 /nfs/dbraw/zinc/98/48/52/554984852.db2.gz XXMJWLMYTOGUIG-FPOVZHCZSA-N 0 3 368.525 2.420 20 30 FEEDHN CN(CCC#N)c1ccc(CN[C@H]2CCCc3c2cnn3CCO)cc1 ZINC000363178732 555047070 /nfs/dbraw/zinc/04/70/70/555047070.db2.gz VURBURWFVKUTQS-IBGZPJMESA-N 0 3 353.470 2.392 20 30 FEEDHN C=CCN(CC(=O)NC1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363184769 555048311 /nfs/dbraw/zinc/04/83/11/555048311.db2.gz GRPAHOGXPCVEQH-HXUWFJFHSA-N 0 3 357.498 2.044 20 30 FEEDHN Cc1cccc(CN2CCC(NC(=O)N=c3ccn(CCC#N)[nH]3)CC2)c1 ZINC000363421884 555101601 /nfs/dbraw/zinc/10/16/01/555101601.db2.gz JWLRKRVFRYEAQN-UHFFFAOYSA-N 0 3 366.469 2.891 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCCC[C@@H]1CN1CCCC1=O ZINC000363527860 555129215 /nfs/dbraw/zinc/12/92/15/555129215.db2.gz YBSBUJYXCASVSA-OAHLLOKOSA-N 0 3 360.483 2.425 20 30 FEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000363943640 555219133 /nfs/dbraw/zinc/21/91/33/555219133.db2.gz AFKQZKZRJBYRJV-INIZCTEOSA-N 0 3 367.457 2.381 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000364147206 555258869 /nfs/dbraw/zinc/25/88/69/555258869.db2.gz TXMSEDGKILSLHI-CHWSQXEVSA-N 0 3 373.432 2.371 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)C2CCN(Cc3ccncc3)CC2)CC1 ZINC000364193004 555267011 /nfs/dbraw/zinc/26/70/11/555267011.db2.gz VEHYKVZKPIEIKM-UHFFFAOYSA-N 0 3 371.529 2.338 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000364414429 555309252 /nfs/dbraw/zinc/30/92/52/555309252.db2.gz GGFMNIDNZYIQTI-HNNXBMFYSA-N 0 3 373.884 2.154 20 30 FEEDHN N#Cc1ccc(OCC(=O)NC2CCN(CCc3ccncc3)CC2)cc1 ZINC000364487028 555322525 /nfs/dbraw/zinc/32/25/25/555322525.db2.gz YEJIBAYEOJDULT-UHFFFAOYSA-N 0 3 364.449 2.155 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12)C(C)C ZINC000512392992 561903084 /nfs/dbraw/zinc/90/30/84/561903084.db2.gz MWYWXZKSPHCTEM-KZNAEPCWSA-N 0 3 362.518 2.138 20 30 FEEDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000364597759 555349096 /nfs/dbraw/zinc/34/90/96/555349096.db2.gz GHZNRSJYCQQUCR-MRXNPFEDSA-N 0 3 367.497 2.236 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3F)C2)CC1 ZINC000364738183 555389922 /nfs/dbraw/zinc/38/99/22/555389922.db2.gz TXLTUDIHVFCHCQ-HNNXBMFYSA-N 0 3 359.445 2.254 20 30 FEEDHN N#Cc1ccc(Br)c(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000365201866 555509990 /nfs/dbraw/zinc/50/99/90/555509990.db2.gz KGUICNGCNKOCGO-IAGOWNOFSA-N 0 3 364.287 2.352 20 30 FEEDHN CC(C)(CCC#N)CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000513114243 561925924 /nfs/dbraw/zinc/92/59/24/561925924.db2.gz YZWNULQRQNEQBE-HXUWFJFHSA-N 0 3 358.486 2.253 20 30 FEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCCC[C@H]2N2CCOCC2)c(C#N)c1C ZINC000365597953 555619234 /nfs/dbraw/zinc/61/92/34/555619234.db2.gz JJIBKGWLOXDMLY-JCGIZDLHSA-N 0 3 374.485 2.328 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000366729641 555919822 /nfs/dbraw/zinc/91/98/22/555919822.db2.gz MPQLCQZAXCIEJV-QFBILLFUSA-N 0 3 351.491 2.006 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1CCN(CC)C2 ZINC000367194496 556002839 /nfs/dbraw/zinc/00/28/39/556002839.db2.gz JRMRKUQQPUDVPQ-BEFAXECRSA-N 0 3 371.481 2.101 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000515468144 562011538 /nfs/dbraw/zinc/01/15/38/562011538.db2.gz KHWKFKAJWDZAPW-DZGCQCFKSA-N 0 3 371.312 2.368 20 30 FEEDHN Cc1nc(CO[C@@H]2CCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)cs1 ZINC000368998695 556472263 /nfs/dbraw/zinc/47/22/63/556472263.db2.gz BJSFVBGORLQORR-IEBWSBKVSA-N 0 3 373.478 2.354 20 30 FEEDHN N#C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCN1C1CC1 ZINC000369219259 556539038 /nfs/dbraw/zinc/53/90/38/556539038.db2.gz NHSPHUHZUXTWPY-SJORKVTESA-N 0 3 373.526 2.267 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000369682574 556667295 /nfs/dbraw/zinc/66/72/95/556667295.db2.gz FRQVKZJZXYZOSJ-FVVUREQNSA-N 0 3 350.503 2.363 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1=O ZINC000369855756 556713578 /nfs/dbraw/zinc/71/35/78/556713578.db2.gz JDNDOYBWEKIBBG-RTBURBONSA-N 0 3 370.497 2.079 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC3CCN(C4CC4)CC3)C2)n1 ZINC000369937450 556735735 /nfs/dbraw/zinc/73/57/35/556735735.db2.gz PZEFKOYMYIMGNT-QGZVFWFLSA-N 0 3 367.497 2.221 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)CC1 ZINC000369994802 556751754 /nfs/dbraw/zinc/75/17/54/556751754.db2.gz IXNLIRLMFHBKBZ-LJQANCHMSA-N 0 3 353.510 2.455 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000370304291 556834928 /nfs/dbraw/zinc/83/49/28/556834928.db2.gz XOXAOTTXJAZFQN-MOPGFXCFSA-N 0 3 373.497 2.382 20 30 FEEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@]2(C1)CCCN(C)C2=O ZINC000370406492 556863241 /nfs/dbraw/zinc/86/32/41/556863241.db2.gz NAIMLEDDNVUBEH-UWJYYQICSA-N 0 3 368.481 2.266 20 30 FEEDHN N#Cc1ccc(CSCC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000370487925 556887885 /nfs/dbraw/zinc/88/78/85/556887885.db2.gz QFEOESKWWJVPOC-GOSISDBHSA-N 0 3 359.495 2.161 20 30 FEEDHN COc1ccc([C@H](NCC(=O)NC2(C#N)CCC2)C2CCOCC2)cc1 ZINC000370516664 556897177 /nfs/dbraw/zinc/89/71/77/556897177.db2.gz DTQONDXYQIAYKD-IBGZPJMESA-N 0 3 357.454 2.315 20 30 FEEDHN Cc1cccc(S(=O)(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1C#N ZINC000371000570 557041537 /nfs/dbraw/zinc/04/15/37/557041537.db2.gz WKJWBHLZQDEMPB-OAHLLOKOSA-N 0 3 371.462 2.385 20 30 FEEDHN CN(C1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000371530992 557211638 /nfs/dbraw/zinc/21/16/38/557211638.db2.gz OSYWRXZSHMBOOV-UHFFFAOYSA-N 0 3 374.441 2.382 20 30 FEEDHN C=CCN1CCC(NC(=O)Cn2cc(C(=O)OC)c3ccccc32)CC1 ZINC000517995040 562102263 /nfs/dbraw/zinc/10/22/63/562102263.db2.gz XEKLENZTRDTQTE-UHFFFAOYSA-N 0 3 355.438 2.195 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCCN1CCN(C)CC1 ZINC000518021525 562102689 /nfs/dbraw/zinc/10/26/89/562102689.db2.gz YJLAREDJJMSBSD-FQEVSTJZSA-N 0 3 372.513 2.105 20 30 FEEDHN COc1ccc(O[C@H](C)CNC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000518362692 562109608 /nfs/dbraw/zinc/10/96/08/562109608.db2.gz SVRKYHQPWLNHQD-WBVHZDCISA-N 0 3 356.422 2.364 20 30 FEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000518870258 562120082 /nfs/dbraw/zinc/12/00/82/562120082.db2.gz AZLUIWCIENLCGC-JZXOWHBKSA-N 0 3 371.485 2.379 20 30 FEEDHN CC1(c2ccccc2)CC(NCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000518963718 562122010 /nfs/dbraw/zinc/12/20/10/562122010.db2.gz LIDNQMNRZPJWKJ-UHFFFAOYSA-N 0 3 355.463 2.437 20 30 FEEDHN COCC[C@@H](Cc1ccco1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000518966517 562122014 /nfs/dbraw/zinc/12/20/14/562122014.db2.gz QKPTVFZBTQCOQK-INIZCTEOSA-N 0 3 362.451 2.162 20 30 FEEDHN COC(=O)c1ccc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)n1 ZINC000519667348 562139156 /nfs/dbraw/zinc/13/91/56/562139156.db2.gz DLCXDJYCZKHMTA-GJZGRUSLSA-N 0 3 372.469 2.065 20 30 FEEDHN N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000372989268 557604489 /nfs/dbraw/zinc/60/44/89/557604489.db2.gz JAZFTZLLNZYSBA-QGZVFWFLSA-N 0 3 370.478 2.144 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCOC3(CCOCC3)CC2)cc1 ZINC000373402765 557687445 /nfs/dbraw/zinc/68/74/45/557687445.db2.gz CSJXNUIJZKXWKL-SFHVURJKSA-N 0 3 353.422 2.039 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccnc2-n2ccnc2)cc1 ZINC000373442092 557694360 /nfs/dbraw/zinc/69/43/60/557694360.db2.gz JHRKEDWCAWABGW-GOSISDBHSA-N 0 3 356.389 2.138 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@]3(C2)c2ccccc2NC3=O)CC1 ZINC000373599667 557726747 /nfs/dbraw/zinc/72/67/47/557726747.db2.gz VSNFJYCLRYXKSN-OAQYLSRUSA-N 0 3 368.481 2.332 20 30 FEEDHN C=CCN1CCC(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000520683293 562161524 /nfs/dbraw/zinc/16/15/24/562161524.db2.gz KQLHLUVMOOJAGO-UHFFFAOYSA-N 0 3 373.541 2.476 20 30 FEEDHN COc1cccc([C@@H]2[C@H](N[C@H](C)C(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000374766756 557927979 /nfs/dbraw/zinc/92/79/79/557927979.db2.gz MXQVTQQVNNWISN-CDHQVMDDSA-N 0 3 370.497 2.323 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@@H]21 ZINC000375053975 557970762 /nfs/dbraw/zinc/97/07/62/557970762.db2.gz JHMIEICGGFVPIB-ZBFHGGJFSA-N 0 3 372.494 2.183 20 30 FEEDHN C(#CCN1CCC[C@H](c2cc[nH]n2)C1)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000375473790 558033662 /nfs/dbraw/zinc/03/36/62/558033662.db2.gz OMWDKPVUBJINMF-HDICACEKSA-N 0 3 352.486 2.195 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000375907074 558097400 /nfs/dbraw/zinc/09/74/00/558097400.db2.gz RBVQHKZEGORMPJ-IBGZPJMESA-N 0 3 351.498 2.411 20 30 FEEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000376191669 558138684 /nfs/dbraw/zinc/13/86/84/558138684.db2.gz ZGJUALGZBOMYAY-NEPJUHHUSA-N 0 3 362.355 2.221 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](CO)C2CCCC2)cc1 ZINC000521695790 562182421 /nfs/dbraw/zinc/18/24/21/562182421.db2.gz ZHIRKXQEKNDXAQ-IBGZPJMESA-N 0 3 359.470 2.473 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CCN1C1CCN(C)CC1 ZINC000376810608 558224462 /nfs/dbraw/zinc/22/44/62/558224462.db2.gz JPCXFRLDHKBAHI-INIZCTEOSA-N 0 3 355.486 2.385 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCN(C(=O)CC)CC1)C(C)C ZINC000377443710 558341842 /nfs/dbraw/zinc/34/18/42/558341842.db2.gz TZSWNSKYEDEMBW-SFHVURJKSA-N 0 3 364.534 2.339 20 30 FEEDHN CN1CC[C@H](NCC(=O)NC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377676378 558393917 /nfs/dbraw/zinc/39/39/17/558393917.db2.gz QDDQQXHWQDUROT-DOTOQJQBSA-N 0 3 364.852 2.376 20 30 FEEDHN Cc1cc(=NC(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)[nH]n1CCC#N ZINC000378513445 558573133 /nfs/dbraw/zinc/57/31/33/558573133.db2.gz SKRYUEMEQIGEBY-PBHICJAKSA-N 0 3 372.498 2.981 20 30 FEEDHN Cc1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2)ccc1CN(C)C ZINC000411140137 558843870 /nfs/dbraw/zinc/84/38/70/558843870.db2.gz ZNIZKBIZXXQNAN-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411494570 558904805 /nfs/dbraw/zinc/90/48/05/558904805.db2.gz SYWQQRBGPLWTNY-YJBOKZPZSA-N 0 3 359.470 2.093 20 30 FEEDHN N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000525852999 562257426 /nfs/dbraw/zinc/25/74/26/562257426.db2.gz OATJCWBTAQVFAS-UPTPFMHGSA-N 0 3 369.469 2.179 20 30 FEEDHN C=C(C)CCNC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413596234 559119241 /nfs/dbraw/zinc/11/92/41/559119241.db2.gz TYWIUIKVCUINGZ-UHFFFAOYSA-N 0 3 358.486 2.149 20 30 FEEDHN N#Cc1cscc1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413973179 559144256 /nfs/dbraw/zinc/14/42/56/559144256.db2.gz CCFHPBAGHFKHNT-UHFFFAOYSA-N 0 3 355.463 2.377 20 30 FEEDHN CCN1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000527103052 562276392 /nfs/dbraw/zinc/27/63/92/562276392.db2.gz IIYOFPLRMCTCPM-UHFFFAOYSA-N 0 3 371.485 2.380 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](N)c2ccccc2)cc1C#N ZINC000415399020 559231260 /nfs/dbraw/zinc/23/12/60/559231260.db2.gz XTSBWROSXQOWEV-KRWDZBQOSA-N 0 3 366.421 2.100 20 30 FEEDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000415437248 559236769 /nfs/dbraw/zinc/23/67/69/559236769.db2.gz ZELURAZQUNIORH-AWEZNQCLSA-N 0 3 371.466 2.110 20 30 FEEDHN CNCc1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000415925559 559282792 /nfs/dbraw/zinc/28/27/92/559282792.db2.gz BCHFAAPXJMRCDP-UHFFFAOYSA-N 0 3 350.426 2.027 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419794811 559459645 /nfs/dbraw/zinc/45/96/45/559459645.db2.gz HSJOBUIJIIXAAY-CYBMUJFWSA-N 0 3 360.483 2.087 20 30 FEEDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000420004517 559468503 /nfs/dbraw/zinc/46/85/03/559468503.db2.gz WJTBETXAHQOTPS-HXUWFJFHSA-N 0 3 356.470 2.378 20 30 FEEDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000420031776 559469672 /nfs/dbraw/zinc/46/96/72/559469672.db2.gz FSCPXNIIVPJPSN-FQEVSTJZSA-N 0 3 371.437 2.163 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000422523741 559592779 /nfs/dbraw/zinc/59/27/79/559592779.db2.gz DMQWZKFFOFINNS-SFHVURJKSA-N 0 3 357.498 2.233 20 30 FEEDHN CN(CCOc1ccc(Br)cc1)C(=O)[C@H](N)CCCC#N ZINC000424073020 559653755 /nfs/dbraw/zinc/65/37/55/559653755.db2.gz DUKZPRUDAAMWFB-CQSZACIVSA-N 0 3 354.248 2.307 20 30 FEEDHN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@@H](N)CCCC#N)O[C@H](C)C2 ZINC000424135191 559655804 /nfs/dbraw/zinc/65/58/04/559655804.db2.gz JANBBYMSYYGDGF-QCPWZWHMSA-N 0 3 357.454 2.402 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000424176434 559656806 /nfs/dbraw/zinc/65/68/06/559656806.db2.gz XTTRDRKIHLDPHZ-KRWDZBQOSA-N 0 3 351.454 2.032 20 30 FEEDHN C=CCCn1cc(C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)nn1 ZINC000424589213 559670396 /nfs/dbraw/zinc/67/03/96/559670396.db2.gz WVUVOGWGAACQLP-UHFFFAOYSA-N 0 3 368.485 2.244 20 30 FEEDHN C=CCC1(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)CCOCC1 ZINC000424750432 559675621 /nfs/dbraw/zinc/67/56/21/559675621.db2.gz SLPLYICROXBXGJ-UHFFFAOYSA-N 0 3 363.546 2.376 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425057027 559685427 /nfs/dbraw/zinc/68/54/27/559685427.db2.gz LINPYQMDQMFLAO-DLBZAZTESA-N 0 3 357.454 2.278 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)nn1 ZINC000425395642 559700049 /nfs/dbraw/zinc/70/00/49/559700049.db2.gz NTZYCRAEVHAUDI-GOSISDBHSA-N 0 3 354.458 2.100 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425504376 559706478 /nfs/dbraw/zinc/70/64/78/559706478.db2.gz WAUSCIAATJUHHX-YSIASYRMSA-N 0 3 354.498 2.201 20 30 FEEDHN N#Cc1cccc(NC(=O)CN[C@@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425531946 559708159 /nfs/dbraw/zinc/70/81/59/559708159.db2.gz BFSGAAFNLGBJPO-IBGZPJMESA-N 0 3 357.454 2.044 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)nn1 ZINC000425561355 559709767 /nfs/dbraw/zinc/70/97/67/559709767.db2.gz ANOUGDBMBPDWRA-IBGZPJMESA-N 0 3 368.485 2.409 20 30 FEEDHN Cc1nsc(N2CCN(C(=O)c3ccccc3CN(C)C)CC2)c1C#N ZINC000427592592 559758437 /nfs/dbraw/zinc/75/84/37/559758437.db2.gz QCNUSEFFJADPLW-UHFFFAOYSA-N 0 3 369.494 2.347 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000428591684 559779271 /nfs/dbraw/zinc/77/92/71/559779271.db2.gz RMRYWNFPIXNQKH-UYAOXDASSA-N 0 3 361.461 2.241 20 30 FEEDHN C[C@@H]1CCN(C)CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527352271 562286205 /nfs/dbraw/zinc/28/62/05/562286205.db2.gz FNJFGEZNURWKHG-FAEJEUNOSA-N 0 3 371.485 2.379 20 30 FEEDHN CC(=O)N[C@H]1CCCN(C(=O)CN[C@H](CCCC#N)c2ccccc2)C1 ZINC000433014516 559869905 /nfs/dbraw/zinc/86/99/05/559869905.db2.gz SJBAIEDEPAWYRY-RBUKOAKNSA-N 0 3 356.470 2.138 20 30 FEEDHN CS(=O)(=O)c1ccc(CNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433318327 559876930 /nfs/dbraw/zinc/87/69/30/559876930.db2.gz NVJACDZFXSUNSW-QGZVFWFLSA-N 0 3 356.447 2.479 20 30 FEEDHN Cc1nsc(N2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)n1 ZINC000433380137 559879180 /nfs/dbraw/zinc/87/91/80/559879180.db2.gz ZDZNDVYBPFCZQL-MRXNPFEDSA-N 0 3 355.467 2.268 20 30 FEEDHN Cc1cc(C(C#N)C(=O)c2cc3c(nc4ccccn4c3=O)n2C)nc(C)n1 ZINC000439649209 559998531 /nfs/dbraw/zinc/99/85/31/559998531.db2.gz BQSDMELCGKQWBT-AWEZNQCLSA-N 0 3 372.388 2.083 20 30 FEEDHN CC(C(=O)N[C@H](CCC#N)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000439668313 559998590 /nfs/dbraw/zinc/99/85/90/559998590.db2.gz AVFYHHGDOFONTE-WMLDXEAASA-N 0 3 364.467 2.130 20 30 FEEDHN CC(C)(C)OC(=O)CN[C@]1(C)CCN(CCCC2(C#N)CCOCC2)C1 ZINC000440502048 560012659 /nfs/dbraw/zinc/01/26/59/560012659.db2.gz RCFBJAPXFYGSJR-LJQANCHMSA-N 0 3 365.518 2.483 20 30 FEEDHN COc1cc(CNCCOc2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000440829388 560019120 /nfs/dbraw/zinc/01/91/20/560019120.db2.gz VZTXQADTPGZFOC-UHFFFAOYSA-N 0 3 360.435 2.139 20 30 FEEDHN C=CCN(C(=O)NCCN(C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441316740 560028471 /nfs/dbraw/zinc/02/84/71/560028471.db2.gz UVIXJWSWAHSQBX-OAHLLOKOSA-N 0 3 369.473 2.015 20 30 FEEDHN CN(C)C1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCC1 ZINC000445858608 560135736 /nfs/dbraw/zinc/13/57/36/560135736.db2.gz YEJKSSOGXUYDER-INIZCTEOSA-N 0 3 373.476 2.450 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccnn2[C@@H](C)CC(C)C)CC1 ZINC000446737220 560150860 /nfs/dbraw/zinc/15/08/60/560150860.db2.gz UQTYHVCEDABALX-HNNXBMFYSA-N 0 3 361.490 2.195 20 30 FEEDHN C=CCCCNC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000448029008 560176127 /nfs/dbraw/zinc/17/61/27/560176127.db2.gz FRZOBVKLCWALQA-UHFFFAOYSA-N 0 3 360.502 2.425 20 30 FEEDHN C[C@H](CNC(=O)COc1cccc(Br)c1C#N)N(C)C1CC1 ZINC000449834193 560241839 /nfs/dbraw/zinc/24/18/39/560241839.db2.gz JHJBGWCOZDVJPK-LLVKDONJSA-N 0 3 366.259 2.298 20 30 FEEDHN CCCCO[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C ZINC000450964092 560280212 /nfs/dbraw/zinc/28/02/12/560280212.db2.gz CSTHIIKRYGAEMA-CVEARBPZSA-N 0 3 365.499 2.300 20 30 FEEDHN CC(C)(CC#N)CS(=O)(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 ZINC000451162866 560290604 /nfs/dbraw/zinc/29/06/04/560290604.db2.gz AWBPHBKAMKQOAF-SFHVURJKSA-N 0 3 363.527 2.410 20 30 FEEDHN CC[C@@H]1[C@H](CO)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451253351 560296114 /nfs/dbraw/zinc/29/61/14/560296114.db2.gz JNWGCEWMFDTREN-DOTOQJQBSA-N 0 3 368.399 2.266 20 30 FEEDHN CN(CCC#N)C(=O)CCN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451302997 560298977 /nfs/dbraw/zinc/29/89/77/560298977.db2.gz FXIWSPYADWYYFP-HNNXBMFYSA-N 0 3 357.376 2.481 20 30 FEEDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000451783795 560328219 /nfs/dbraw/zinc/32/82/19/560328219.db2.gz MLPYODAHVTVFPU-SQNIBIBYSA-N 0 3 355.438 2.375 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453448473 560386852 /nfs/dbraw/zinc/38/68/52/560386852.db2.gz CLUYYQUWHSYBFC-DLBZAZTESA-N 0 3 365.522 2.497 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000453614894 560391371 /nfs/dbraw/zinc/39/13/71/560391371.db2.gz PVGSLFRYDCGJCG-OWCLPIDISA-N 0 3 356.470 2.288 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCN1C ZINC000453666038 560394874 /nfs/dbraw/zinc/39/48/74/560394874.db2.gz WBQBKQTZPVOVHB-BBRMVZONSA-N 0 3 372.469 2.273 20 30 FEEDHN C=C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000453681382 560396379 /nfs/dbraw/zinc/39/63/79/560396379.db2.gz UTTTYUXRANGILA-LBPRGKRZSA-N 0 3 365.861 2.442 20 30 FEEDHN CC(C)N(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453745031 560401186 /nfs/dbraw/zinc/40/11/86/560401186.db2.gz GIDPITCCXQDQGZ-LBPRGKRZSA-N 0 3 350.850 2.189 20 30 FEEDHN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CCN(C2CCC2)C1 ZINC000453768150 560402906 /nfs/dbraw/zinc/40/29/06/560402906.db2.gz UFUXNDDRDHHDMV-HNNXBMFYSA-N 0 3 354.454 2.024 20 30 FEEDHN C=C(CC)CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000454037377 560423853 /nfs/dbraw/zinc/42/38/53/560423853.db2.gz UJKIAMDLBDWQDV-UHFFFAOYSA-N 0 3 361.511 2.299 20 30 FEEDHN CN(C)CCOc1cccc(NC(=O)C(=O)Nc2cccc(CC#N)c2)c1 ZINC000454050853 560425009 /nfs/dbraw/zinc/42/50/09/560425009.db2.gz ZYSFLUFWHJIRSV-UHFFFAOYSA-N 0 3 366.421 2.270 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1C#N ZINC000454103528 560429438 /nfs/dbraw/zinc/42/94/38/560429438.db2.gz PMKNXHDSZVPTCG-KRWDZBQOSA-N 0 3 372.469 2.225 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000454455487 560445089 /nfs/dbraw/zinc/44/50/89/560445089.db2.gz CIKJTBWDSCWJOD-MRXNPFEDSA-N 0 3 364.534 2.350 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000454483885 560446414 /nfs/dbraw/zinc/44/64/14/560446414.db2.gz GSGIUERAFFCHGO-UHFFFAOYSA-N 0 3 362.449 2.386 20 30 FEEDHN N#CCc1ccc(NC(=O)NCC2CCN(CCO)CC2)c(Cl)c1 ZINC000455702376 560492408 /nfs/dbraw/zinc/49/24/08/560492408.db2.gz LFWICNUAEJHCRE-UHFFFAOYSA-N 0 3 350.850 2.232 20 30 FEEDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(C)c(C#N)cn1 ZINC000457492122 560570420 /nfs/dbraw/zinc/57/04/20/560570420.db2.gz SZPMDAGHNRHBAA-KRWDZBQOSA-N 0 3 372.469 2.141 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2)C(C)C ZINC000457736989 560584982 /nfs/dbraw/zinc/58/49/82/560584982.db2.gz DMFGSKNSHNEYCW-FGTMMUONSA-N 0 3 362.518 2.090 20 30 FEEDHN N#CCCC[C@H](NC(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000458379319 560618655 /nfs/dbraw/zinc/61/86/55/560618655.db2.gz XVITZJPSGBWVLQ-IBGZPJMESA-N 0 3 358.486 2.425 20 30 FEEDHN Cc1cc(=NC(=O)N(CCN(C)C)Cc2ccsc2)[nH]n1CCC#N ZINC000459469207 560688208 /nfs/dbraw/zinc/68/82/08/560688208.db2.gz CHYWRBDWNGETDR-UHFFFAOYSA-N 0 3 360.487 2.762 20 30 FEEDHN CN(C)CC(C)(C)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000459549992 560693508 /nfs/dbraw/zinc/69/35/08/560693508.db2.gz OCCDOCNJKTVEOL-UHFFFAOYSA-N 0 3 355.404 2.103 20 30 FEEDHN N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000461954023 560789402 /nfs/dbraw/zinc/78/94/02/560789402.db2.gz FKLNRRPYHVSYAA-IEBWSBKVSA-N 0 3 356.470 2.135 20 30 FEEDHN CN1CCN(CCCNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H](c2ccccc2)C1 ZINC000461961465 560789912 /nfs/dbraw/zinc/78/99/12/560789912.db2.gz VASUFVRJIHYORT-ZCNNSNEGSA-N 0 3 369.513 2.357 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000461960238 560789944 /nfs/dbraw/zinc/78/99/44/560789944.db2.gz SXSKLKJVDDREBZ-PKOBYXMFSA-N 0 3 374.485 2.135 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C ZINC000467155405 560905075 /nfs/dbraw/zinc/90/50/75/560905075.db2.gz OIGPZRUKMXWBAX-DGCLKSJQSA-N 0 3 357.426 2.330 20 30 FEEDHN COc1ccc([C@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000470547074 560984323 /nfs/dbraw/zinc/98/43/23/560984323.db2.gz BUICTPZZFYNJRO-ACJLOTCBSA-N 0 3 372.446 2.464 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ncccc2Cl)cc1 ZINC000471055811 560997096 /nfs/dbraw/zinc/99/70/96/560997096.db2.gz HEYQCBKEODKRQF-HNNXBMFYSA-N 0 3 354.797 2.484 20 30 FEEDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000472623555 561031219 /nfs/dbraw/zinc/03/12/19/561031219.db2.gz MARIOJWDJAFLAV-ZWKOTPCHSA-N 0 3 365.499 2.319 20 30 FEEDHN CN1CCC(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000473566139 561052814 /nfs/dbraw/zinc/05/28/14/561052814.db2.gz HBHBAPJBJQWTBU-GOSISDBHSA-N 0 3 360.889 2.391 20 30 FEEDHN N#CC(CCN1C[C@@H](CO)[C@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000528604990 562338106 /nfs/dbraw/zinc/33/81/06/562338106.db2.gz PZUPLZYMCPCJMG-OALUTQOASA-N 0 3 350.462 2.419 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCCN(c2ccccc2)C1=O ZINC000530230187 562403121 /nfs/dbraw/zinc/40/31/21/562403121.db2.gz FDHFHJFTGCHTQD-RTBURBONSA-N 0 3 365.433 2.083 20 30 FEEDHN CC(C)C[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(=O)NCCN(C)C ZINC000533985029 562522975 /nfs/dbraw/zinc/52/29/75/562522975.db2.gz JQIQSZGUUXUMOC-YJBOKZPZSA-N 0 3 373.501 2.011 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1N(C)C ZINC000534951977 562546046 /nfs/dbraw/zinc/54/60/46/562546046.db2.gz PPOMYQQNWRFEAN-CABCVRRESA-N 0 3 352.891 2.128 20 30 FEEDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncc(C#N)cc1Cl ZINC000535230417 562553650 /nfs/dbraw/zinc/55/36/50/562553650.db2.gz VZNNSRXUJITABM-KRWDZBQOSA-N 0 3 371.872 2.308 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N(C)[C@H]3CCC[C@H]3C#N)ccc2[nH]c1=O ZINC000602196606 567950131 /nfs/dbraw/zinc/95/01/31/567950131.db2.gz PKUOOPYTGLFMAG-HOCLYGCPSA-N 0 3 355.442 2.068 20 30 FEEDHN C[C@@H](CCC#N)CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000602469601 567980416 /nfs/dbraw/zinc/98/04/16/567980416.db2.gz VCHCDSFUSNTNIF-LBPRGKRZSA-N 0 3 355.426 2.215 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602543499 567989893 /nfs/dbraw/zinc/98/98/93/567989893.db2.gz BPUDEICYKOPASJ-KGLIPLIRSA-N 0 3 366.824 2.112 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000602538550 567992640 /nfs/dbraw/zinc/99/26/40/567992640.db2.gz NFLAOSGMYMRJGB-DLBZAZTESA-N 0 3 364.877 2.073 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000602538553 567992642 /nfs/dbraw/zinc/99/26/42/567992642.db2.gz NFLAOSGMYMRJGB-IRXDYDNUSA-N 0 3 364.877 2.073 20 30 FEEDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602572249 567996194 /nfs/dbraw/zinc/99/61/94/567996194.db2.gz DJLCZWXEMYWCRJ-UEXGIBASSA-N 0 3 353.466 2.170 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852598 568001668 /nfs/dbraw/zinc/00/16/68/568001668.db2.gz DCDZXKHTAJWQQI-ZVDOUQERSA-N 0 3 356.514 2.196 20 30 FEEDHN COc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1OCC(N)=O ZINC000568334123 568026012 /nfs/dbraw/zinc/02/60/12/568026012.db2.gz POMARACQWCDCGM-KRWDZBQOSA-N 0 3 351.406 2.208 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(C(F)(F)F)C2)cc1 ZINC000602990493 568038753 /nfs/dbraw/zinc/03/87/53/568038753.db2.gz WUDICPYMRWZVPR-SECBINFHSA-N 0 3 361.345 2.398 20 30 FEEDHN CN(CCOCc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000568557179 568051269 /nfs/dbraw/zinc/05/12/69/568051269.db2.gz DSYUAGCKMZXLEZ-HXUWFJFHSA-N 0 3 365.433 2.318 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137393 598559300 /nfs/dbraw/zinc/55/93/00/598559300.db2.gz XDUXCGOIUKRAQU-LLVKDONJSA-N 0 3 367.438 2.479 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137393 598559301 /nfs/dbraw/zinc/55/93/01/598559301.db2.gz XDUXCGOIUKRAQU-LLVKDONJSA-N 0 3 367.438 2.479 20 30 FEEDHN Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000558493959 674500053 /nfs/dbraw/zinc/50/00/53/674500053.db2.gz ODGRMSCWSYPKQU-LJQANCHMSA-N 0 3 355.463 2.422 20 30 FEEDHN C#C[C@@H](NC(=O)NC[C@@H](C)CN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811890651 674636124 /nfs/dbraw/zinc/63/61/24/674636124.db2.gz XFJFLBXKHGAHOJ-CRAIPNDOSA-N 0 3 362.905 2.197 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCNC(=O)CC1 ZINC000815908663 674983794 /nfs/dbraw/zinc/98/37/94/674983794.db2.gz HCQFMMWPMTUNOR-ONGXEEELSA-N 0 3 351.765 2.043 20 30 FEEDHN Cc1nnc(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)n1N ZINC000110134515 670847578 /nfs/dbraw/zinc/84/75/78/670847578.db2.gz DJSFCMCYPDGBDD-LBPRGKRZSA-N 0 3 370.463 2.392 20 30 FEEDHN O=C(NCCNCc1ccc(Br)cc1)C1N=CC=CC1=O ZINC000113361164 670883906 /nfs/dbraw/zinc/88/39/06/670883906.db2.gz GICKFHJWQVLMKK-PFONDFGASA-N 0 3 350.216 2.065 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000573528616 671133554 /nfs/dbraw/zinc/13/35/54/671133554.db2.gz DEJIWLMTXPVVDH-RCBQFDQVSA-N 0 3 364.877 2.075 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCO[C@@H](CF)C1)CCC2 ZINC000573781182 671163747 /nfs/dbraw/zinc/16/37/47/671163747.db2.gz JLPCWFLRZGORDJ-LBPRGKRZSA-N 0 3 351.447 2.497 20 30 FEEDHN N#Cc1c(NC(=O)CCN(CC(N)=O)C2CCCC2)sc2c1CCC2 ZINC000609144051 675911815 /nfs/dbraw/zinc/91/18/15/675911815.db2.gz IWODRCAAQWOFOI-UHFFFAOYSA-N 0 3 360.483 2.167 20 30 FEEDHN CO[C@@H]1COC[C@@H]1NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000578162380 671645565 /nfs/dbraw/zinc/64/55/65/671645565.db2.gz WHKRRQZXLPEXRC-LSDHHAIUSA-N 0 3 363.483 2.221 20 30 FEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000578524661 671671562 /nfs/dbraw/zinc/67/15/62/671671562.db2.gz NHRPRKGPBDSQBN-ZDUSSCGKSA-N 0 3 362.861 2.387 20 30 FEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000580725923 671827493 /nfs/dbraw/zinc/82/74/93/671827493.db2.gz GRBBSMMXQJHTSH-CYBMUJFWSA-N 0 3 362.861 2.387 20 30 FEEDHN N#CCC[C@@H](C#N)CNC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000581095814 671863108 /nfs/dbraw/zinc/86/31/08/671863108.db2.gz DJUUKLAVYYUPOY-KRWDZBQOSA-N 0 3 360.483 2.014 20 30 FEEDHN CC(C)c1noc(CCCNCCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000581186258 671871405 /nfs/dbraw/zinc/87/14/05/671871405.db2.gz OAGLOPURVROLQS-UHFFFAOYSA-N 0 3 362.455 2.061 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccs2)n1 ZINC000125130232 672007310 /nfs/dbraw/zinc/00/73/10/672007310.db2.gz YRVPPKIGOORLDX-GFCCVEGCSA-N 0 3 363.464 2.276 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000125151040 672007725 /nfs/dbraw/zinc/00/77/25/672007725.db2.gz XWXKJFWKRFWGGO-NSHDSACASA-N 0 3 359.209 2.234 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCOc2ccc(Br)cc21 ZINC000591240863 672660838 /nfs/dbraw/zinc/66/08/38/672660838.db2.gz SDAJWHJMZZDDOW-ZFWWWQNUSA-N 0 3 368.275 2.069 20 30 FEEDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1c(C#N)cnc2c(Cl)cccc21 ZINC000591984337 672729091 /nfs/dbraw/zinc/72/90/91/672729091.db2.gz DZPMMHRSALQEIO-LBPRGKRZSA-N 0 3 357.845 2.316 20 30 FEEDHN O=C(NCCNCc1cc(Br)cs1)C1N=CC=CC1=O ZINC000255068533 672883637 /nfs/dbraw/zinc/88/36/37/672883637.db2.gz JOMNCCZUAFWZHM-OUKQBFOZSA-N 0 3 356.245 2.127 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594325722 673058649 /nfs/dbraw/zinc/05/86/49/673058649.db2.gz ITEHOFJXXVESPS-GOEBONIOSA-N 0 3 360.845 2.283 20 30 FEEDHN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594430329 673070707 /nfs/dbraw/zinc/07/07/07/673070707.db2.gz ZOFWARFODLAOPU-BBRMVZONSA-N 0 3 351.472 2.021 20 30 FEEDHN Cc1ccc(CNC(=O)[C@@H](N)CCCCC#N)c(-n2cc(Cl)cn2)n1 ZINC000594445312 673072934 /nfs/dbraw/zinc/07/29/34/673072934.db2.gz JHTWZSXBCYNNCN-HNNXBMFYSA-N 0 3 360.849 2.257 20 30 FEEDHN CC(C)C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(=O)Nc1nccs1 ZINC000594447161 673073406 /nfs/dbraw/zinc/07/34/06/673073406.db2.gz UKSPXSDZZHEAIT-QWHCGFSZSA-N 0 3 351.476 2.024 20 30 FEEDHN C[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1cncc(F)c1 ZINC000330231919 673087546 /nfs/dbraw/zinc/08/75/46/673087546.db2.gz RGCNGEKFMXYRQQ-ZIAGYGMSSA-N 0 3 350.438 2.381 20 30 FEEDHN COC(=O)[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000728928046 673215591 /nfs/dbraw/zinc/21/55/91/673215591.db2.gz KXUCYIWJLIKLIY-STQMWFEESA-N 0 3 357.435 2.358 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000729888645 673251681 /nfs/dbraw/zinc/25/16/81/673251681.db2.gz MHTBRVONGSPTDM-SNVBAGLBSA-N 0 3 352.316 2.289 20 30 FEEDHN N#CC(C(=O)Cn1c2ccccc2nc1C(F)(F)F)C(=O)NC1CC1 ZINC000729889796 673252183 /nfs/dbraw/zinc/25/21/83/673252183.db2.gz SSKKJZZBEUIDCZ-SNVBAGLBSA-N 0 3 350.300 2.043 20 30 FEEDHN N#CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2s1 ZINC000730110951 673262678 /nfs/dbraw/zinc/26/26/78/673262678.db2.gz ZQBAGDCHURCDPQ-LBPRGKRZSA-N 0 3 372.431 2.190 20 30 FEEDHN N#C[C@@H](c1cccc(Cl)c1)N1CCN(CCN2CCCOCC2)CC1 ZINC000463211478 673300782 /nfs/dbraw/zinc/30/07/82/673300782.db2.gz FSNLYZMETXUYHP-IBGZPJMESA-N 0 3 362.905 2.245 20 30 FEEDHN Cn1cc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c(=O)[nH]c1=O ZINC000613407098 676127535 /nfs/dbraw/zinc/12/75/35/676127535.db2.gz IUTKSPSPHZGIRX-QMMMGPOBSA-N 0 3 360.782 2.239 20 30 FEEDHN C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc([S@](C)=O)cc1 ZINC000599353151 673662778 /nfs/dbraw/zinc/66/27/78/673662778.db2.gz GAAHKBFLNJRJOQ-AXUAAXHCSA-N 0 3 358.463 2.386 20 30 FEEDHN N#Cc1ccc(Cl)cc1NC(=O)Cn1cc(CNC2CCCC2)nn1 ZINC000603159853 673918245 /nfs/dbraw/zinc/91/82/45/673918245.db2.gz AANHRNXARQOFKT-UHFFFAOYSA-N 0 3 358.833 2.474 20 30 FEEDHN N#Cc1cc(N2CCN(CC3CCOCC3)CC2)ncc1Br ZINC000603290505 673922662 /nfs/dbraw/zinc/92/26/62/673922662.db2.gz ASOVYUPTYJZTLE-UHFFFAOYSA-N 0 3 365.275 2.264 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000818603036 675227898 /nfs/dbraw/zinc/22/78/98/675227898.db2.gz LYGROWNRLNKBLO-UHFFFAOYSA-N 0 3 368.231 2.351 20 30 FEEDHN CC[S@](=O)[C@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000566791634 675243142 /nfs/dbraw/zinc/24/31/42/675243142.db2.gz CRRRDKGEAVIKHP-SYJLOODJSA-N 0 3 368.524 2.001 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCN(C)C1=O ZINC000641433132 677205950 /nfs/dbraw/zinc/20/59/50/677205950.db2.gz KLGAEFWKXPTJEV-OAHLLOKOSA-N 0 3 363.531 2.063 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@H](C)n2cc(Br)cn2)CC1 ZINC000648773278 677320260 /nfs/dbraw/zinc/32/02/60/677320260.db2.gz ANCDQGRKAUQJQU-GFCCVEGCSA-N 0 3 355.280 2.363 20 30 FEEDHN C=CCC[C@@H](O)CN(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 ZINC000649745840 677336685 /nfs/dbraw/zinc/33/66/85/677336685.db2.gz AUTSCMNRCZCZOT-QGZVFWFLSA-N 0 3 352.500 2.242 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000839609067 680765895 /nfs/dbraw/zinc/76/58/95/680765895.db2.gz CDKOZGLQVGCWGV-OAGGEKHMSA-N 0 3 351.491 2.256 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(OC)c(Br)cn2)CC1 ZINC000763224487 680776672 /nfs/dbraw/zinc/77/66/72/680776672.db2.gz KJBOUAAVQDKUID-UHFFFAOYSA-N 0 3 352.232 2.136 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC(F)(F)CC1)C(C)C ZINC000671082046 679309765 /nfs/dbraw/zinc/30/97/65/679309765.db2.gz ONSUHVVSQASMPX-HNNXBMFYSA-N 0 3 357.445 2.059 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(CCc2scnc2C)CC1(C)C ZINC000975055280 680009230 /nfs/dbraw/zinc/00/92/30/680009230.db2.gz KGGOAUQLRDTNMU-VYDXJSESSA-N 0 3 363.527 2.412 20 30 FEEDHN C[C@H](O)CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(F)F ZINC000832203907 680110121 /nfs/dbraw/zinc/11/01/21/680110121.db2.gz CZZXKDJZAZVFHH-QWRGUYRKSA-N 0 3 353.394 2.420 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC000993071035 680146327 /nfs/dbraw/zinc/14/63/27/680146327.db2.gz GDZGJJCHGQGLIB-QMTMVMCOSA-N 0 3 369.937 2.412 20 30 FEEDHN CCC(C#N)C(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC000832650332 680160076 /nfs/dbraw/zinc/16/00/76/680160076.db2.gz KTPDFBDUMCBOSK-DGCLKSJQSA-N 0 3 358.316 2.335 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(CCC[C@H]2CCOC2)CC1 ZINC000982173678 680272548 /nfs/dbraw/zinc/27/25/48/680272548.db2.gz PBIVWCBIVAPPOT-FHWLQOOXSA-N 0 3 350.503 2.319 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NCc2c(C)nn(C)c2Cl)CC1 ZINC000997012965 680345459 /nfs/dbraw/zinc/34/54/59/680345459.db2.gz YCNOLAVREVGNEV-ZBFHGGJFSA-N 0 3 366.893 2.054 20 30 FEEDHN CCN(CC)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1ccco1 ZINC000754990733 680392807 /nfs/dbraw/zinc/39/28/07/680392807.db2.gz OYRCJQHHLJAYNL-HNNXBMFYSA-N 0 3 362.455 2.294 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000836258578 680442285 /nfs/dbraw/zinc/44/22/85/680442285.db2.gz RHRFFPNMRXXCGL-MRXNPFEDSA-N 0 3 362.905 2.421 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(F)cc1Br ZINC000836304652 680448011 /nfs/dbraw/zinc/44/80/11/680448011.db2.gz PGHQCWYKNYUYEK-UHFFFAOYSA-N 0 3 356.239 2.343 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(CCc2csc(C)n2)CC1 ZINC001001851649 680478550 /nfs/dbraw/zinc/47/85/50/680478550.db2.gz OINGLJBOBLNUGX-MSOLQXFVSA-N 0 3 363.527 2.413 20 30 FEEDHN CC[C@@H](C(=O)N1CC[C@H]2CN(c3nc(Cl)c(C#N)s3)C[C@H]21)N(C)C ZINC001040671493 680482500 /nfs/dbraw/zinc/48/25/00/680482500.db2.gz SUZXQXPIYKAEBN-SDDRHHMPSA-N 0 3 367.906 2.045 20 30 FEEDHN CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2C#N)C1 ZINC001043219912 680567068 /nfs/dbraw/zinc/56/70/68/680567068.db2.gz WTEXSWWCTLRZNZ-DAXOMENPSA-N 0 3 361.515 2.456 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043359091 680577434 /nfs/dbraw/zinc/57/74/34/680577434.db2.gz REQUQEGFZIJRCT-WQAKAFBOSA-N 0 3 367.906 2.267 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043512368 680584964 /nfs/dbraw/zinc/58/49/64/680584964.db2.gz NQGORRKZEQPGAK-IJLUTSLNSA-N 0 3 367.906 2.411 20 30 FEEDHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043585004 680589722 /nfs/dbraw/zinc/58/97/22/680589722.db2.gz HUOWJWRGVGTHPK-ZWNOBZJWSA-N 0 3 367.906 2.411 20 30 FEEDHN COC(=O)c1cncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000760197362 680679558 /nfs/dbraw/zinc/67/95/58/680679558.db2.gz JLWZZYOUPJDEKA-CQSZACIVSA-N 0 3 357.753 2.483 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CNC[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084045 680986599 /nfs/dbraw/zinc/98/65/99/680986599.db2.gz MPPKSSANHPUXIV-SUMWQHHRSA-N 0 3 364.804 2.414 20 30 FEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC[C@@H]2C1 ZINC000946694401 681253590 /nfs/dbraw/zinc/25/35/90/681253590.db2.gz VJUUVHXWLRSDCV-YYIAUSFCSA-N 0 3 362.905 2.447 20 30 FEEDHN C#CCN1CCN(C(=O)CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)CC1 ZINC000776026564 681357260 /nfs/dbraw/zinc/35/72/60/681357260.db2.gz OQJWFPRRUWGZOA-XFQXTVEOSA-N 0 3 359.901 2.404 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000847620481 681406812 /nfs/dbraw/zinc/40/68/12/681406812.db2.gz AMTGABOGVIMMPZ-ZBFHGGJFSA-N 0 3 350.802 2.163 20 30 FEEDHN CS(=O)(=O)N1CCC(CC(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000847627799 681407887 /nfs/dbraw/zinc/40/78/87/681407887.db2.gz BQFPVZSUPHCBBS-ZDUSSCGKSA-N 0 3 361.423 2.066 20 30 FEEDHN C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@H](C)N2CCCCC2)c1 ZINC000847958810 681455720 /nfs/dbraw/zinc/45/57/20/681455720.db2.gz NOFCTSIEQYHNPK-HNNXBMFYSA-N 0 3 366.483 2.182 20 30 FEEDHN N#CC(C(=O)C[C@H](n1cccn1)C(F)(F)F)C(=O)Nc1ccccn1 ZINC000850783048 681958626 /nfs/dbraw/zinc/95/86/26/681958626.db2.gz VFKFSIWFSUVNTD-JQWIXIFHSA-N 0 3 351.288 2.119 20 30 FEEDHN C[C@H](CC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000850977563 681992084 /nfs/dbraw/zinc/99/20/84/681992084.db2.gz YSBCMMRVYHMGTF-ZLENFMNRSA-N 0 3 350.365 2.495 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000783536292 682150900 /nfs/dbraw/zinc/15/09/00/682150900.db2.gz KLFCZBSBKDDSIC-GJZGRUSLSA-N 0 3 360.520 2.355 20 30 FEEDHN C=CCN1CCC(NC(=O)NCC(=O)OCc2ccc(Cl)cc2)CC1 ZINC000784328328 682216859 /nfs/dbraw/zinc/21/68/59/682216859.db2.gz IGYYHUDOYBZUOE-UHFFFAOYSA-N 0 3 365.861 2.333 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)CC1 ZINC000917097653 685529627 /nfs/dbraw/zinc/52/96/27/685529627.db2.gz DXJXJDYVUBFNHP-INIZCTEOSA-N 0 3 350.507 2.116 20 30 FEEDHN CN(C)[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1cccc(F)c1 ZINC000784555077 682237529 /nfs/dbraw/zinc/23/75/29/682237529.db2.gz KGTZOAMTEBEYAD-MRXNPFEDSA-N 0 3 362.430 2.060 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1CN(CCOC2CCC2)C1 ZINC000970560684 682307598 /nfs/dbraw/zinc/30/75/98/682307598.db2.gz OWMRHQBZTGPVOW-SNRMKQJTSA-N 0 3 350.503 2.363 20 30 FEEDHN COC(=O)NC1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000852768303 682340666 /nfs/dbraw/zinc/34/06/66/682340666.db2.gz QVBMNFPVPPDRKI-UHFFFAOYSA-N 0 3 364.833 2.361 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000786928109 682419890 /nfs/dbraw/zinc/41/98/90/682419890.db2.gz BFHHPMKDDUWHQV-NHCYSSNCSA-N 0 3 365.792 2.418 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000856177377 682750418 /nfs/dbraw/zinc/75/04/18/682750418.db2.gz NPUJLNRHINEVPT-HNNXBMFYSA-N 0 3 355.265 2.488 20 30 FEEDHN COc1ccc(CNCC2(S(=O)(=O)NC(C)(C)C)CCC2)cc1C#N ZINC000922474478 683730577 /nfs/dbraw/zinc/73/05/77/683730577.db2.gz OLOYWUZZTKNGLK-UHFFFAOYSA-N 0 3 365.499 2.297 20 30 FEEDHN C#CCN(C(=O)N[C@@H](C)[C@@H]1OCCc2sccc21)C1CCN(C)CC1 ZINC000922596535 683751524 /nfs/dbraw/zinc/75/15/24/683751524.db2.gz KGQNRZYRFSSCEN-KSSFIOAISA-N 0 3 361.511 2.489 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000922628583 683758210 /nfs/dbraw/zinc/75/82/10/683758210.db2.gz FQMSSARSPFIZOB-UHFFFAOYSA-N 0 3 360.527 2.476 20 30 FEEDHN FC1(F)[C@H]2CN(C[C@H]3CNCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530821 684299813 /nfs/dbraw/zinc/29/98/13/684299813.db2.gz KERCIRBABOSFPM-HLTSFMKQSA-N 0 3 368.268 2.078 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000868582120 684513941 /nfs/dbraw/zinc/51/39/41/684513941.db2.gz SKPFPVPWSYQIHQ-WKILWMFISA-N 0 3 351.491 2.141 20 30 FEEDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(C#N)CCCCC1 ZINC000869276695 684599774 /nfs/dbraw/zinc/59/97/74/684599774.db2.gz GLPBYAWQVKXLMY-AWEZNQCLSA-N 0 3 352.479 2.032 20 30 FEEDHN CN1Cc2ccccc2[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000872235529 684930060 /nfs/dbraw/zinc/93/00/60/684930060.db2.gz ILDNXDUQEHLKSG-LJQANCHMSA-N 0 3 355.463 2.108 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C ZINC000876599944 686226643 /nfs/dbraw/zinc/22/66/43/686226643.db2.gz AWSRCVJICYACIX-CQSZACIVSA-N 0 3 373.906 2.432 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000876620009 686229793 /nfs/dbraw/zinc/22/97/93/686229793.db2.gz IREQZIQEKNCJTQ-CZUORRHYSA-N 0 3 351.878 2.484 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000876628476 686231616 /nfs/dbraw/zinc/23/16/16/686231616.db2.gz JYPMKWXLPGDFHB-OAHLLOKOSA-N 0 3 369.918 2.115 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000876650617 686236655 /nfs/dbraw/zinc/23/66/55/686236655.db2.gz WCYYPIBETNHCLX-QGZVFWFLSA-N 0 3 363.889 2.054 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(I)c(C)n1 ZINC000876854496 686282350 /nfs/dbraw/zinc/28/23/50/686282350.db2.gz HXGZBFGXAWDMFS-SECBINFHSA-N 0 3 365.602 2.403 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000876892247 686288257 /nfs/dbraw/zinc/28/82/57/686288257.db2.gz INKWFDZRBRGQII-LLVKDONJSA-N 0 3 351.756 2.151 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877194327 686338697 /nfs/dbraw/zinc/33/86/97/686338697.db2.gz IGGFKHVZEUIGAP-KBPBESRZSA-N 0 3 358.504 2.013 20 30 FEEDHN COCCOc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1Cl ZINC000884096859 687788300 /nfs/dbraw/zinc/78/83/00/687788300.db2.gz KSWYMWIKONCPOG-XYEKJYRLSA-N 0 3 363.845 2.443 20 30 FEEDHN C#CCN(C(=O)Cc1ccc(OC)c(OC)c1Cl)C1CCN(C)CC1 ZINC000886574683 688278100 /nfs/dbraw/zinc/27/81/00/688278100.db2.gz OSYUQYCCYGQBOA-UHFFFAOYSA-N 0 3 364.873 2.456 20 30 FEEDHN Cc1c(C(=O)NCC2(N3CCSCC3)CCCC2)cnn1CCC#N ZINC000888167157 688557457 /nfs/dbraw/zinc/55/74/57/688557457.db2.gz GANNZHNDYWJILT-UHFFFAOYSA-N 0 3 361.515 2.197 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000892463875 689199866 /nfs/dbraw/zinc/19/98/66/689199866.db2.gz VCKWHNRANFLBHI-CVEARBPZSA-N 0 3 350.459 2.366 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000892463878 689199894 /nfs/dbraw/zinc/19/98/94/689199894.db2.gz VCKWHNRANFLBHI-JKSUJKDBSA-N 0 3 350.459 2.366 20 30 FEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2c3c(nn2C)CCCC3)n1 ZINC000892624574 689219714 /nfs/dbraw/zinc/21/97/14/689219714.db2.gz PWDMHGOMTSZOTM-LLVKDONJSA-N 0 3 358.423 2.422 20 30 FEEDHN COC(=O)[C@@H]1[C@H](CNC2(c3cccc(C#N)c3)CCOCC2)C1(F)F ZINC000895277033 689689080 /nfs/dbraw/zinc/68/90/80/689689080.db2.gz BPSIHKHXFCCACT-GJZGRUSLSA-N 0 3 350.365 2.208 20 30 FEEDHN C=CCOc1ccc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)cc1Cl ZINC000897040419 689966581 /nfs/dbraw/zinc/96/65/81/689966581.db2.gz HZKRTGUEVGKZCG-OAHLLOKOSA-N 0 3 364.873 2.368 20 30 FEEDHN CC1(C)CCNCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903516370 690907272 /nfs/dbraw/zinc/90/72/72/690907272.db2.gz LXWZJESCJTXPBF-UHFFFAOYSA-N 0 3 372.288 2.083 20 30 FEEDHN C=C(C)C[C@H](CO)NCCS(=O)(=O)c1cccc(Br)c1 ZINC000905451295 691120104 /nfs/dbraw/zinc/12/01/04/691120104.db2.gz JYUFQRMGDTUGGL-CYBMUJFWSA-N 0 3 362.289 2.140 20 30 FEEDHN CN1CC[C@]2(CCN(S(=O)(=O)c3c(C#N)sc4ccccc43)C2)C1 ZINC000907199398 691421101 /nfs/dbraw/zinc/42/11/01/691421101.db2.gz XVVGLODKLRIYEP-KRWDZBQOSA-N 0 3 361.492 2.489 20 30 FEEDHN Cc1cnc(N2CCc3ncc(CN4CCCC4)n3CC2)c(C=NO)c1 ZINC001164736931 720576081 /nfs/dbraw/zinc/57/60/81/720576081.db2.gz WAKFSBJESFPZLH-UHFFFAOYSA-N 0 3 354.458 2.053 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164766561 721069135 /nfs/dbraw/zinc/06/91/35/721069135.db2.gz KUGYLIRIJBNNLI-JKSUJKDBSA-N 0 3 356.861 2.298 20 30 FEEDHN Cc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c(C=NO)c1 ZINC001164877039 721124214 /nfs/dbraw/zinc/12/42/14/721124214.db2.gz OFEXVUDMUYUOPJ-RBUKOAKNSA-N 0 3 367.453 2.073 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@H]3C2)cn1 ZINC001164771485 721187944 /nfs/dbraw/zinc/18/79/44/721187944.db2.gz QLHHQIYLPBVFJL-JKSUJKDBSA-N 0 3 361.453 2.126 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@H]3C2)cn1 ZINC001164762662 721199237 /nfs/dbraw/zinc/19/92/37/721199237.db2.gz DCBDZOJLMBGMJK-PKOBYXMFSA-N 0 3 362.481 2.134 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@H]3C2)cn1 ZINC001164762655 721200954 /nfs/dbraw/zinc/20/09/54/721200954.db2.gz DCBDZOJLMBGMJK-IEBWSBKVSA-N 0 3 362.481 2.134 20 30 FEEDHN CN(C)CCOc1ccc(CNC(=O)NCC#Cc2ccccc2)cc1 ZINC000045431633 540213440 /nfs/dbraw/zinc/21/34/40/540213440.db2.gz NYGZBALYRLHGMV-UHFFFAOYSA-N 0 3 351.450 2.478 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812544 540229381 /nfs/dbraw/zinc/22/93/81/540229381.db2.gz UIYDVZUVROHJHS-CHWSQXEVSA-N 0 3 358.442 2.086 20 30 FEEDHN N#Cc1ccc(OCCN2CCC(C(=O)Nc3cnccn3)CC2)cc1 ZINC000047630146 540321198 /nfs/dbraw/zinc/32/11/98/540321198.db2.gz AYQVKLKKCAQFFM-UHFFFAOYSA-N 0 3 351.410 2.078 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C1CCCCC1)N(C)C ZINC000057665779 540806312 /nfs/dbraw/zinc/80/63/12/540806312.db2.gz PCPCWAZYWBPXNB-GOSISDBHSA-N 0 3 356.470 2.432 20 30 FEEDHN C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)N1CCC(C)CC1 ZINC000066241319 541294705 /nfs/dbraw/zinc/29/47/05/541294705.db2.gz FMEGFUFZNUPKDJ-OAHLLOKOSA-N 0 3 366.469 2.176 20 30 FEEDHN N#Cc1ccc(N2CCC(NCc3cnc(N4CCCC4)nc3)CC2)nc1 ZINC000067011128 541405874 /nfs/dbraw/zinc/40/58/74/541405874.db2.gz BROFOQDRLLOLRD-UHFFFAOYSA-N 0 3 363.469 2.102 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(N)=O)cc1 ZINC000068310430 541575040 /nfs/dbraw/zinc/57/50/40/541575040.db2.gz RMRGGPOTGHTOQR-UHFFFAOYSA-N 0 3 365.437 2.253 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(N(C)C)c1 ZINC000068310126 541575491 /nfs/dbraw/zinc/57/54/91/541575491.db2.gz CNGCJPCNMPHLPS-UHFFFAOYSA-N 0 3 351.454 2.223 20 30 FEEDHN N#CCOc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000073312205 541943014 /nfs/dbraw/zinc/94/30/14/541943014.db2.gz JWWLVABZHMSWRM-UHFFFAOYSA-N 0 3 357.454 2.240 20 30 FEEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)C[C@H](O)COCc1ccccc1 ZINC000074289320 542063794 /nfs/dbraw/zinc/06/37/94/542063794.db2.gz JGAFGQFKSILDDE-FQEVSTJZSA-N 0 3 367.449 2.396 20 30 FEEDHN Cc1ccn2ncc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2n1 ZINC000074475646 542087148 /nfs/dbraw/zinc/08/71/48/542087148.db2.gz RFRJBLZRBZGYMO-UHFFFAOYSA-N 0 3 362.437 2.113 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(CC2CCOCC2)CC1 ZINC000077176304 542351046 /nfs/dbraw/zinc/35/10/46/542351046.db2.gz ZNMCWZYAYIDOHA-NRFANRHFSA-N 0 3 374.525 2.199 20 30 FEEDHN COCCCN1CCCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000079460455 542520787 /nfs/dbraw/zinc/52/07/87/542520787.db2.gz OREZTUJBMYSXNO-UHFFFAOYSA-N 0 3 364.515 2.219 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000081366534 542651258 /nfs/dbraw/zinc/65/12/58/542651258.db2.gz PNCSKAGKQCRMEK-CABCVRRESA-N 0 3 374.510 2.287 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)CC1 ZINC000106039136 543186792 /nfs/dbraw/zinc/18/67/92/543186792.db2.gz BEEFOGKFCISRFT-INIZCTEOSA-N 0 3 359.470 2.458 20 30 FEEDHN CC1CCN([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)c2ccccc2)CC1 ZINC000106334401 543224063 /nfs/dbraw/zinc/22/40/63/543224063.db2.gz OHLITNYIWHTRMY-MOPGFXCFSA-N 0 3 356.470 2.394 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3ccccc3O)CC2)CC1 ZINC000106341315 543224773 /nfs/dbraw/zinc/22/47/73/543224773.db2.gz GUUKZNXLVDXOHM-UHFFFAOYSA-N 0 3 358.486 2.264 20 30 FEEDHN N#CC1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCOCC1 ZINC000109141253 543315876 /nfs/dbraw/zinc/31/58/76/543315876.db2.gz MEHSVJVWNZLRQS-UHFFFAOYSA-N 0 3 368.481 2.477 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000111885952 543423026 /nfs/dbraw/zinc/42/30/26/543423026.db2.gz GBAMEQTXQCNUGB-GOSISDBHSA-N 0 3 361.486 2.143 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000114587394 543524765 /nfs/dbraw/zinc/52/47/65/543524765.db2.gz PWVZQKLQHQLJRN-AZUAARDMSA-N 0 3 369.513 2.138 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000118100867 543644265 /nfs/dbraw/zinc/64/42/65/543644265.db2.gz ICSFLRSNPMUGLJ-CZUORRHYSA-N 0 3 374.510 2.476 20 30 FEEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)C1CC1 ZINC000118101586 543644490 /nfs/dbraw/zinc/64/44/90/543644490.db2.gz YWCRZSBWPHSSFF-HNNXBMFYSA-N 0 3 360.483 2.087 20 30 FEEDHN C=CCCOCCNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000121198667 543690632 /nfs/dbraw/zinc/69/06/32/543690632.db2.gz HWWWZZIVOKOBAJ-UHFFFAOYSA-N 0 3 361.486 2.035 20 30 FEEDHN CN1c2ccccc2N(C)C1=C1C(=N)N(C2CCN(C3CC3)CC2)CC1=O ZINC000119260371 543665751 /nfs/dbraw/zinc/66/57/51/543665751.db2.gz IDSYGKQHPIMXJO-UHFFFAOYSA-N 0 3 365.481 2.273 20 30 FEEDHN N#Cc1ccc(CN2CCCN(C(=O)[C@H](C3CC3)N3CCCC3)CC2)cc1 ZINC000123055474 543740323 /nfs/dbraw/zinc/74/03/23/543740323.db2.gz ZEXQOSXGNKGGOM-NRFANRHFSA-N 0 3 366.509 2.467 20 30 FEEDHN N#Cc1ccc2ncc(CNCCCNC(=O)c3ccc(F)cc3)n2c1 ZINC000123711740 543778645 /nfs/dbraw/zinc/77/86/45/543778645.db2.gz DMHKSHRHKIRONL-UHFFFAOYSA-N 0 3 351.385 2.255 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3oc(CC)nc3c2)CC1 ZINC000124543969 543828439 /nfs/dbraw/zinc/82/84/39/543828439.db2.gz LQJLCQJQXVSXMH-UHFFFAOYSA-N 0 3 370.453 2.485 20 30 FEEDHN CCN(C)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000126365951 543932374 /nfs/dbraw/zinc/93/23/74/543932374.db2.gz DYDQCGBQNNTDME-UHFFFAOYSA-N 0 3 366.421 2.357 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1c1nncn1C)C(C)C ZINC000130077207 544137962 /nfs/dbraw/zinc/13/79/62/544137962.db2.gz CXOCIXTYAUYOMU-IAGOWNOFSA-N 0 3 360.506 2.360 20 30 FEEDHN N#CCCN(C(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000131166497 544179279 /nfs/dbraw/zinc/17/92/79/544179279.db2.gz MAXWHDSRQWULPR-JKSUJKDBSA-N 0 3 362.861 2.220 20 30 FEEDHN CC(C)(C)N(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(N)=O ZINC000133996892 544290791 /nfs/dbraw/zinc/29/07/91/544290791.db2.gz OMTSFKRVDVPIOA-UHFFFAOYSA-N 0 3 362.499 2.413 20 30 FEEDHN C=CCc1ccc(OCC(=O)NC2CCN(CCOC)CC2)c(OC)c1 ZINC000141536418 544413399 /nfs/dbraw/zinc/41/33/99/544413399.db2.gz KLODGZTUUHFKHP-UHFFFAOYSA-N 0 3 362.470 2.030 20 30 FEEDHN CC[C@@H]1CCCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000150737439 544466056 /nfs/dbraw/zinc/46/60/56/544466056.db2.gz ZRJLXLUYFSELRT-MRXNPFEDSA-N 0 3 359.474 2.158 20 30 FEEDHN C=C(C)COc1cc(CN[C@H]2CCc3nc(COC)nn3C2)ccc1OC ZINC000151520906 544551960 /nfs/dbraw/zinc/55/19/60/544551960.db2.gz QNUSNKOTNAWKDN-INIZCTEOSA-N 0 3 372.469 2.493 20 30 FEEDHN C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)CN1Cc1ccccc1 ZINC000152001416 544603999 /nfs/dbraw/zinc/60/39/99/544603999.db2.gz PJPRNBVXXODUSS-NVXWUHKLSA-N 0 3 370.478 2.142 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(-n2cccn2)c1 ZINC000152128875 544615817 /nfs/dbraw/zinc/61/58/17/544615817.db2.gz KMNHUXIJMQIISA-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN Cc1ccc(C)c(NC(=O)[C@H](C)N(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000153320302 544760009 /nfs/dbraw/zinc/76/00/09/544760009.db2.gz JSXDDRZCKOUKQT-AWEZNQCLSA-N 0 3 354.458 2.372 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000189400315 328145465 /nfs/dbraw/zinc/14/54/65/328145465.db2.gz GCQOLDXIVBULTK-QGZVFWFLSA-N 0 3 354.454 2.282 20 30 FEEDHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1[C@@H](C)CC[C@@H]1C ZINC000191083229 328249339 /nfs/dbraw/zinc/24/93/39/328249339.db2.gz GSYFQKHWYPMIJD-IUVQAAGXSA-N 0 3 368.481 2.037 20 30 FEEDHN COc1cccc2c1CCN(C[C@@H](O)COc1ccc(C#N)cc1)CC2 ZINC000193708995 328390893 /nfs/dbraw/zinc/39/08/93/328390893.db2.gz ARYRSILBBGHHJG-GOSISDBHSA-N 0 3 352.434 2.407 20 30 FEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000083025531 325210631 /nfs/dbraw/zinc/21/06/31/325210631.db2.gz UGYCCMUCAQFKNL-IXDOHACOSA-N 0 3 359.470 2.331 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118810784 326104196 /nfs/dbraw/zinc/10/41/96/326104196.db2.gz DWSSAPCOVRQRHG-DLBZAZTESA-N 0 3 357.502 2.192 20 30 FEEDHN N#Cc1cccc(NCC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1 ZINC000119786886 326198292 /nfs/dbraw/zinc/19/82/92/326198292.db2.gz BBTSNZUOYQBBBP-LJQANCHMSA-N 0 3 356.470 2.074 20 30 FEEDHN N#Cc1ccc(OCC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc1 ZINC000159588374 326936026 /nfs/dbraw/zinc/93/60/26/326936026.db2.gz PAMQMIYZMYQXPE-LJQANCHMSA-N 0 3 357.454 2.040 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)CN1CCCCC1 ZINC000160959108 326983213 /nfs/dbraw/zinc/98/32/13/326983213.db2.gz MNDGOFXAJSDWHG-AWEZNQCLSA-N 0 3 353.463 2.239 20 30 FEEDHN CC[C@H]1CCCCN1CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000162776300 327034460 /nfs/dbraw/zinc/03/44/60/327034460.db2.gz CQOMEOSUYZLWDV-INIZCTEOSA-N 0 3 353.463 2.381 20 30 FEEDHN CC(C)N(C)CCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000164137485 327065247 /nfs/dbraw/zinc/06/52/47/327065247.db2.gz GEOQZNHONBWTQE-UHFFFAOYSA-N 0 3 371.466 2.077 20 30 FEEDHN Cc1nc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)ccc1C#N ZINC000170924479 327107701 /nfs/dbraw/zinc/10/77/01/327107701.db2.gz IIIQQXVUMILYSI-UHFFFAOYSA-N 0 3 364.449 2.148 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1C#N ZINC000173571028 327267534 /nfs/dbraw/zinc/26/75/34/327267534.db2.gz NCTVTCOMQDTUHP-MRXNPFEDSA-N 0 3 354.454 2.186 20 30 FEEDHN CN(C)CCOc1ccccc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173892464 327292107 /nfs/dbraw/zinc/29/21/07/327292107.db2.gz LEMYCVYMJWUABJ-UHFFFAOYSA-N 0 3 353.422 2.307 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CNC2(CO)CCCC2)c1C#N ZINC000175997620 327426917 /nfs/dbraw/zinc/42/69/17/327426917.db2.gz GWPNIFWMLSTRTL-UHFFFAOYSA-N 0 3 370.453 2.451 20 30 FEEDHN CCCNC(=O)CCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000264195912 328998664 /nfs/dbraw/zinc/99/86/64/328998664.db2.gz RPUWDEFRZXJVDC-UHFFFAOYSA-N 0 3 358.486 2.145 20 30 FEEDHN N#Cc1ccc(SCC(=O)NCC2(N3CCCC3)CCOCC2)cc1 ZINC000264274426 329006829 /nfs/dbraw/zinc/00/68/29/329006829.db2.gz OAILDLQSEGQXCR-UHFFFAOYSA-N 0 3 359.495 2.412 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC000265550631 329138002 /nfs/dbraw/zinc/13/80/02/329138002.db2.gz GTFXGMAPUJAQPE-UHFFFAOYSA-N 0 3 351.454 2.220 20 30 FEEDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cc(C#N)cs1 ZINC000267760311 329355575 /nfs/dbraw/zinc/35/55/75/329355575.db2.gz QWXUKIBGJRUUPR-OAHLLOKOSA-N 0 3 363.483 2.499 20 30 FEEDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(C#N)cs1 ZINC000267760308 329355681 /nfs/dbraw/zinc/35/56/81/329355681.db2.gz QWXUKIBGJRUUPR-HNNXBMFYSA-N 0 3 363.483 2.499 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2sccc2C#N)C[C@H]1N1CCCC1 ZINC000274046071 329910825 /nfs/dbraw/zinc/91/08/25/329910825.db2.gz NQMHUBFUEHUQGG-KGLIPLIRSA-N 0 3 350.513 2.070 20 30 FEEDHN CO[C@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000275171848 330018160 /nfs/dbraw/zinc/01/81/60/330018160.db2.gz BDFJXNXYZBPBCM-SJORKVTESA-N 0 3 353.426 2.230 20 30 FEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCCC(=O)Nc1ccc(C#N)cc1 ZINC000275266651 330028628 /nfs/dbraw/zinc/02/86/28/330028628.db2.gz ISOVIOMDOGJSBH-PXNSSMCTSA-N 0 3 367.453 2.357 20 30 FEEDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000276176184 330126454 /nfs/dbraw/zinc/12/64/54/330126454.db2.gz LOYFBUNPEURHOX-UONOGXRCSA-N 0 3 360.845 2.235 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804733645 674299017 /nfs/dbraw/zinc/29/90/17/674299017.db2.gz WTYRTCALHMMNAC-UHFFFAOYSA-N 0 3 351.244 2.116 20 30 FEEDHN C#CCNc1nc(N[C@H]2CSC[C@@H]2C)nc(N[C@@H]2CSC[C@@H]2C)n1 ZINC000804811502 674302082 /nfs/dbraw/zinc/30/20/82/674302082.db2.gz WFYJCTQPYKLHEN-ZDEQEGDKSA-N 0 3 364.544 2.244 20 30 FEEDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000420450105 559487870 /nfs/dbraw/zinc/48/78/70/559487870.db2.gz KMJQOOZZTMZAMX-UHFFFAOYSA-N 0 3 360.277 2.117 20 30 FEEDHN CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCC(CO)CC1 ZINC000156278302 545613522 /nfs/dbraw/zinc/61/35/22/545613522.db2.gz KCKCZXLJTGJMTH-UHFFFAOYSA-N 0 3 367.453 2.165 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(F)c(OC)cc2F)CC1 ZINC000157439719 545741531 /nfs/dbraw/zinc/74/15/31/545741531.db2.gz UPTXDGPYVQFKSH-UHFFFAOYSA-N 0 3 367.396 2.069 20 30 FEEDHN N#Cc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000157655407 545766896 /nfs/dbraw/zinc/76/68/96/545766896.db2.gz RJNSFMVMRLWNJJ-GOSISDBHSA-N 0 3 352.394 2.298 20 30 FEEDHN CCC(CC)N(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000165372831 546153581 /nfs/dbraw/zinc/15/35/81/546153581.db2.gz YUSGQHWJOYIFBV-UHFFFAOYSA-N 0 3 359.474 2.156 20 30 FEEDHN C#CCNC(=O)[C@@H](C)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000171121781 546191643 /nfs/dbraw/zinc/19/16/43/546191643.db2.gz UIXRLOFJXOMAEX-QGZVFWFLSA-N 0 3 370.497 2.441 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nnc(CC)[nH]1 ZINC000479206786 561184752 /nfs/dbraw/zinc/18/47/52/561184752.db2.gz FPMQCBLXHTYPJN-UHFFFAOYSA-N 0 3 361.519 2.465 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC000171560902 546213718 /nfs/dbraw/zinc/21/37/18/546213718.db2.gz FPBGJRFVPYKKNF-UHFFFAOYSA-N 0 3 358.486 2.228 20 30 FEEDHN C=CCN1CCC(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000171566271 546214584 /nfs/dbraw/zinc/21/45/84/546214584.db2.gz JYIPBRJBIVTQSB-UHFFFAOYSA-N 0 3 357.498 2.481 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](C2OCCO2)C1)C(C)C ZINC000171628346 546215731 /nfs/dbraw/zinc/21/57/31/546215731.db2.gz VNWNXUNJEVEZIF-MSOLQXFVSA-N 0 3 365.518 2.480 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000171704652 546219032 /nfs/dbraw/zinc/21/90/32/546219032.db2.gz BLGPKWUDGATHFJ-UHFFFAOYSA-N 0 3 356.470 2.263 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000171702277 546219831 /nfs/dbraw/zinc/21/98/31/546219831.db2.gz SPQZAJGDXKTJLV-HNNXBMFYSA-N 0 3 354.458 2.278 20 30 FEEDHN C=CCN1CCC(NC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000171720161 546220852 /nfs/dbraw/zinc/22/08/52/546220852.db2.gz JBGCNCLJGIRLNK-UHFFFAOYSA-N 0 3 363.512 2.062 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C(=O)NCCCC)CC[C@@H]2C)CC1 ZINC000171741971 546223722 /nfs/dbraw/zinc/22/37/22/546223722.db2.gz APVIWSJFTAGBLW-DLBZAZTESA-N 0 3 364.534 2.363 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000171871082 546228764 /nfs/dbraw/zinc/22/87/64/546228764.db2.gz DYRBBRIVPHHAEB-QGZVFWFLSA-N 0 3 374.504 2.103 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000171871080 546229098 /nfs/dbraw/zinc/22/90/98/546229098.db2.gz DYRBBRIVPHHAEB-KRWDZBQOSA-N 0 3 374.504 2.103 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cnn(Cc3ccc(OC)cc3)c2)CC1 ZINC000171930205 546231013 /nfs/dbraw/zinc/23/10/13/546231013.db2.gz KWNDLMQJDCSXHQ-UHFFFAOYSA-N 0 3 354.454 2.320 20 30 FEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479403110 561189046 /nfs/dbraw/zinc/18/90/46/561189046.db2.gz XTBHRMVMSFCKGR-VHSXEESVSA-N 0 3 367.298 2.476 20 30 FEEDHN C#CCN1CCC(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000173510737 546283090 /nfs/dbraw/zinc/28/30/90/546283090.db2.gz QHVMFCVQGHWGGU-LJQANCHMSA-N 0 3 353.510 2.455 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000174638620 546301074 /nfs/dbraw/zinc/30/10/74/546301074.db2.gz WWCCAJGJXMOFES-CQSZACIVSA-N 0 3 368.437 2.268 20 30 FEEDHN C=CCc1ccc(OCC(=O)NC[C@]2(N(C)C)CCSC2)c(OC)c1 ZINC000480263333 561206045 /nfs/dbraw/zinc/20/60/45/561206045.db2.gz JSRATGNKESRSTN-LJQANCHMSA-N 0 3 364.511 2.356 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000177535201 546639367 /nfs/dbraw/zinc/63/93/67/546639367.db2.gz OAEIIIQLRUACOU-CABCVRRESA-N 0 3 374.510 2.429 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)CCCO)cc1 ZINC000480998116 561222555 /nfs/dbraw/zinc/22/25/55/561222555.db2.gz LEUPAXLJESUJJZ-ZDUSSCGKSA-N 0 3 367.471 2.293 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c(F)c1 ZINC000481033695 561223525 /nfs/dbraw/zinc/22/35/25/561223525.db2.gz HPLSPSYRWVLGCI-MRXNPFEDSA-N 0 3 365.474 2.335 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC([C@H](C)NC(C)=O)CC1 ZINC000481150136 561226499 /nfs/dbraw/zinc/22/64/99/561226499.db2.gz XJMVLACLVFUQMB-OXJNMPFZSA-N 0 3 360.498 2.391 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000179356170 546938304 /nfs/dbraw/zinc/93/83/04/546938304.db2.gz XHBGIQRQNGQCNJ-UHFFFAOYSA-N 0 3 360.414 2.200 20 30 FEEDHN C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCOCC1 ZINC000179864067 547022384 /nfs/dbraw/zinc/02/23/84/547022384.db2.gz ICSUNVLCBAJTGH-CQSZACIVSA-N 0 3 353.426 2.087 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000180017131 547039484 /nfs/dbraw/zinc/03/94/84/547039484.db2.gz NTGPRPDGHJDUNY-IRXDYDNUSA-N 0 3 373.501 2.373 20 30 FEEDHN N#Cc1ccc(NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 ZINC000180722582 547166703 /nfs/dbraw/zinc/16/67/03/547166703.db2.gz QSSVIJSGVZZKRL-IBGZPJMESA-N 0 3 350.422 2.447 20 30 FEEDHN Cc1ccc(NC(=O)C[C@H](C)NCCNC(=O)C2N=CC=CC2=O)c(C)c1 ZINC000180879842 547200342 /nfs/dbraw/zinc/20/03/42/547200342.db2.gz KQAPDGHYWIDQOD-DNTCVELPSA-N 0 3 370.453 2.137 20 30 FEEDHN CNC(=O)C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000483404866 561276262 /nfs/dbraw/zinc/27/62/62/561276262.db2.gz KCVDKHILALDBDC-GOSISDBHSA-N 0 3 350.422 2.354 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC2CCOCC2)cc1 ZINC000483469483 561277853 /nfs/dbraw/zinc/27/78/53/561277853.db2.gz AISUAMVIJBRCLN-ZDUSSCGKSA-N 0 3 365.455 2.263 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(CO)CCCC2)cc1 ZINC000483599756 561280499 /nfs/dbraw/zinc/28/04/99/561280499.db2.gz GNAXQOQWWQCDFU-CYBMUJFWSA-N 0 3 365.455 2.047 20 30 FEEDHN C=CCCCN(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182790627 547552936 /nfs/dbraw/zinc/55/29/36/547552936.db2.gz LLGANEWOSACULV-IBGZPJMESA-N 0 3 358.461 2.433 20 30 FEEDHN CC[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000182843659 547560974 /nfs/dbraw/zinc/56/09/74/547560974.db2.gz SYBPTQYLERBKEK-APWZRJJASA-N 0 3 358.461 2.266 20 30 FEEDHN N#Cc1ccc(NC(=O)CN2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000182965124 547579533 /nfs/dbraw/zinc/57/95/33/547579533.db2.gz GAXXSCTXVPKGTM-UHFFFAOYSA-N 0 3 370.497 2.321 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000183041017 547590755 /nfs/dbraw/zinc/59/07/55/547590755.db2.gz RUUMHLVHJXMMTK-UHFFFAOYSA-N 0 3 354.248 2.233 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](Cc2ccccc2)C2CC2)CC1 ZINC000183402769 547651605 /nfs/dbraw/zinc/65/16/05/547651605.db2.gz CEHWCPSUTSTLKD-NHCUHLMSSA-N 0 3 368.525 2.290 20 30 FEEDHN CCO[C@H]1COCC[C@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000484636139 561301679 /nfs/dbraw/zinc/30/16/79/561301679.db2.gz BQKYKUSAKIESQI-MJGOQNOKSA-N 0 3 359.470 2.334 20 30 FEEDHN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1COc2ccccc21 ZINC000185592174 548006298 /nfs/dbraw/zinc/00/62/98/548006298.db2.gz RDODVBHWPNFSCT-RDTXWAMCSA-N 0 3 356.447 2.486 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc(CC#N)c1 ZINC000188167550 548273852 /nfs/dbraw/zinc/27/38/52/548273852.db2.gz GUVGMRQJODJCEG-QFIPXVFZSA-N 0 3 363.461 2.462 20 30 FEEDHN C=CC[C@H](C(=O)N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 ZINC000189138340 548296256 /nfs/dbraw/zinc/29/62/56/548296256.db2.gz ZDQGLCRXJPZVHD-IBGZPJMESA-N 0 3 357.498 2.359 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000189277275 548299523 /nfs/dbraw/zinc/29/95/23/548299523.db2.gz ULUJAGCJXAGSBG-UHFFFAOYSA-N 0 3 354.248 2.238 20 30 FEEDHN CN(C)CCn1c2cc(NC(=O)c3ccc(C#N)s3)ccc2oc1=O ZINC000486878163 561358817 /nfs/dbraw/zinc/35/88/17/561358817.db2.gz HYQWDLKGDHECHU-UHFFFAOYSA-N 0 3 356.407 2.342 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](C(=O)NCCC)C1 ZINC000195316063 548621336 /nfs/dbraw/zinc/62/13/36/548621336.db2.gz GQHQAGSQOYVVLX-MOPGFXCFSA-N 0 3 360.498 2.393 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245731901 548984261 /nfs/dbraw/zinc/98/42/61/548984261.db2.gz CKXUCVHNHMWWOU-HOCLYGCPSA-N 0 3 372.494 2.424 20 30 FEEDHN C[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000245882510 549009093 /nfs/dbraw/zinc/00/90/93/549009093.db2.gz NXBYSVKMSBRDTF-QFBILLFUSA-N 0 3 358.461 2.266 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000246778643 549210032 /nfs/dbraw/zinc/21/00/32/549210032.db2.gz PWVZQKLQHQLJRN-ICSRJNTNSA-N 0 3 369.513 2.138 20 30 FEEDHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000488860953 561398204 /nfs/dbraw/zinc/39/82/04/561398204.db2.gz YCLANHQXQZJZIB-KBPBESRZSA-N 0 3 353.463 2.344 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@H]1CCN(C(C)=O)C1 ZINC000247179880 549295374 /nfs/dbraw/zinc/29/53/74/549295374.db2.gz YCAVZBUUPXQEET-NVXWUHKLSA-N 0 3 363.527 2.451 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489128078 561404078 /nfs/dbraw/zinc/40/40/78/561404078.db2.gz XFCQUULXDHRUCH-OKILXGFUSA-N 0 3 353.463 2.344 20 30 FEEDHN CC[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000252733895 549678666 /nfs/dbraw/zinc/67/86/66/549678666.db2.gz SYBPTQYLERBKEK-VQIMIIECSA-N 0 3 358.461 2.266 20 30 FEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261879686 549765156 /nfs/dbraw/zinc/76/51/56/549765156.db2.gz ULJAOUAKSDEBBH-SFHVURJKSA-N 0 3 357.454 2.193 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](N2CCOCC2)[C@@H](CC)C1 ZINC000490415573 561432684 /nfs/dbraw/zinc/43/26/84/561432684.db2.gz KGNCRKPHAGZDPA-TYPHKJRUSA-N 0 3 374.525 2.197 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000264417836 549995991 /nfs/dbraw/zinc/99/59/91/549995991.db2.gz SISZXNRVRDTOSY-UHFFFAOYSA-N 0 3 351.472 2.252 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 ZINC000264491246 549996760 /nfs/dbraw/zinc/99/67/60/549996760.db2.gz WLYXKZYFWGVBAW-QGZVFWFLSA-N 0 3 355.482 2.364 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1 ZINC000264527116 549997088 /nfs/dbraw/zinc/99/70/88/549997088.db2.gz YYCDWUJODNLLMB-UHFFFAOYSA-N 0 3 355.438 2.110 20 30 FEEDHN C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000266456240 550020564 /nfs/dbraw/zinc/02/05/64/550020564.db2.gz LAOUSOPCIGCCKD-KSSFIOAISA-N 0 3 353.426 2.169 20 30 FEEDHN C[C@@H](NC(=O)CON=C(N)c1ccc(CN(C)C)cc1)c1cccs1 ZINC000267033234 550027348 /nfs/dbraw/zinc/02/73/48/550027348.db2.gz WGFDOWVZZFXARM-CYBMUJFWSA-N 0 3 360.483 2.324 20 30 FEEDHN CN(C)CCn1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)ccc1=O ZINC000270283648 550259285 /nfs/dbraw/zinc/25/92/85/550259285.db2.gz VTZWZTXCLANWEK-UHFFFAOYSA-N 0 3 368.437 2.078 20 30 FEEDHN C=CCOc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1OC ZINC000270551707 550283064 /nfs/dbraw/zinc/28/30/64/550283064.db2.gz ZNNUYMAGEYOJFA-YOEHRIQHSA-N 0 3 350.484 2.378 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1N(C)C ZINC000270639250 550291661 /nfs/dbraw/zinc/29/16/61/550291661.db2.gz ITWQELBXBHOJRA-LSDHHAIUSA-N 0 3 352.891 2.128 20 30 FEEDHN CC(C)N1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000270821795 550310598 /nfs/dbraw/zinc/31/05/98/550310598.db2.gz BKGZYNSMYFNLGB-UHFFFAOYSA-N 0 3 354.498 2.118 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000494464343 561470288 /nfs/dbraw/zinc/47/02/88/561470288.db2.gz QKKJBYQKNIRKLH-QUCCMNQESA-N 0 3 357.454 2.489 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cc4c(cc3O)OCO4)C2=O)cc1 ZINC000272629315 550461595 /nfs/dbraw/zinc/46/15/95/550461595.db2.gz XQNQUHPGXWFVMH-MRXNPFEDSA-N 0 3 365.389 2.278 20 30 FEEDHN CC1(C#N)CCN(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000272692756 550465541 /nfs/dbraw/zinc/46/55/41/550465541.db2.gz WFTAUCYKQBOAAY-UHFFFAOYSA-N 0 3 370.497 2.479 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000272878405 550474873 /nfs/dbraw/zinc/47/48/73/550474873.db2.gz QDHGKCDCWXVDBF-ZBFHGGJFSA-N 0 3 352.456 2.496 20 30 FEEDHN N#Cc1ccnc(NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000273185052 550488869 /nfs/dbraw/zinc/48/88/69/550488869.db2.gz MEMSQHZUKHYHNM-INIZCTEOSA-N 0 3 353.382 2.040 20 30 FEEDHN N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000273252979 550491841 /nfs/dbraw/zinc/49/18/41/550491841.db2.gz VFXJRCPFIFDAEC-KRWDZBQOSA-N 0 3 353.382 2.040 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000273466774 550499404 /nfs/dbraw/zinc/49/94/04/550499404.db2.gz NUVXFZQNMDGRHX-INIZCTEOSA-N 0 3 350.463 2.320 20 30 FEEDHN C=C(C)[C@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000275104264 550570752 /nfs/dbraw/zinc/57/07/52/550570752.db2.gz KKKCLOSXHHRYQN-INIZCTEOSA-N 0 3 353.413 2.338 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1=CCN(C)CC1 ZINC000276158499 550577296 /nfs/dbraw/zinc/57/72/96/550577296.db2.gz ROGLNSFJRAYNJQ-HNNXBMFYSA-N 0 3 370.453 2.074 20 30 FEEDHN CN1C(=O)C[C@H](NC[C@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000276961562 550615878 /nfs/dbraw/zinc/61/58/78/550615878.db2.gz QCSSLTLMUQMYSK-CMKODMSKSA-N 0 3 371.387 2.431 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000278573775 550800428 /nfs/dbraw/zinc/80/04/28/550800428.db2.gz JNMYPKHIVNLPTP-TZMCWYRMSA-N 0 3 351.428 2.015 20 30 FEEDHN CCNC(=O)C(C)(C)CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278628446 550806114 /nfs/dbraw/zinc/80/61/14/550806114.db2.gz KILYKMFFVAFVCN-UHFFFAOYSA-N 0 3 354.458 2.111 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CCCCO2)cc1 ZINC000278701692 550812981 /nfs/dbraw/zinc/81/29/81/550812981.db2.gz SYYARDYQMXHTHJ-UKRRQHHQSA-N 0 3 365.455 2.453 20 30 FEEDHN C=CCCCNC(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000279089096 550853029 /nfs/dbraw/zinc/85/30/29/550853029.db2.gz ABMABMSMSYDXQB-UHFFFAOYSA-N 0 3 358.486 2.238 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000279251055 550869763 /nfs/dbraw/zinc/86/97/63/550869763.db2.gz HBOWCILTGCUGOC-WOJBJXKFSA-N 0 3 372.428 2.158 20 30 FEEDHN CCc1cc2nncn2c(SCC(=O)C(C#N)c2nc(C)cs2)n1 ZINC000279889894 550940113 /nfs/dbraw/zinc/94/01/13/550940113.db2.gz IARSEAMJFMXHII-NSHDSACASA-N 0 3 358.452 2.420 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000279964439 550947777 /nfs/dbraw/zinc/94/77/77/550947777.db2.gz HHCBWAJORNBGBN-QZTJIDSGSA-N 0 3 353.422 2.433 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C[C@H]1N(C)C ZINC000495638763 561489958 /nfs/dbraw/zinc/48/99/58/561489958.db2.gz SSVJFMFXKZHMMV-KBAYOESNSA-N 0 3 361.511 2.466 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[S@@](=O)Cc2ccccc2)cc1 ZINC000280262657 550975204 /nfs/dbraw/zinc/97/52/04/550975204.db2.gz CLUXUZRISPPTAM-NIYFSFCBSA-N 0 3 365.458 2.306 20 30 FEEDHN COC(=O)[C@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000280493151 550999955 /nfs/dbraw/zinc/99/99/55/550999955.db2.gz BTIVYIPPTDRBCG-WGSAOQKQSA-N 0 3 371.481 2.428 20 30 FEEDHN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281005050 551053915 /nfs/dbraw/zinc/05/39/15/551053915.db2.gz UPPNGRGTJIBCLQ-SJORKVTESA-N 0 3 368.437 2.366 20 30 FEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000281104050 551063480 /nfs/dbraw/zinc/06/34/80/551063480.db2.gz DGKUDKAQSNSECH-CRAIPNDOSA-N 0 3 353.422 2.037 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCCCN3C3CC3)CC2)o1 ZINC000281531329 551109497 /nfs/dbraw/zinc/10/94/97/551109497.db2.gz HVYMGMFFJCFQEZ-QGZVFWFLSA-N 0 3 371.485 2.204 20 30 FEEDHN COc1cc(CN[C@H]2CCN(C(=O)COc3ccccc3)C2)ccc1C#N ZINC000282147104 551186693 /nfs/dbraw/zinc/18/66/93/551186693.db2.gz ADSMVHXXXQTQEF-SFHVURJKSA-N 0 3 365.433 2.336 20 30 FEEDHN Cc1ccccc1CN1CCC(NS(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000282409006 551224572 /nfs/dbraw/zinc/22/45/72/551224572.db2.gz ATQZTBMLGFZFCJ-MRXNPFEDSA-N 0 3 364.515 2.028 20 30 FEEDHN C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000282465498 551233365 /nfs/dbraw/zinc/23/33/65/551233365.db2.gz BHHFHGJZYZUFKL-UHFFFAOYSA-N 0 3 357.458 2.334 20 30 FEEDHN COc1cc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)ccc1C#N ZINC000282482561 551235029 /nfs/dbraw/zinc/23/50/29/551235029.db2.gz WZTRJNQXTVLUSO-HKUYNNGSSA-N 0 3 371.460 2.345 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000282809410 551272857 /nfs/dbraw/zinc/27/28/57/551272857.db2.gz QTIDWNKLELRZQL-GOSISDBHSA-N 0 3 371.485 2.242 20 30 FEEDHN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000283126113 551315833 /nfs/dbraw/zinc/31/58/33/551315833.db2.gz CEUHVEZLWCKVLE-KRWDZBQOSA-N 0 3 372.517 2.155 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccccn1)C(C)C ZINC000284097565 551483040 /nfs/dbraw/zinc/48/30/40/551483040.db2.gz PKHFVBURNUQLDS-HKUYNNGSSA-N 0 3 372.513 2.416 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000284118775 551487068 /nfs/dbraw/zinc/48/70/68/551487068.db2.gz RFYXRMXSMRWDHL-UHFFFAOYSA-N 0 3 369.387 2.088 20 30 FEEDHN C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1)c1ccc(C#N)cc1 ZINC000284143895 551491947 /nfs/dbraw/zinc/49/19/47/551491947.db2.gz WTAUTPAXLNZGCG-VQIMIIECSA-N 0 3 368.481 2.212 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](CC)c2ccc(OC)cc2)CC1 ZINC000284171609 551497619 /nfs/dbraw/zinc/49/76/19/551497619.db2.gz NWKUWBKVIRJWQA-SFHVURJKSA-N 0 3 359.470 2.029 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000284562444 551577651 /nfs/dbraw/zinc/57/76/51/551577651.db2.gz DLWAMBZUKWROKD-IBGZPJMESA-N 0 3 373.497 2.275 20 30 FEEDHN Cc1onc(CC(=O)NC2CCN(Cc3ccccc3C)CC2)c1C#N ZINC000498531261 561527225 /nfs/dbraw/zinc/52/72/25/561527225.db2.gz CYADCDKHXHYWCQ-UHFFFAOYSA-N 0 3 352.438 2.486 20 30 FEEDHN C#CCSCCNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000285609894 551782349 /nfs/dbraw/zinc/78/23/49/551782349.db2.gz XZNOXMFUORXSTG-UHFFFAOYSA-N 0 3 361.511 2.325 20 30 FEEDHN CCN1C[C@@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C ZINC000498941395 561538599 /nfs/dbraw/zinc/53/85/99/561538599.db2.gz YZRKWIBSKGXARC-HZPDHXFCSA-N 0 3 366.469 2.097 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286245804 551865326 /nfs/dbraw/zinc/86/53/26/551865326.db2.gz ZTXUGQLFPYXOGB-RSPOEFSDSA-N 0 3 355.482 2.499 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286294242 551870833 /nfs/dbraw/zinc/87/08/33/551870833.db2.gz CEHZIFIRUSXSQQ-KGLIPLIRSA-N 0 3 355.360 2.380 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000286661592 551911883 /nfs/dbraw/zinc/91/18/83/551911883.db2.gz NXCGVWMKDATEIR-IAGOWNOFSA-N 0 3 357.498 2.452 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)CC1 ZINC000286824988 551930051 /nfs/dbraw/zinc/93/00/51/551930051.db2.gz WSSLQJYFJOBNRO-DOTOQJQBSA-N 0 3 359.470 2.346 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000286830339 551930846 /nfs/dbraw/zinc/93/08/46/551930846.db2.gz XDKCEAUTADIPRM-UHFFFAOYSA-N 0 3 368.481 2.062 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000286866268 551934785 /nfs/dbraw/zinc/93/47/85/551934785.db2.gz ZWLBTTDAFWOGAO-UHFFFAOYSA-N 0 3 372.494 2.021 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000286976877 551947079 /nfs/dbraw/zinc/94/70/79/551947079.db2.gz HDWDLIVDWXFKRK-UHFFFAOYSA-N 0 3 361.511 2.277 20 30 FEEDHN COc1ccc(CN2CC[C@H](N[C@H]3CCC[C@@H](C#N)C3)C2=O)c(OC)c1 ZINC000287155822 551970162 /nfs/dbraw/zinc/97/01/62/551970162.db2.gz SWQGQGNOWAVXKF-HFTRVMKXSA-N 0 3 357.454 2.477 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000288079886 552087161 /nfs/dbraw/zinc/08/71/61/552087161.db2.gz HGNRYXIYPQZFTQ-PKOBYXMFSA-N 0 3 357.498 2.438 20 30 FEEDHN Cc1onc(CC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1C#N ZINC000500172197 561567198 /nfs/dbraw/zinc/56/71/98/561567198.db2.gz MFHQNGYSVMKJFT-UHFFFAOYSA-N 0 3 368.437 2.240 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000289629929 552352315 /nfs/dbraw/zinc/35/23/15/552352315.db2.gz ZPRUDNQACSOQOD-HNAYVOBHSA-N 0 3 370.478 2.142 20 30 FEEDHN CCS[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289630861 552352553 /nfs/dbraw/zinc/35/25/53/552352553.db2.gz BNXLKPPRAUBLES-GJZGRUSLSA-N 0 3 353.513 2.381 20 30 FEEDHN Cc1ccncc1N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000500663195 561578996 /nfs/dbraw/zinc/57/89/96/561578996.db2.gz IXBMPNSCDBNRNN-LJQANCHMSA-N 0 3 359.433 2.293 20 30 FEEDHN N#Cc1ccc(NCCCN2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000290549553 552496714 /nfs/dbraw/zinc/49/67/14/552496714.db2.gz JHCJSISRCKRBMM-UHFFFAOYSA-N 0 3 366.425 2.486 20 30 FEEDHN CC(C)OCc1nc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)no1 ZINC000291189064 552597979 /nfs/dbraw/zinc/59/79/79/552597979.db2.gz ISCLUZGWSNHVAR-CJNGLKHVSA-N 0 3 367.409 2.426 20 30 FEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000291742714 552657137 /nfs/dbraw/zinc/65/71/37/552657137.db2.gz YWBNVAMASZNZKF-IRXDYDNUSA-N 0 3 359.474 2.092 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H](O)COCc3cccs3)C2)nc1 ZINC000292375440 552720907 /nfs/dbraw/zinc/72/09/07/552720907.db2.gz YWBXTHOQEMDWLK-HZPDHXFCSA-N 0 3 359.451 2.046 20 30 FEEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCCOCCC#N)cc1 ZINC000292686984 552749405 /nfs/dbraw/zinc/74/94/05/552749405.db2.gz CGOCRNODWGRQJN-OAHLLOKOSA-N 0 3 353.488 2.298 20 30 FEEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000292857806 552765577 /nfs/dbraw/zinc/76/55/77/552765577.db2.gz GPPLLIZSSYOLEV-SJORKVTESA-N 0 3 374.533 2.111 20 30 FEEDHN C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000293308928 552810015 /nfs/dbraw/zinc/81/00/15/552810015.db2.gz IKYJWPKOXJYRID-UHFFFAOYSA-N 0 3 372.513 2.486 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000293879848 552864881 /nfs/dbraw/zinc/86/48/81/552864881.db2.gz COAUKCOHGRKPMI-UHFFFAOYSA-N 0 3 371.868 2.235 20 30 FEEDHN CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@]2(C#N)CC23CCCC3)cc1 ZINC000294611416 552920447 /nfs/dbraw/zinc/92/04/47/552920447.db2.gz MYPDICMAGFEBGJ-NRFANRHFSA-N 0 3 368.481 2.068 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000295384066 552997744 /nfs/dbraw/zinc/99/77/44/552997744.db2.gz HDAJTWKOQMWPOV-SFHVURJKSA-N 0 3 359.470 2.070 20 30 FEEDHN N#C[C@]1(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC12CCCC2 ZINC000295721259 553049802 /nfs/dbraw/zinc/04/98/02/553049802.db2.gz UHLPLUINPDKFHO-RXVVDRJESA-N 0 3 353.466 2.343 20 30 FEEDHN C=CCc1ccc(OCC(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)c(OC)c1 ZINC000502701284 561623639 /nfs/dbraw/zinc/62/36/39/561623639.db2.gz URNAUXYRVRYIEJ-ZWKOTPCHSA-N 0 3 374.481 2.124 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000296350219 553145791 /nfs/dbraw/zinc/14/57/91/553145791.db2.gz NTEPYVWOYSLAHM-UHFFFAOYSA-N 0 3 357.502 2.216 20 30 FEEDHN C#CCCOc1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1 ZINC000296595265 553184711 /nfs/dbraw/zinc/18/47/11/553184711.db2.gz SJBLGBCXYSVBOP-UHFFFAOYSA-N 0 3 353.422 2.064 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000296889386 553225688 /nfs/dbraw/zinc/22/56/88/553225688.db2.gz MFIWJJDAVYTQOP-OAHLLOKOSA-N 0 3 371.485 2.286 20 30 FEEDHN C#CCOc1ccc(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1 ZINC000297178271 553259773 /nfs/dbraw/zinc/25/97/73/553259773.db2.gz WESVQHNPPXTHHW-KRWDZBQOSA-N 0 3 371.481 2.093 20 30 FEEDHN CCCN(CCN(CC)CC)C(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000297585825 553311969 /nfs/dbraw/zinc/31/19/69/553311969.db2.gz BZFUMWXDTWMUCW-UHFFFAOYSA-N 0 3 358.486 2.097 20 30 FEEDHN CC(C)C[C@H](Nc1cc(C#N)nc(C2CC2)n1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000601192062 553358322 /nfs/dbraw/zinc/35/83/22/553358322.db2.gz QDZMYUVAXVBFIB-SJORKVTESA-N 0 3 370.501 2.215 20 30 FEEDHN CCNC(=O)[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000298055970 553378202 /nfs/dbraw/zinc/37/82/02/553378202.db2.gz FVQCUGAGDYNUOF-INIZCTEOSA-N 0 3 362.499 2.187 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCN(Cc3ccc(OCC)cc3)CC2)CC1 ZINC000299045585 553507900 /nfs/dbraw/zinc/50/79/00/553507900.db2.gz NHFGZNNGWSZUTJ-UHFFFAOYSA-N 0 3 369.509 2.075 20 30 FEEDHN C#CCN1CCC(C(=O)N(CCCc2ccccc2)CCN(C)C)CC1 ZINC000299576771 553583744 /nfs/dbraw/zinc/58/37/44/553583744.db2.gz CMCGLXHHOBDJFW-UHFFFAOYSA-N 0 3 355.526 2.355 20 30 FEEDHN CN(CCCNCCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000311257104 553754968 /nfs/dbraw/zinc/75/49/68/553754968.db2.gz CPKOYQVWURRGSU-UHFFFAOYSA-N 0 3 371.506 2.444 20 30 FEEDHN Cc1nc(N2CCN(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)CC2)sc1C ZINC000328701582 553809305 /nfs/dbraw/zinc/80/93/05/553809305.db2.gz WTCQNKMIOFGFAP-BLLLJJGKSA-N 0 3 363.531 2.279 20 30 FEEDHN C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)N1CCC[C@@H](C)C1 ZINC000505786468 561680830 /nfs/dbraw/zinc/68/08/30/561680830.db2.gz AOKNVVABLOWKRG-ZRGWGRIASA-N 0 3 351.491 2.485 20 30 FEEDHN O=C(CN1CCC(CN2CCOCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000328827714 553829202 /nfs/dbraw/zinc/82/92/02/553829202.db2.gz IOGJQFMQVCVNNS-UHFFFAOYSA-N 0 3 361.442 2.048 20 30 FEEDHN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)C1 ZINC000328870443 553836538 /nfs/dbraw/zinc/83/65/38/553836538.db2.gz PNMZUTWBSQXLEK-ZBFHGGJFSA-N 0 3 352.479 2.032 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)C1 ZINC000328981360 553858063 /nfs/dbraw/zinc/85/80/63/553858063.db2.gz DOWWAEYGMFWVBR-HLIPFELVSA-N 0 3 373.497 2.491 20 30 FEEDHN Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)CC(=O)N1C ZINC000328981653 553858114 /nfs/dbraw/zinc/85/81/14/553858114.db2.gz DSJKNXQALNWJRB-HHXXYDBFSA-N 0 3 373.501 2.446 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCN(C(C)=O)C3(CCCCC3)C2)CC1 ZINC000329047018 553871367 /nfs/dbraw/zinc/87/13/67/553871367.db2.gz QDUVXENYODUOIW-UHFFFAOYSA-N 0 3 364.534 2.294 20 30 FEEDHN CC(C)C(=O)N1CCC(NC(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000329086982 553878154 /nfs/dbraw/zinc/87/81/54/553878154.db2.gz VBBGPSJYDAXWOC-UHFFFAOYSA-N 0 3 350.507 2.108 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@@H]1N(C)C ZINC000329098375 553880039 /nfs/dbraw/zinc/88/00/39/553880039.db2.gz YSRNCSPUDOMJAZ-KBPBESRZSA-N 0 3 366.462 2.209 20 30 FEEDHN CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@H](C)N3CCC(C)CC3)CC[C@@H]21 ZINC000329147145 553889206 /nfs/dbraw/zinc/88/92/06/553889206.db2.gz XOULXDYBFNJJGL-ZACQAIPSSA-N 0 3 365.522 2.102 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCOC3(CCC3)C2)C1 ZINC000329193071 553899321 /nfs/dbraw/zinc/89/93/21/553899321.db2.gz RHZXURUCRBTGJS-IKGGRYGDSA-N 0 3 351.491 2.187 20 30 FEEDHN C[C@H](NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O)C1=CCN(C)CC1 ZINC000329250494 553910941 /nfs/dbraw/zinc/91/09/41/553910941.db2.gz BAQBNUNRUPCPPT-WRSAYESZSA-N 0 3 363.462 2.048 20 30 FEEDHN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCN(CC3CC3)CC1)C2 ZINC000329274047 553914704 /nfs/dbraw/zinc/91/47/04/553914704.db2.gz KFUVFYFUTOUAGR-INIZCTEOSA-N 0 3 359.518 2.437 20 30 FEEDHN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCN(CC3CC3)CC1)C2 ZINC000329274047 553914706 /nfs/dbraw/zinc/91/47/06/553914706.db2.gz KFUVFYFUTOUAGR-INIZCTEOSA-N 0 3 359.518 2.437 20 30 FEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000329327740 553925827 /nfs/dbraw/zinc/92/58/27/553925827.db2.gz XKNBEPLIUILGJS-OAHLLOKOSA-N 0 3 362.499 2.047 20 30 FEEDHN C[C@@H](NC(=O)NCc1ccccc1N1CCOCC1)C1=CCN(C)CC1 ZINC000329342327 553928760 /nfs/dbraw/zinc/92/87/60/553928760.db2.gz PNGRNHXQBBNSCF-MRXNPFEDSA-N 0 3 358.486 2.177 20 30 FEEDHN CC1=CCN(CCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000506662200 561705194 /nfs/dbraw/zinc/70/51/94/561705194.db2.gz QKEITLQFMWGTJM-UHFFFAOYSA-N 0 3 368.481 2.482 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](c4nc[nH]n4)C3)C2=O)cc1 ZINC000329468900 553952680 /nfs/dbraw/zinc/95/26/80/553952680.db2.gz XRJFOKSYGYOBDV-NVXWUHKLSA-N 0 3 350.426 2.051 20 30 FEEDHN CCC1(CC)CN(C(=O)NC2CCN(CC(C)C)CC2)CCS1(=O)=O ZINC000329645689 553981595 /nfs/dbraw/zinc/98/15/95/553981595.db2.gz ZNSVDUJCLIUTQI-UHFFFAOYSA-N 0 3 373.563 2.310 20 30 FEEDHN C[C@H](CNC(=O)N[C@H]1CCc2c[nH]nc2C1)N1CCc2ccccc2C1 ZINC000329816249 554011461 /nfs/dbraw/zinc/01/14/61/554011461.db2.gz DWQVPLRBWGLYCO-KDOFPFPSSA-N 0 3 353.470 2.217 20 30 FEEDHN C[C@H](CNC([O-])=[NH+][C@H]1CCc2c[nH]nc2C1)N1CCc2ccccc2C1 ZINC000329816249 554011463 /nfs/dbraw/zinc/01/14/63/554011463.db2.gz DWQVPLRBWGLYCO-KDOFPFPSSA-N 0 3 353.470 2.217 20 30 FEEDHN Cn1nnc2c1C[C@@H](C(=O)NCC1(N3CCSCC3)CCCC1)CC2 ZINC000329831750 554014217 /nfs/dbraw/zinc/01/42/17/554014217.db2.gz KDNMNNQBFUZMBP-AWEZNQCLSA-N 0 3 363.531 2.238 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000329894448 554026583 /nfs/dbraw/zinc/02/65/83/554026583.db2.gz BIQFPNNCMUHIQT-ZWKOTPCHSA-N 0 3 358.486 2.021 20 30 FEEDHN CC(C)c1nnc([C@@H]2CN(C(=O)NCCN3CCC[C@@H](C)C3)CCO2)o1 ZINC000329905339 554028885 /nfs/dbraw/zinc/02/88/85/554028885.db2.gz JNJUBPANBVGGMG-CABCVRRESA-N 0 3 365.478 2.212 20 30 FEEDHN CC1CCN([C@H](CNC(=O)N[C@H]2CC(=O)N(C)C2)c2cccs2)CC1 ZINC000329918790 554031547 /nfs/dbraw/zinc/03/15/47/554031547.db2.gz GCDVYAMWXVMVPH-LSDHHAIUSA-N 0 3 364.515 2.255 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3CCCCC3)C2)C12CCOCC2 ZINC000329975766 554042408 /nfs/dbraw/zinc/04/24/08/554042408.db2.gz DUJVXUWEVXHMTL-FGTMMUONSA-N 0 3 365.518 2.435 20 30 FEEDHN CC(C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000330087882 554062501 /nfs/dbraw/zinc/06/25/01/554062501.db2.gz UFJILLYMOZSEIE-IUODEOHRSA-N 0 3 371.503 2.446 20 30 FEEDHN CC(C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)S(=O)(=O)C1CCOCC1 ZINC000330104022 554065005 /nfs/dbraw/zinc/06/50/05/554065005.db2.gz GRCGFSCBPJKLPS-FAAHXZRKSA-N 0 3 359.488 2.129 20 30 FEEDHN C[C@@H]1C[C@H](CCNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CCO1 ZINC000330231921 554089998 /nfs/dbraw/zinc/08/99/98/554089998.db2.gz RGCNYJWKDIFREZ-BRWVUGGUSA-N 0 3 353.507 2.291 20 30 FEEDHN Cc1c([C@@H]2[C@H](C(=O)NCCN3CCCC[C@@H]3C)CC(=O)N2C)cnn1C ZINC000330289042 554100352 /nfs/dbraw/zinc/10/03/52/554100352.db2.gz DNLVAHLYYVKACX-JOQOYGCGSA-N 0 3 361.490 2.079 20 30 FEEDHN CCn1cc([C@H]2OCC[C@@H]2NC(=O)NC[C@H](C)N2CCC(C)CC2)cn1 ZINC000330333534 554106880 /nfs/dbraw/zinc/10/68/80/554106880.db2.gz PVKMXTXNZVPDKT-RYQLBKOJSA-N 0 3 363.506 2.357 20 30 FEEDHN CC(C)C(=O)NC1CCN(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000330397933 554116439 /nfs/dbraw/zinc/11/64/39/554116439.db2.gz HLVZPSCVKLSIQH-UHFFFAOYSA-N 0 3 360.502 2.399 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)CN3CCC[C@H](C)C3)cc2C1=O ZINC000508312288 561758423 /nfs/dbraw/zinc/75/84/23/561758423.db2.gz DEIKHNQZDSXXNY-GJZGRUSLSA-N 0 3 369.465 2.319 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2cccc(OCC(F)F)n2)C[C@@H]1N(C)C ZINC000330922227 554189119 /nfs/dbraw/zinc/18/91/19/554189119.db2.gz RBJITWINUYOZEN-WDEREUQCSA-N 0 3 360.430 2.248 20 30 FEEDHN CS[C@@H]1CN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)C[C@H]1N(C)C ZINC000330973078 554195483 /nfs/dbraw/zinc/19/54/83/554195483.db2.gz DDQNCTJHPDXWQO-HUUCEWRRSA-N 0 3 370.563 2.105 20 30 FEEDHN CC(C)NC(=O)NC1(C(=O)N(C)CC2CCN(C)CC2)CCCCC1 ZINC000330984274 554197325 /nfs/dbraw/zinc/19/73/25/554197325.db2.gz HZQJDZUKCYNOTE-UHFFFAOYSA-N 0 3 352.523 2.402 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000331891437 554340224 /nfs/dbraw/zinc/34/02/24/554340224.db2.gz OIMWEASLCCUNKQ-LJQANCHMSA-N 0 3 364.449 2.102 20 30 FEEDHN C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000332394142 554438257 /nfs/dbraw/zinc/43/82/57/554438257.db2.gz NOSNSPKXXFXJLT-LZQZEXGQSA-N 0 3 355.486 2.092 20 30 FEEDHN Cc1cccc([C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)c1 ZINC000332667963 554493844 /nfs/dbraw/zinc/49/38/44/554493844.db2.gz MJCGOAHHJNOCSB-NHCUHLMSSA-N 0 3 368.525 2.477 20 30 FEEDHN CC(C#N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000510383968 561832837 /nfs/dbraw/zinc/83/28/37/561832837.db2.gz IRUQIIOXMATGFQ-JTQLQIEISA-N 0 3 356.304 2.422 20 30 FEEDHN N#C[C@H]1CCC[C@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511033381 561854354 /nfs/dbraw/zinc/85/43/54/561854354.db2.gz UNUOIQGHQGXPAR-AAEUAGOBSA-N 0 3 359.854 2.429 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1=O ZINC000348512048 554687552 /nfs/dbraw/zinc/68/75/52/554687552.db2.gz NDDHHQMYUGPATG-NXHRZFHOSA-N 0 3 357.454 2.163 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C2CCN([C@@H](C)c3ccccc3)CC2)C1=O ZINC000348506048 554687585 /nfs/dbraw/zinc/68/75/85/554687585.db2.gz JRTVDCZHMIQHMD-MAUKXSAKSA-N 0 3 357.454 2.335 20 30 FEEDHN C[C@@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360682355 554885214 /nfs/dbraw/zinc/88/52/14/554885214.db2.gz UJCAVFAWQSPMMD-OAHLLOKOSA-N 0 3 374.444 2.473 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000511496209 561870844 /nfs/dbraw/zinc/87/08/44/561870844.db2.gz CTOIJOWJZLITQQ-UHFFFAOYSA-N 0 3 361.461 2.366 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)ccc1Cl ZINC000361943345 554939678 /nfs/dbraw/zinc/93/96/78/554939678.db2.gz LKDDPDMPXKPKEJ-HNNXBMFYSA-N 0 3 360.845 2.237 20 30 FEEDHN CN(CCC(=O)Nc1sccc1C#N)C[C@@H](O)COCc1ccccc1 ZINC000511618785 561874793 /nfs/dbraw/zinc/87/47/93/561874793.db2.gz SQBXEROOQBSLHM-QGZVFWFLSA-N 0 3 373.478 2.458 20 30 FEEDHN C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN1C1CCN(C)CC1 ZINC000362323249 554963592 /nfs/dbraw/zinc/96/35/92/554963592.db2.gz AATZKIUAVBMNIF-MRXNPFEDSA-N 0 3 353.514 2.437 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000362431162 554971705 /nfs/dbraw/zinc/97/17/05/554971705.db2.gz SRGPXNDVGZADKE-CALCHBBNSA-N 0 3 371.481 2.285 20 30 FEEDHN N#C[C@H]1CN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCN1C1CC1 ZINC000362983766 555005136 /nfs/dbraw/zinc/00/51/36/555005136.db2.gz KPENPRPXBDAAGT-VQTJNVASSA-N 0 3 367.497 2.205 20 30 FEEDHN C[C@H](NC(C)(C)CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000363129237 555036907 /nfs/dbraw/zinc/03/69/07/555036907.db2.gz DEZVTDFJVBOFOH-LPHOPBHVSA-N 0 3 369.513 2.498 20 30 FEEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000363178733 555047248 /nfs/dbraw/zinc/04/72/48/555047248.db2.gz VURBURWFVKUTQS-LJQANCHMSA-N 0 3 353.470 2.392 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C3CCN(C)CC3)C2)n1 ZINC000363300283 555073848 /nfs/dbraw/zinc/07/38/48/555073848.db2.gz ZMCXWRGYSKUXAO-KRWDZBQOSA-N 0 3 355.486 2.031 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000363663062 555158212 /nfs/dbraw/zinc/15/82/12/555158212.db2.gz YQDYKWQYWQRFCK-KRWDZBQOSA-N 0 3 365.543 2.235 20 30 FEEDHN CCc1nc(CN2CCC[C@@H](N(C)CCOc3ccc(C#N)cc3)C2)no1 ZINC000364108281 555250995 /nfs/dbraw/zinc/25/09/95/555250995.db2.gz PAVQLPZEOZYMKG-QGZVFWFLSA-N 0 3 369.469 2.479 20 30 FEEDHN CC(C)(O)CN1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000364618657 555354375 /nfs/dbraw/zinc/35/43/75/555354375.db2.gz YPDBECMCSPHCDO-UHFFFAOYSA-N 0 3 373.497 2.413 20 30 FEEDHN Cc1nc(C(=O)Nc2ccnc(OC3CCN(C)CC3)c2)ccc1C#N ZINC000365041394 555471759 /nfs/dbraw/zinc/47/17/59/555471759.db2.gz NQKCXCGYUWKWJR-UHFFFAOYSA-N 0 3 351.410 2.382 20 30 FEEDHN CC(C)(CCC#N)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000513112935 561925938 /nfs/dbraw/zinc/92/59/38/561925938.db2.gz HMNCFNBFBVRWLY-RTBURBONSA-N 0 3 372.513 2.499 20 30 FEEDHN CN(Cc1cccc(C#N)c1)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000365869030 555687828 /nfs/dbraw/zinc/68/78/28/555687828.db2.gz DGLQUSOUQNSYCE-UHFFFAOYSA-N 0 3 352.442 2.685 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000365959487 555711655 /nfs/dbraw/zinc/71/16/55/555711655.db2.gz HOHAUNJLGSHMGD-OAQYLSRUSA-N 0 3 357.498 2.373 20 30 FEEDHN CC(C)(C)C(=O)N1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000366379297 555827502 /nfs/dbraw/zinc/82/75/02/555827502.db2.gz GIOJBPJKLRAESV-GOSISDBHSA-N 0 3 366.465 2.348 20 30 FEEDHN N#Cc1c(NC(=O)CCN2C[C@H]3[C@H](CO)[C@H]3C2)sc2c1CCCCC2 ZINC000366437179 555843055 /nfs/dbraw/zinc/84/30/55/555843055.db2.gz MGPPYVIPFQUFLK-ZSHCYNCHSA-N 0 3 359.495 2.387 20 30 FEEDHN N#Cc1cccc(CCNC(=O)c2cnn(CCN3CCCCC3)c2)c1 ZINC000366949784 555979981 /nfs/dbraw/zinc/97/99/81/555979981.db2.gz DIEVDGYJBSTMRJ-UHFFFAOYSA-N 0 3 351.454 2.213 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC(=O)N(c3ccccc3OC)C2)CC1 ZINC000367359914 556027952 /nfs/dbraw/zinc/02/79/52/556027952.db2.gz CTLGMHWBUCIGFE-MRXNPFEDSA-N 0 3 371.481 2.205 20 30 FEEDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)C2)C1 ZINC000515875432 562024408 /nfs/dbraw/zinc/02/44/08/562024408.db2.gz ZSIOYENQKISAJP-MRXNPFEDSA-N 0 3 353.875 2.318 20 30 FEEDHN CCc1nnc(N2CCC(C)(CN3CCN(C)CC3)CC2)c(C#N)c1CC ZINC000369391389 556588453 /nfs/dbraw/zinc/58/84/53/556588453.db2.gz MJQZIKCCKFJKOD-UHFFFAOYSA-N 0 3 370.545 2.327 20 30 FEEDHN Cc1ccc(NC(=O)CCN2CC[C@H](Oc3ccc(C#N)cn3)C2)nc1 ZINC000516172154 562033733 /nfs/dbraw/zinc/03/37/33/562033733.db2.gz GSEOQQYCGICYQY-INIZCTEOSA-N 0 3 351.410 2.139 20 30 FEEDHN C[C@@H](CO)N1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000369732081 556680128 /nfs/dbraw/zinc/68/01/28/556680128.db2.gz MTPLVRGOFXRKGC-KRWDZBQOSA-N 0 3 368.481 2.474 20 30 FEEDHN COCCCN1CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000369904096 556725865 /nfs/dbraw/zinc/72/58/65/556725865.db2.gz HMQKEWUYVPLEMT-OAHLLOKOSA-N 0 3 362.474 2.139 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H](N(C)C)C3)C2)n1 ZINC000369935753 556735075 /nfs/dbraw/zinc/73/50/75/556735075.db2.gz JIWYRLADANLQNL-ZWKOTPCHSA-N 0 3 355.486 2.031 20 30 FEEDHN C=CCC[C@H](O)CN1CCCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000370494442 556889621 /nfs/dbraw/zinc/88/96/21/556889621.db2.gz DRKXSFREHJHDTF-HOTGVXAUSA-N 0 3 352.479 2.002 20 30 FEEDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000370667440 556934962 /nfs/dbraw/zinc/93/49/62/556934962.db2.gz MKAOYGMBAZCYKG-WMZOPIPTSA-N 0 3 366.383 2.330 20 30 FEEDHN C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000370668174 556935792 /nfs/dbraw/zinc/93/57/92/556935792.db2.gz UAVYQKYSVKFQPV-ZBFHGGJFSA-N 0 3 359.451 2.340 20 30 FEEDHN C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000370668174 556935794 /nfs/dbraw/zinc/93/57/94/556935794.db2.gz UAVYQKYSVKFQPV-ZBFHGGJFSA-N 0 3 359.451 2.340 20 30 FEEDHN N#C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCN1C1CC1 ZINC000370990706 557038259 /nfs/dbraw/zinc/03/82/59/557038259.db2.gz IGVNHTFQZUOUPE-FXAWDEMLSA-N 0 3 370.472 2.236 20 30 FEEDHN Cc1cccc(S(=O)(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1C#N ZINC000371000569 557041282 /nfs/dbraw/zinc/04/12/82/557041282.db2.gz WKJWBHLZQDEMPB-HNNXBMFYSA-N 0 3 371.462 2.385 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3CN(C)C)cc2C1=O ZINC000517082224 562075158 /nfs/dbraw/zinc/07/51/58/562075158.db2.gz WKVQIELAINMYKO-OAHLLOKOSA-N 0 3 355.438 2.025 20 30 FEEDHN CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC000517697110 562095554 /nfs/dbraw/zinc/09/55/54/562095554.db2.gz INHFOMLLIWXABK-LJQANCHMSA-N 0 3 368.481 2.266 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(NC(=O)COC)c2)CC1 ZINC000517994226 562102289 /nfs/dbraw/zinc/10/22/89/562102289.db2.gz NMMCSBKZMYVSRZ-UHFFFAOYSA-N 0 3 374.485 2.111 20 30 FEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000518689018 562116490 /nfs/dbraw/zinc/11/64/90/562116490.db2.gz GJIGYYGCZZFYNM-ZTQAJYAQSA-N 0 3 354.454 2.341 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(c3noc(C4CC4)n3)CC2)CC1 ZINC000372076636 557373590 /nfs/dbraw/zinc/37/35/90/557373590.db2.gz BUPHVJQGYPALSB-UHFFFAOYSA-N 0 3 359.474 2.486 20 30 FEEDHN Cc1cc(NC(=O)NC2CCN(C3CC3)CC2)nn1-c1cccc(C#N)c1 ZINC000372483317 557482295 /nfs/dbraw/zinc/48/22/95/557482295.db2.gz UIFDBXMYVLIQSZ-UHFFFAOYSA-N 0 3 364.453 2.801 20 30 FEEDHN C[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000372553501 557502747 /nfs/dbraw/zinc/50/27/47/557502747.db2.gz PYCCJDFMSPOCGW-BRWVUGGUSA-N 0 3 355.486 2.253 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CCN(Cc2ccncc2)CC1 ZINC000372582530 557511863 /nfs/dbraw/zinc/51/18/63/557511863.db2.gz HKMLPJHXMQJCSQ-FQEVSTJZSA-N 0 3 357.502 2.032 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)N2CCCN([C@H](C)CO)CC2)cc1C#N ZINC000372721614 557546926 /nfs/dbraw/zinc/54/69/26/557546926.db2.gz XYHJEXSDUSNNCG-OAHLLOKOSA-N 0 3 360.458 2.266 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(N2CCN(C)CC2)CCCCCC1 ZINC000373322650 557672430 /nfs/dbraw/zinc/67/24/30/557672430.db2.gz WCLOXDMATGNIEQ-RTBURBONSA-N 0 3 363.546 2.424 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000373883400 557779958 /nfs/dbraw/zinc/77/99/58/557779958.db2.gz XBTBJONYKWDHDP-AEFFLSMTSA-N 0 3 362.518 2.117 20 30 FEEDHN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000374827942 557937353 /nfs/dbraw/zinc/93/73/53/557937353.db2.gz ORMWYKJEKNPXTI-FUHWJXTLSA-N 0 3 353.426 2.153 20 30 FEEDHN C=CCN1CC[C@H](N[C@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)C1=O ZINC000374845482 557939833 /nfs/dbraw/zinc/93/98/33/557939833.db2.gz WNSMRPARZLJESR-UFYCRDLUSA-N 0 3 355.482 2.350 20 30 FEEDHN N#CC1(CCCN2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCOCC1 ZINC000375597664 558054891 /nfs/dbraw/zinc/05/48/91/558054891.db2.gz NGMYLWSODDEVOK-UHFFFAOYSA-N 0 3 372.469 2.124 20 30 FEEDHN C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000376318757 558157312 /nfs/dbraw/zinc/15/73/12/558157312.db2.gz BERRJIZSPOIIHS-ZBFHGGJFSA-N 0 3 359.451 2.340 20 30 FEEDHN C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000376318757 558157314 /nfs/dbraw/zinc/15/73/14/558157314.db2.gz BERRJIZSPOIIHS-ZBFHGGJFSA-N 0 3 359.451 2.340 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C3CC3)C2)cc1 ZINC000376588846 558194632 /nfs/dbraw/zinc/19/46/32/558194632.db2.gz OORLDIGGYDDXPM-BLLLJJGKSA-N 0 3 363.439 2.015 20 30 FEEDHN C#Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 ZINC000377710236 558402791 /nfs/dbraw/zinc/40/27/91/558402791.db2.gz WJDSVVYZTHKBLT-MRXNPFEDSA-N 0 3 358.467 2.142 20 30 FEEDHN CN1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000377758145 558413351 /nfs/dbraw/zinc/41/33/51/558413351.db2.gz BIJKNKFDYRSMCU-WMLDXEAASA-N 0 3 368.462 2.367 20 30 FEEDHN CC(C#N)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000522977703 562206881 /nfs/dbraw/zinc/20/68/81/562206881.db2.gz PYFIKSMEMUPCEN-SNVBAGLBSA-N 0 3 373.272 2.277 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000409496823 558697679 /nfs/dbraw/zinc/69/76/79/558697679.db2.gz YUXWOCCBAMGZET-AEFFLSMTSA-N 0 3 364.515 2.109 20 30 FEEDHN N#Cc1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)ccc1C(F)(F)F ZINC000409578610 558704660 /nfs/dbraw/zinc/70/46/60/558704660.db2.gz YCHVIXBIIKSQSE-LLVKDONJSA-N 0 3 373.400 2.340 20 30 FEEDHN Cc1cc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)ccc1CN(C)C ZINC000411267338 558864151 /nfs/dbraw/zinc/86/41/51/558864151.db2.gz RDHJKUHUOWAPCG-UHFFFAOYSA-N 0 3 368.412 2.322 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000411340802 558880290 /nfs/dbraw/zinc/88/02/90/558880290.db2.gz OQSVCLGTHBYHJY-UHFFFAOYSA-N 0 3 351.422 2.129 20 30 FEEDHN N#Cc1ccccc1COc1cccc(CN2CC[C@H](O)[C@H](CO)C2)c1 ZINC000414551519 559171007 /nfs/dbraw/zinc/17/10/07/559171007.db2.gz BNIMPCQPZNETME-FPOVZHCZSA-N 0 3 352.434 2.312 20 30 FEEDHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000415381288 559229244 /nfs/dbraw/zinc/22/92/44/559229244.db2.gz NIKVASZAQQVCNS-SFHVURJKSA-N 0 3 350.422 2.436 20 30 FEEDHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)Nc2sccc2C#N)cc1 ZINC000415384489 559229711 /nfs/dbraw/zinc/22/97/11/559229711.db2.gz UATMYKMSPYWUMC-HNNXBMFYSA-N 0 3 356.451 2.498 20 30 FEEDHN N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000415833951 559276536 /nfs/dbraw/zinc/27/65/36/559276536.db2.gz IHVZXFPTOOJKIU-OAHLLOKOSA-N 0 3 360.483 2.265 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCNC[C@@H]1c1cccnc1)C(C)C ZINC000417061771 559346321 /nfs/dbraw/zinc/34/63/21/559346321.db2.gz LGORUGZVHYRSFZ-VQTJNVASSA-N 0 3 371.529 2.436 20 30 FEEDHN COCCNCCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417983874 559385063 /nfs/dbraw/zinc/38/50/63/559385063.db2.gz LZDHVTHOMSWNNA-UHFFFAOYSA-N 0 3 352.438 2.260 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c(C#N)cn1CC ZINC000421172325 559528625 /nfs/dbraw/zinc/52/86/25/559528625.db2.gz JLXUSLXHMJUASV-HIFRSBDPSA-N 0 3 373.457 2.114 20 30 FEEDHN CC[C@H](C(=O)N1CCC(NC(=O)[C@@H](N)CCCC#N)CC1)c1ccccc1 ZINC000424109960 559655014 /nfs/dbraw/zinc/65/50/14/559655014.db2.gz BNZJVQBFLKDENQ-OALUTQOASA-N 0 3 370.497 2.309 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(NC(=O)[C@H](N)CCCC#N)c1)n1cccn1 ZINC000424106262 559655106 /nfs/dbraw/zinc/65/51/06/559655106.db2.gz XHXKQLGPUDUELA-CZUORRHYSA-N 0 3 354.414 2.042 20 30 FEEDHN COc1cc(Br)c(CNC(=O)[C@H](N)CCCC#N)cc1OC ZINC000424110113 559655119 /nfs/dbraw/zinc/65/51/19/559655119.db2.gz BZVVZKJXQCEZNO-GFCCVEGCSA-N 0 3 370.247 2.104 20 30 FEEDHN CC(C)(C)c1nc(CN2CCN(C(=O)[C@@H](N)CCCC#N)CC2)cs1 ZINC000424137517 559655926 /nfs/dbraw/zinc/65/59/26/559655926.db2.gz SDDZLACICPWRKQ-HNNXBMFYSA-N 0 3 363.531 2.106 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000424168210 559656639 /nfs/dbraw/zinc/65/66/39/559656639.db2.gz HZYWEPFYLGHGAW-AWEZNQCLSA-N 0 3 354.223 2.494 20 30 FEEDHN C=CCCn1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)nn1 ZINC000424583257 559670118 /nfs/dbraw/zinc/67/01/18/559670118.db2.gz LGSAPJXCPORWMW-UHFFFAOYSA-N 0 3 353.470 2.291 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000425389827 559699644 /nfs/dbraw/zinc/69/96/44/559699644.db2.gz VGJYATHMWPZHHP-APWZRJJASA-N 0 3 368.481 2.164 20 30 FEEDHN C=CCn1cc(CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)nn1 ZINC000425586655 559710968 /nfs/dbraw/zinc/71/09/68/559710968.db2.gz LZSDNVIQQAULKE-UHFFFAOYSA-N 0 3 368.485 2.318 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000425910558 559725070 /nfs/dbraw/zinc/72/50/70/559725070.db2.gz WNSIXIJMVVPWFB-YJBOKZPZSA-N 0 3 370.497 2.314 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428771197 559782938 /nfs/dbraw/zinc/78/29/38/559782938.db2.gz HMESZXYBEGVBMY-UWJYYQICSA-N 0 3 356.466 2.392 20 30 FEEDHN CN1CCN(CCCNC(=O)c2ccc(C#N)o2)[C@@H](c2ccccc2)C1 ZINC000429855649 559807263 /nfs/dbraw/zinc/80/72/63/559807263.db2.gz DJBMVRRGQQAQEA-GOSISDBHSA-N 0 3 352.438 2.260 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000432059981 559851127 /nfs/dbraw/zinc/85/11/27/559851127.db2.gz ILZKMFKUZCNTTD-UHFFFAOYSA-N 0 3 355.373 2.455 20 30 FEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@H](CCCC#N)c2ccccc2)C1 ZINC000433014517 559869945 /nfs/dbraw/zinc/86/99/45/559869945.db2.gz SJBAIEDEPAWYRY-RTBURBONSA-N 0 3 356.470 2.138 20 30 FEEDHN CS(=O)(=O)c1ccc(CNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433318326 559876839 /nfs/dbraw/zinc/87/68/39/559876839.db2.gz NVJACDZFXSUNSW-KRWDZBQOSA-N 0 3 356.447 2.479 20 30 FEEDHN CCCN(CC)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433866832 559888997 /nfs/dbraw/zinc/88/89/97/559888997.db2.gz XBEIXDOLIONFAQ-UHFFFAOYSA-N 0 3 374.304 2.331 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434748314 559908300 /nfs/dbraw/zinc/90/83/00/559908300.db2.gz RKZHOHSMQKIMLE-MCNSAMFCSA-N 0 3 371.529 2.449 20 30 FEEDHN COC(=O)[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1C ZINC000434983828 559913813 /nfs/dbraw/zinc/91/38/13/559913813.db2.gz UKAUQTZBRXKIEQ-RHSMWYFYSA-N 0 3 353.426 2.242 20 30 FEEDHN CNC(=O)CC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435131004 559916912 /nfs/dbraw/zinc/91/69/12/559916912.db2.gz AHYBHPMIKDBWKP-UHFFFAOYSA-N 0 3 366.469 2.207 20 30 FEEDHN C=CCN(C(=O)NCCN(C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441316738 560028486 /nfs/dbraw/zinc/02/84/86/560028486.db2.gz UVIXJWSWAHSQBX-HNNXBMFYSA-N 0 3 369.473 2.015 20 30 FEEDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1ccc(C#N)cc1OC ZINC000527415171 562287936 /nfs/dbraw/zinc/28/79/36/562287936.db2.gz DLOJPTMBKYNVMR-UHFFFAOYSA-N 0 3 360.458 2.086 20 30 FEEDHN CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448601506 560192099 /nfs/dbraw/zinc/19/20/99/560192099.db2.gz UQXXBXYDHNJMMQ-CQSZACIVSA-N 0 3 374.872 2.165 20 30 FEEDHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N(C)C1CC1 ZINC000448891645 560205177 /nfs/dbraw/zinc/20/51/77/560205177.db2.gz UVOSAMLYXGPAJG-JSGCOSHPSA-N 0 3 374.872 2.163 20 30 FEEDHN CCCN(CCN(C)C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449846631 560242502 /nfs/dbraw/zinc/24/25/02/560242502.db2.gz ZPCNZOAAHYWMNH-UHFFFAOYSA-N 0 3 368.275 2.500 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529624 560312422 /nfs/dbraw/zinc/31/24/22/560312422.db2.gz NMQOQRONMDZODS-GOSISDBHSA-N 0 3 372.488 2.464 20 30 FEEDHN CC(C)(C)CC(C)(C)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000451897763 560335506 /nfs/dbraw/zinc/33/55/06/560335506.db2.gz DSTBNVVPUZBJCG-UHFFFAOYSA-N 0 3 361.534 2.475 20 30 FEEDHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453578417 560389496 /nfs/dbraw/zinc/38/94/96/560389496.db2.gz OJZMQRQISGRUPZ-UHFFFAOYSA-N 0 3 360.458 2.130 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000453614895 560391313 /nfs/dbraw/zinc/39/13/13/560391313.db2.gz PVGSLFRYDCGJCG-XHSDSOJGSA-N 0 3 356.470 2.288 20 30 FEEDHN CC(C)N(C)CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453638855 560392602 /nfs/dbraw/zinc/39/26/02/560392602.db2.gz DLRIQDMLCLLHDD-UHFFFAOYSA-N 0 3 350.488 2.312 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453650637 560393429 /nfs/dbraw/zinc/39/34/29/560393429.db2.gz HYKAGTHKUAYGGH-AWEZNQCLSA-N 0 3 362.861 2.335 20 30 FEEDHN CCCCN(C)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453651805 560393624 /nfs/dbraw/zinc/39/36/24/560393624.db2.gz YWTLWJFUIOEXCT-UHFFFAOYSA-N 0 3 350.850 2.193 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)c1 ZINC000453681223 560396267 /nfs/dbraw/zinc/39/62/67/560396267.db2.gz ZJRBCHCGDDSWHI-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453700003 560397749 /nfs/dbraw/zinc/39/77/49/560397749.db2.gz QTHYTPWSRNWMBH-INIZCTEOSA-N 0 3 364.449 2.328 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756008 560401947 /nfs/dbraw/zinc/40/19/47/560401947.db2.gz XTFXFGLOLPSFIO-UKRRQHHQSA-N 0 3 374.872 2.430 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000454455485 560445189 /nfs/dbraw/zinc/44/51/89/560445189.db2.gz CIKJTBWDSCWJOD-INIZCTEOSA-N 0 3 364.534 2.350 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000456746505 560531728 /nfs/dbraw/zinc/53/17/28/560531728.db2.gz DNAROKJWSRKDOG-VQTJNVASSA-N 0 3 361.445 2.329 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000458331022 560615325 /nfs/dbraw/zinc/61/53/25/560615325.db2.gz HKJGYTPCNVKMCS-UYAOXDASSA-N 0 3 361.461 2.146 20 30 FEEDHN CC(C)(CC#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000459257788 560676408 /nfs/dbraw/zinc/67/64/08/560676408.db2.gz KOROTWYWFAFNNR-MSOLQXFVSA-N 0 3 358.486 2.108 20 30 FEEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000461944952 560789128 /nfs/dbraw/zinc/78/91/28/560789128.db2.gz WNEHEBKCNUVKDZ-IPELMVKDSA-N 0 3 356.470 2.135 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000462139724 560798997 /nfs/dbraw/zinc/79/89/97/560798997.db2.gz ZCJVCXZOAJLKEF-CVEARBPZSA-N 0 3 356.470 2.451 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000463574591 560819078 /nfs/dbraw/zinc/81/90/78/560819078.db2.gz OXKIZFSQBXXZKM-GOSISDBHSA-N 0 3 350.484 2.427 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCC1(N(C)C)CCCCC1 ZINC000463675704 560820906 /nfs/dbraw/zinc/82/09/06/560820906.db2.gz PZLBOGDADHLPTJ-UHFFFAOYSA-N 0 3 351.472 2.110 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C(=O)OC)[C@@H]1C)C(C)C ZINC000468434047 560929873 /nfs/dbraw/zinc/92/98/73/560929873.db2.gz CHOAOTDYPYMELI-GVDBMIGSSA-N 0 3 351.491 2.278 20 30 FEEDHN CCNC(=O)c1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000470838714 560991127 /nfs/dbraw/zinc/99/11/27/560991127.db2.gz BIPDTDWERQGKOV-IBGZPJMESA-N 0 3 360.417 2.307 20 30 FEEDHN CN(CC(=O)NCc1ccccc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470965370 560995463 /nfs/dbraw/zinc/99/54/63/560995463.db2.gz CBLBRILRONCYPM-IBGZPJMESA-N 0 3 360.417 2.015 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000471555537 561007089 /nfs/dbraw/zinc/00/70/89/561007089.db2.gz MJYVXXDFVRZSIV-GOSISDBHSA-N 0 3 360.417 2.295 20 30 FEEDHN CN(C)CCOCCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000471649080 561009643 /nfs/dbraw/zinc/00/96/43/561009643.db2.gz NQILPZHLPZOYQA-UHFFFAOYSA-N 0 3 374.363 2.199 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(CCO)C2CC2)c1C#N ZINC000472439200 561026522 /nfs/dbraw/zinc/02/65/22/561026522.db2.gz LGCVTPUVVWIQST-UHFFFAOYSA-N 0 3 370.453 2.403 20 30 FEEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528358236 562324745 /nfs/dbraw/zinc/32/47/45/562324745.db2.gz KJAORAGAKRYMLY-QXAKKESOSA-N 0 3 373.497 2.315 20 30 FEEDHN COc1cc2c(c(OC)c1OC)CCN(C[C@@H](O)CC1(C#N)CC1)CC2 ZINC000528406825 562327360 /nfs/dbraw/zinc/32/73/60/562327360.db2.gz ZGJNXCODVQVHIA-HNNXBMFYSA-N 0 3 360.454 2.168 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000528438821 562329273 /nfs/dbraw/zinc/32/92/73/562329273.db2.gz NFFYUHXHLIQMKY-UYAOXDASSA-N 0 3 356.397 2.031 20 30 FEEDHN N#CC1(C[C@H](O)CN2CC[C@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502652 562332969 /nfs/dbraw/zinc/33/29/69/562332969.db2.gz JZSHEZPMCWWQLS-IRXDYDNUSA-N 0 3 356.470 2.190 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(CO)(c2ccccc2)CC1 ZINC000528510637 562333290 /nfs/dbraw/zinc/33/32/90/562333290.db2.gz DJGUISIXCGITCR-FQEVSTJZSA-N 0 3 366.461 2.324 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000528799734 562348513 /nfs/dbraw/zinc/34/85/13/562348513.db2.gz QJLVROWJOINECZ-CALCHBBNSA-N 0 3 370.497 2.234 20 30 FEEDHN COc1cc(OCCN(C)C)ccc1NC(=O)Cc1ccc(C#N)nc1 ZINC000529485160 562375102 /nfs/dbraw/zinc/37/51/02/562375102.db2.gz CKURXESPXMSOLT-UHFFFAOYSA-N 0 3 354.410 2.083 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(c3c(C#N)nnc4ccccc43)C2)CC1 ZINC000532093084 562466790 /nfs/dbraw/zinc/46/67/90/562466790.db2.gz PQBWCYNOFQRPSG-INIZCTEOSA-N 0 3 350.470 2.106 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)C2(C#N)CC(C)C2)CC1 ZINC000532323143 562473935 /nfs/dbraw/zinc/47/39/35/562473935.db2.gz CHOJPCSAWZXROL-UHFFFAOYSA-N 0 3 354.498 2.380 20 30 FEEDHN CCC1(CC)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000533482588 562510498 /nfs/dbraw/zinc/51/04/98/562510498.db2.gz UAVSIDDKLLEINW-UHFFFAOYSA-N 0 3 359.474 2.015 20 30 FEEDHN C[C@@H]1CCN(C)CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000535079287 562550687 /nfs/dbraw/zinc/55/06/87/562550687.db2.gz LMWSFZPRUMCDLE-FAEJEUNOSA-N 0 3 371.485 2.379 20 30 FEEDHN N#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)s1 ZINC000536434015 562575445 /nfs/dbraw/zinc/57/54/45/562575445.db2.gz UNPPWLCGCGNVIW-NVXWUHKLSA-N 0 3 355.463 2.233 20 30 FEEDHN N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CCN(C4CC4)C3)CC2)nc1 ZINC000536651858 562580461 /nfs/dbraw/zinc/58/04/61/562580461.db2.gz MCIDAYZQJODTEN-UPTPFMHGSA-N 0 3 369.469 2.179 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](CO)c2cccc(Cl)c2F)CC1 ZINC000540978638 562599393 /nfs/dbraw/zinc/59/93/93/562599393.db2.gz ZWXDANBGTYCLKN-HNNXBMFYSA-N 0 3 355.841 2.462 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCCNC(=O)c1c(F)cccc1F ZINC000602544981 567990048 /nfs/dbraw/zinc/99/00/48/567990048.db2.gz GHKFCUGKXPIPFI-CYBMUJFWSA-N 0 3 351.397 2.383 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1CS(C)(=O)=O ZINC000602562113 567991765 /nfs/dbraw/zinc/99/17/65/567991765.db2.gz HLBOGRCRDIFDFK-HNNXBMFYSA-N 0 3 350.484 2.420 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000602573037 567996357 /nfs/dbraw/zinc/99/63/57/567996357.db2.gz XDJGHFHNORFOMH-AWEZNQCLSA-N 0 3 354.223 2.494 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000602616995 567998135 /nfs/dbraw/zinc/99/81/35/567998135.db2.gz MALZDKJDYANDMP-OAHLLOKOSA-N 0 3 362.449 2.246 20 30 FEEDHN C[C@@H]1CN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C[C@H](C)N1CC#N ZINC000602848990 568000807 /nfs/dbraw/zinc/00/08/07/568000807.db2.gz JBIRZBFGOTWYBE-HLVUACMISA-N 0 3 365.518 2.168 20 30 FEEDHN COc1ccc(N2C[C@H](N[C@H](C)CC3(C#N)CCOCC3)CC2=O)cc1 ZINC000602709898 568018855 /nfs/dbraw/zinc/01/88/55/568018855.db2.gz JPPZFKBYMPPMDM-HZPDHXFCSA-N 0 3 357.454 2.489 20 30 FEEDHN Cc1nccc([C@H]2CCCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000603834462 568158783 /nfs/dbraw/zinc/15/87/83/568158783.db2.gz VARWMHPXYCRZHT-OALUTQOASA-N 0 3 366.465 2.470 20 30 FEEDHN N#Cc1ccc(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000569592052 568408687 /nfs/dbraw/zinc/40/86/87/568408687.db2.gz ORGICRKSQIWSSV-LJQANCHMSA-N 0 3 370.478 2.056 20 30 FEEDHN C[C@H]1COCCN1C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000569588349 568408737 /nfs/dbraw/zinc/40/87/37/568408737.db2.gz LEQKYRUDHKCCFE-AWEZNQCLSA-N 0 3 362.499 2.133 20 30 FEEDHN C=CCCCCCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000807572548 674420512 /nfs/dbraw/zinc/42/05/12/674420512.db2.gz LEHBSHSHBKCWRD-KRWDZBQOSA-N 0 3 350.507 2.071 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OCC)CC1 ZINC000735425375 598391963 /nfs/dbraw/zinc/39/19/63/598391963.db2.gz AIQWFARWQFSPCX-UHFFFAOYSA-N 0 3 371.445 2.037 20 30 FEEDHN Cc1ccc(C#N)nc1N1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826281063 608543503 /nfs/dbraw/zinc/54/35/03/608543503.db2.gz BUFWOFNFXURDEE-UHFFFAOYSA-N 0 3 374.452 2.154 20 30 FEEDHN Cc1ccc(C#N)nc1N1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826281063 608543504 /nfs/dbraw/zinc/54/35/04/608543504.db2.gz BUFWOFNFXURDEE-UHFFFAOYSA-N 0 3 374.452 2.154 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccccc3F)C2)nc1 ZINC000563003096 674833785 /nfs/dbraw/zinc/83/37/85/674833785.db2.gz PEUCAVGCHPAEGR-SHTZXODSSA-N 0 3 359.426 2.402 20 30 FEEDHN CC[C@@H]1[C@@H](NC(=O)Cc2nc[nH]c2C)CCN1c1snc(C)c1C#N ZINC001048767289 675014655 /nfs/dbraw/zinc/01/46/55/675014655.db2.gz RDDWMVRCXHACSQ-DZGCQCFKSA-N 0 3 358.471 2.071 20 30 FEEDHN CC[C@@H](CC#N)NC[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816570588 675065773 /nfs/dbraw/zinc/06/57/73/675065773.db2.gz ZLVWIJSFSZAKER-GJZGRUSLSA-N 0 3 352.479 2.032 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000570202437 670677899 /nfs/dbraw/zinc/67/78/99/670677899.db2.gz IUPFOWGZFMWDRM-HZPDHXFCSA-N 0 3 367.291 2.091 20 30 FEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000580725927 671827440 /nfs/dbraw/zinc/82/74/40/671827440.db2.gz GRBBSMMXQJHTSH-ZDUSSCGKSA-N 0 3 362.861 2.387 20 30 FEEDHN Cc1ccc(C(=O)CCC(=O)CCC(=O)C(C#N)C(=O)NC2CC2)s1 ZINC000129582905 672064081 /nfs/dbraw/zinc/06/40/81/672064081.db2.gz UJSITQFLHCCBLA-AWEZNQCLSA-N 0 3 360.435 2.356 20 30 FEEDHN CN(C)[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000583989342 672144998 /nfs/dbraw/zinc/14/49/98/672144998.db2.gz YCOMITPLFJKNQY-IBGZPJMESA-N 0 3 363.527 2.432 20 30 FEEDHN CC(=O)N[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1cccs1 ZINC000138894280 672145192 /nfs/dbraw/zinc/14/51/92/672145192.db2.gz FCKJDASHOSEQLI-STQMWFEESA-N 0 3 356.407 2.058 20 30 FEEDHN CCO[C@H]1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1(CC)CC ZINC000584017536 672147803 /nfs/dbraw/zinc/14/78/03/672147803.db2.gz WKLKXMGSBQWGQQ-HOTGVXAUSA-N 0 3 365.499 2.300 20 30 FEEDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000590588219 672592717 /nfs/dbraw/zinc/59/27/17/672592717.db2.gz DTRASINMQZMXOY-HZMBPMFUSA-N 0 3 372.288 2.034 20 30 FEEDHN N#Cc1cc(Br)cnc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000590685663 672601745 /nfs/dbraw/zinc/60/17/45/672601745.db2.gz KWWRJUXESXIPRU-HNNXBMFYSA-N 0 3 365.275 2.407 20 30 FEEDHN CN1CC[C@@](O)(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000680831680 672605292 /nfs/dbraw/zinc/60/52/92/672605292.db2.gz KPPDZIADHIBZBA-LJQANCHMSA-N 0 3 355.463 2.336 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CNCc1cc(Cl)cc(Br)c1 ZINC000591771030 672709886 /nfs/dbraw/zinc/70/98/86/672709886.db2.gz MUQKGBHXRMIGJV-AWEZNQCLSA-N 0 3 360.683 2.398 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000246558421 672839018 /nfs/dbraw/zinc/83/90/18/672839018.db2.gz LRYBOIFQQZSSDH-AEGPPILISA-N 0 3 350.365 2.320 20 30 FEEDHN O=C(NCCNCc1cccc(Br)c1)C1N=CC=CC1=O ZINC000255341946 672889092 /nfs/dbraw/zinc/88/90/92/672889092.db2.gz AMKADNJLRRNALB-CCEZHUSRSA-N 0 3 350.216 2.065 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000594428177 673070741 /nfs/dbraw/zinc/07/07/41/673070741.db2.gz LOPGINGRQSWVKG-ZDUSSCGKSA-N 0 3 356.348 2.328 20 30 FEEDHN COC(=O)c1cc(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)c[nH]1 ZINC000594425948 673070953 /nfs/dbraw/zinc/07/09/53/673070953.db2.gz BSBMZAICXRKXKH-LLVKDONJSA-N 0 3 361.427 2.275 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000594434757 673071284 /nfs/dbraw/zinc/07/12/84/673071284.db2.gz SNDIDGZCUBZFIO-CQSZACIVSA-N 0 3 361.833 2.460 20 30 FEEDHN COc1ccc(Br)cc1CNC(=O)[C@H](N)CCCCC#N ZINC000594437360 673071800 /nfs/dbraw/zinc/07/18/00/673071800.db2.gz LQDIFUDVWOUSHT-CYBMUJFWSA-N 0 3 354.248 2.485 20 30 FEEDHN COc1ccc(Br)cc1CNC(=O)[C@@H](N)CCCCC#N ZINC000594437362 673071982 /nfs/dbraw/zinc/07/19/82/673071982.db2.gz LQDIFUDVWOUSHT-ZDUSSCGKSA-N 0 3 354.248 2.485 20 30 FEEDHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594445590 673073006 /nfs/dbraw/zinc/07/30/06/673073006.db2.gz IJEDLGUMIMBZAW-CZUORRHYSA-N 0 3 366.487 2.113 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000595255937 673214222 /nfs/dbraw/zinc/21/42/22/673214222.db2.gz GUWIZZUUNOEULC-HNNXBMFYSA-N 0 3 365.275 2.119 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCCN1CCO[C@H](C)C1 ZINC000729682821 673243538 /nfs/dbraw/zinc/24/35/38/673243538.db2.gz AQIYXTRHMQQJNI-CQSZACIVSA-N 0 3 367.287 2.271 20 30 FEEDHN COC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1 ZINC000595614828 673273668 /nfs/dbraw/zinc/27/36/68/673273668.db2.gz IYUKZAZUYVRRPD-INIZCTEOSA-N 0 3 351.834 2.181 20 30 FEEDHN C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000732200785 673357231 /nfs/dbraw/zinc/35/72/31/673357231.db2.gz PJXPGVMQPKVPBK-AGIUHOORSA-N 0 3 356.451 2.058 20 30 FEEDHN CCOCCCN1CCC(=NNS(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000735224028 673486531 /nfs/dbraw/zinc/48/65/31/673486531.db2.gz KMSLLGGPNDPCFC-MRXNPFEDSA-N 0 3 367.515 2.398 20 30 FEEDHN N#Cc1ccc2c(c1)CCN2C(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000597777993 673506006 /nfs/dbraw/zinc/50/60/06/673506006.db2.gz TXDRSLRPUFONKE-KBPBESRZSA-N 0 3 354.328 2.431 20 30 FEEDHN N#Cc1ccc2c(c1)CCN2C(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000597777998 673506117 /nfs/dbraw/zinc/50/61/17/673506117.db2.gz TXDRSLRPUFONKE-KGLIPLIRSA-N 0 3 354.328 2.431 20 30 FEEDHN CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCN(C)C1 ZINC000597947453 673522692 /nfs/dbraw/zinc/52/26/92/673522692.db2.gz YSAVOALSHUZAHZ-CYBMUJFWSA-N 0 3 366.259 2.252 20 30 FEEDHN COC(=O)c1cnc([C@@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598628214 673592742 /nfs/dbraw/zinc/59/27/42/673592742.db2.gz LSGVRCGRSAIOTP-OLZOCXBDSA-N 0 3 351.472 2.410 20 30 FEEDHN COC1(C(F)(F)F)CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599439286 673675598 /nfs/dbraw/zinc/67/55/98/673675598.db2.gz NAYQQLKQCMHRRX-CYBMUJFWSA-N 0 3 350.381 2.101 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@@H](C)C1 ZINC000601357015 673847569 /nfs/dbraw/zinc/84/75/69/673847569.db2.gz YGJLMWQUTYQBDV-BBRMVZONSA-N 0 3 353.463 2.357 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000601374140 673850841 /nfs/dbraw/zinc/85/08/41/673850841.db2.gz BHCMFXGYJGRTSO-CJNGLKHVSA-N 0 3 351.447 2.111 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000601415020 673858406 /nfs/dbraw/zinc/85/84/06/673858406.db2.gz PGYUEHNCLGRZFP-CZUORRHYSA-N 0 3 351.447 2.253 20 30 FEEDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000601422771 673860002 /nfs/dbraw/zinc/86/00/02/673860002.db2.gz YNHWRLQVGRTGJK-ZWNOBZJWSA-N 0 3 372.288 2.034 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000818584727 675226031 /nfs/dbraw/zinc/22/60/31/675226031.db2.gz WCWALPMFCLEMKY-LJQANCHMSA-N 0 3 351.491 2.095 20 30 FEEDHN C=CC[C@H](CO)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000567298663 675282293 /nfs/dbraw/zinc/28/22/93/675282293.db2.gz KUFQYHZKGNQIIR-IRXDYDNUSA-N 0 3 352.425 2.445 20 30 FEEDHN C#CCN(C)CCCNCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000819335470 675282417 /nfs/dbraw/zinc/28/24/17/675282417.db2.gz YCWDHEOEVNLTGB-UHFFFAOYSA-N 0 3 350.528 2.303 20 30 FEEDHN Cc1ccccc1OCCCNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000567678935 675311624 /nfs/dbraw/zinc/31/16/24/675311624.db2.gz FJELFUISHIFUEP-UHFFFAOYSA-N 0 3 359.451 2.094 20 30 FEEDHN C#C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)c1ccc(Cl)cc1F ZINC000820750081 675385056 /nfs/dbraw/zinc/38/50/56/675385056.db2.gz KEDHLQGRHAPUCV-PBHICJAKSA-N 0 3 367.852 2.299 20 30 FEEDHN C=CCc1cc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc(OC)c1O ZINC000623670388 676546019 /nfs/dbraw/zinc/54/60/19/676546019.db2.gz OCVHNUCWCQVNEC-HZPDHXFCSA-N 0 3 368.499 2.079 20 30 FEEDHN C[C@@]12CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000639950811 677169774 /nfs/dbraw/zinc/16/97/74/677169774.db2.gz DSDXKSFCMKXLCO-IRXDYDNUSA-N 0 3 350.340 2.042 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000838624157 680706718 /nfs/dbraw/zinc/70/67/18/680706718.db2.gz JSPKRLDZERBASB-UHFFFAOYSA-N 0 3 356.329 2.273 20 30 FEEDHN C#C[C@@H]1COCCN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000838902004 680726740 /nfs/dbraw/zinc/72/67/40/680726740.db2.gz WVXCFKZPLWKIMZ-GOSISDBHSA-N 0 3 359.495 2.144 20 30 FEEDHN COCc1nn(C)cc1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000835064992 680292549 /nfs/dbraw/zinc/29/25/49/680292549.db2.gz JLAUGZCHONFASI-SNVBAGLBSA-N 0 3 364.764 2.320 20 30 FEEDHN C=C(Br)CNC1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000996829756 680342432 /nfs/dbraw/zinc/34/24/32/680342432.db2.gz GYGJIHNFPQWRMA-CABCVRRESA-N 0 3 357.292 2.291 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001032041720 680411616 /nfs/dbraw/zinc/41/16/16/680411616.db2.gz YFGJUAQVTBSFQW-BZSNNMDCSA-N 0 3 350.503 2.221 20 30 FEEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ncnc2c1c(Br)nn2C ZINC000755890701 680442938 /nfs/dbraw/zinc/44/29/38/680442938.db2.gz YBBBMZFZGGCVNG-QMMMGPOBSA-N 0 3 364.251 2.008 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000836317618 680450200 /nfs/dbraw/zinc/45/02/00/680450200.db2.gz GFDHUPNVUBZBMK-KGLIPLIRSA-N 0 3 354.495 2.238 20 30 FEEDHN C[C@H]1CC(N=Nc2ccc(S(N)(=O)=O)cc2)CN1Cc1ccccc1 ZINC000757560128 680526099 /nfs/dbraw/zinc/52/60/99/680526099.db2.gz DFZTUYYLQPFXRK-AWEZNQCLSA-N 0 3 358.467 2.396 20 30 FEEDHN N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3CNCCO3)c2)s1 ZINC000841831480 680914194 /nfs/dbraw/zinc/91/41/94/680914194.db2.gz UMSXWXMTOUJICV-OAHLLOKOSA-N 0 3 356.451 2.074 20 30 FEEDHN C=CCN1CC[C@H](N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)C1=O ZINC000932709670 681293855 /nfs/dbraw/zinc/29/38/55/681293855.db2.gz XIGYMMBREBGZCV-PMPSAXMXSA-N 0 3 351.491 2.256 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)N[C@@H](CC#N)C(F)(F)F)CC1 ZINC000932917554 681327942 /nfs/dbraw/zinc/32/79/42/681327942.db2.gz VEINXRSHZFSAFO-ZDUSSCGKSA-N 0 3 350.385 2.020 20 30 FEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CCCO[C@H]1C(C)C)CCO2 ZINC000949099065 681617384 /nfs/dbraw/zinc/61/73/84/681617384.db2.gz UWFCUUVVNKICIO-ROUUACIJSA-N 0 3 350.503 2.317 20 30 FEEDHN CN(C)[S@](C)(=O)=NCC1CCN(CCOc2ccccc2C#N)CC1 ZINC000934759524 681625092 /nfs/dbraw/zinc/62/50/92/681625092.db2.gz KIPWMYAKAHPXGW-RUZDIDTESA-N 0 3 364.515 2.223 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000779351003 681707083 /nfs/dbraw/zinc/70/70/83/681707083.db2.gz MDHDURMLTVSINY-CQSZACIVSA-N 0 3 354.495 2.239 20 30 FEEDHN CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccccc2C#N)CC1 ZINC000851745199 682117618 /nfs/dbraw/zinc/11/76/18/682117618.db2.gz CBTHAOLCOCJBOO-KRWDZBQOSA-N 0 3 367.386 2.265 20 30 FEEDHN C=CCS(=O)(=O)CCNC(=O)NCC1(N2CCCCC2)CCCCC1 ZINC000783160000 682118727 /nfs/dbraw/zinc/11/87/27/682118727.db2.gz NRSOEAFRJZNWJN-UHFFFAOYSA-N 0 3 371.547 2.075 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000915892158 685519214 /nfs/dbraw/zinc/51/92/14/685519214.db2.gz CJDUOJSEWYTQRM-IBGZPJMESA-N 0 3 361.511 2.423 20 30 FEEDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C1 ZINC000916664308 685526755 /nfs/dbraw/zinc/52/67/55/685526755.db2.gz VKOGCEFZVONCQW-OLZOCXBDSA-N 0 3 373.400 2.149 20 30 FEEDHN COC(=O)C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000916985074 685528832 /nfs/dbraw/zinc/52/88/32/685528832.db2.gz ZXHMXZITJVJMSZ-ZDUSSCGKSA-N 0 3 357.435 2.358 20 30 FEEDHN C#CCOCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000784601024 682240906 /nfs/dbraw/zinc/24/09/06/682240906.db2.gz JXKKXUXRHAKNSA-QGZVFWFLSA-N 0 3 354.372 2.207 20 30 FEEDHN CC[C@@H]1C[C@H](C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)CCO1 ZINC000786558703 682385457 /nfs/dbraw/zinc/38/54/57/682385457.db2.gz RAAWIMLCZFLIRB-DFBGVHRSSA-N 0 3 350.365 2.495 20 30 FEEDHN CC[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H](C)N1 ZINC000856407592 682776723 /nfs/dbraw/zinc/77/67/23/682776723.db2.gz UMTIFLMTBCZCOC-RRFJBIMHSA-N 0 3 352.479 2.172 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000794165081 682942319 /nfs/dbraw/zinc/94/23/19/682942319.db2.gz OBUAHYGUUNAXJC-GFCCVEGCSA-N 0 3 350.260 2.367 20 30 FEEDHN CC(=NNC(=S)NC1CCN(Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000794846556 682999012 /nfs/dbraw/zinc/99/90/12/682999012.db2.gz HUHBSXXENYINNS-UHFFFAOYSA-N 0 3 356.499 2.262 20 30 FEEDHN N#CC(C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796891270 683204586 /nfs/dbraw/zinc/20/45/86/683204586.db2.gz FIGMELBPNGEGNN-WCQYABFASA-N 0 3 351.309 2.355 20 30 FEEDHN C#CCOc1ccc([C@H](C)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797121465 683224036 /nfs/dbraw/zinc/22/40/36/683224036.db2.gz ZNXVCMKBDRAFFG-RDJZCZTQSA-N 0 3 350.484 2.163 20 30 FEEDHN CCN1CCN(C[C@H](C)CNc2cc(Br)cnc2C#N)CC1 ZINC000798216938 683322643 /nfs/dbraw/zinc/32/26/43/683322643.db2.gz LLAVBKKGPIRHGL-CYBMUJFWSA-N 0 3 366.307 2.401 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956583 683408422 /nfs/dbraw/zinc/40/84/22/683408422.db2.gz DTBBUXFWLBOCET-HZPDHXFCSA-N 0 3 351.491 2.352 20 30 FEEDHN C#CCN(C(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1)C1CCN(C)CC1 ZINC000921648723 683531693 /nfs/dbraw/zinc/53/16/93/683531693.db2.gz RHTAXKUIHHQVFT-ODCWNRFASA-N 0 3 361.511 2.224 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CNC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000921925824 683616445 /nfs/dbraw/zinc/61/64/45/683616445.db2.gz SZEBIAVZLPHHLH-HNNXBMFYSA-N 0 3 364.492 2.161 20 30 FEEDHN C#Cc1ccc(NC(=O)CCN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000930454476 683736099 /nfs/dbraw/zinc/73/60/99/683736099.db2.gz XPCHMGVUQJNTGM-ZBFHGGJFSA-N 0 3 354.372 2.489 20 30 FEEDHN C#Cc1ccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000930454468 683736522 /nfs/dbraw/zinc/73/65/22/683736522.db2.gz XPCHMGVUQJNTGM-GDBMZVCRSA-N 0 3 354.372 2.489 20 30 FEEDHN C=C(C)[C@@H](CO)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC000931002356 683816523 /nfs/dbraw/zinc/81/65/23/683816523.db2.gz DHESWLKOROVUAD-OAHLLOKOSA-N 0 3 357.376 2.378 20 30 FEEDHN C=C(Cl)C[C@H]1NC(=O)N(CC2CCN(Cc3ccncc3)CC2)C1=O ZINC000865312069 683966869 /nfs/dbraw/zinc/96/68/69/683966869.db2.gz NVLVAWXGXKUSOL-MRXNPFEDSA-N 0 3 362.861 2.357 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000876619679 686229815 /nfs/dbraw/zinc/22/98/15/686229815.db2.gz BNCGGJQYWRZKLH-DGCLKSJQSA-N 0 3 366.767 2.031 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000876628075 686232034 /nfs/dbraw/zinc/23/20/34/686232034.db2.gz XCOVLPUNOZPLMO-AWEZNQCLSA-N 0 3 374.243 2.233 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000876630351 686232898 /nfs/dbraw/zinc/23/28/98/686232898.db2.gz XPKRNOVASXKGBT-CQSZACIVSA-N 0 3 353.875 2.284 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000876657890 686238390 /nfs/dbraw/zinc/23/83/90/686238390.db2.gz VRQVUXAIGBOZKX-TZMCWYRMSA-N 0 3 356.253 2.374 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000876686094 686243509 /nfs/dbraw/zinc/24/35/09/686243509.db2.gz PCETZIQWPCLGMM-JKOKRWQUSA-N 0 3 351.834 2.443 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CCSC)c1nnc2ccccn21 ZINC000876713478 686250993 /nfs/dbraw/zinc/25/09/93/686250993.db2.gz JTIIKYUPZXLXPU-NWDGAFQWSA-N 0 3 353.879 2.110 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000876714849 686251483 /nfs/dbraw/zinc/25/14/83/686251483.db2.gz CWOOKIUXWQEWMW-KRWDZBQOSA-N 0 3 351.878 2.199 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000876778232 686267319 /nfs/dbraw/zinc/26/73/19/686267319.db2.gz ZMPFHHFBDZDAOO-QGZVFWFLSA-N 0 3 367.877 2.212 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000876910377 686293753 /nfs/dbraw/zinc/29/37/53/686293753.db2.gz YNMNBTYJIKMYQF-GFCCVEGCSA-N 0 3 371.890 2.496 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000876945827 686299195 /nfs/dbraw/zinc/29/91/95/686299195.db2.gz JXWBYJMNXQXSGT-BPNCWPANSA-N 0 3 352.866 2.444 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CNCC2(S(=O)(=O)NC(C)(C)C)CC2)cc1 ZINC000883291716 687600744 /nfs/dbraw/zinc/60/07/44/687600744.db2.gz PORIDBQTUVIHHN-AWEZNQCLSA-N 0 3 365.499 2.318 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883554819 687666331 /nfs/dbraw/zinc/66/63/31/687666331.db2.gz GLHKQYNDNUWUSG-INIZCTEOSA-N 0 3 350.507 2.247 20 30 FEEDHN C[C@H](Cc1nc2ccccc2s1)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884108816 687790906 /nfs/dbraw/zinc/79/09/06/687790906.db2.gz MTIFVUQOPQNEHT-QWHDWNGZSA-N 0 3 354.479 2.483 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC000884185193 687810815 /nfs/dbraw/zinc/81/08/15/687810815.db2.gz NEHDMDWTZIZMQF-HVEKOLDVSA-N 0 3 358.873 2.128 20 30 FEEDHN C#CCN(C(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886573236 688278413 /nfs/dbraw/zinc/27/84/13/688278413.db2.gz BCLCSHIMMNCTML-OAHLLOKOSA-N 0 3 351.491 2.188 20 30 FEEDHN C#CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000886578988 688279308 /nfs/dbraw/zinc/27/93/08/688279308.db2.gz STVQEMGLUJVOAH-UHFFFAOYSA-N 0 3 351.353 2.243 20 30 FEEDHN O=C1[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCN1[O-] ZINC000895161310 689669275 /nfs/dbraw/zinc/66/92/75/689669275.db2.gz FQLSKFHYPFDMJN-MRXNPFEDSA-N 0 3 355.841 2.413 20 30 FEEDHN N#CC1(CC(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)CCOCC1 ZINC000899045044 690291717 /nfs/dbraw/zinc/29/17/17/690291717.db2.gz BEOXTAFAJWIZKF-UHFFFAOYSA-N 0 3 361.833 2.360 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN1CC(Cc2ccc(Br)cc2)C1 ZINC000899899239 690436571 /nfs/dbraw/zinc/43/65/71/690436571.db2.gz WEVJOUXPASWTSN-QGZVFWFLSA-N 0 3 366.303 2.130 20 30 FEEDHN C=C(Cl)C[C@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184382 690481082 /nfs/dbraw/zinc/48/10/82/690481082.db2.gz BIMSEXDAZSLIST-CVEARBPZSA-N 0 3 364.877 2.418 20 30 FEEDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000906932338 691347661 /nfs/dbraw/zinc/34/76/61/691347661.db2.gz XCAYZWCMFUABKW-GFCCVEGCSA-N 0 3 372.288 2.035 20 30 FEEDHN C=CCSc1ccccc1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909318483 691806458 /nfs/dbraw/zinc/80/64/58/691806458.db2.gz XJPQLWAULWTHQF-UHFFFAOYSA-N 0 3 361.511 2.297 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)ncc4C#N)C[C@@H]3C2)cn1 ZINC001164771595 721082607 /nfs/dbraw/zinc/08/26/07/721082607.db2.gz SDUVWHIHUVYMOZ-HOCLYGCPSA-N 0 3 356.861 2.298 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CNc1ccc(C#N)cn1 ZINC000497736588 887174596 /nfs/dbraw/zinc/17/45/96/887174596.db2.gz CPQQZKCRQJUGJW-QGZVFWFLSA-N 0 3 363.465 2.488 20 30 FEEDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCOc1ccc(C#N)cc1 ZINC000028727415 539835819 /nfs/dbraw/zinc/83/58/19/539835819.db2.gz OYLHQGDDPPTOQB-CQSZACIVSA-N 0 3 359.451 2.277 20 30 FEEDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCOc1ccc(C#N)cc1 ZINC000028727417 539835830 /nfs/dbraw/zinc/83/58/30/539835830.db2.gz OYLHQGDDPPTOQB-AWEZNQCLSA-N 0 3 359.451 2.277 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CC3CCCCC3)CC2)o1 ZINC000029714605 539862494 /nfs/dbraw/zinc/86/24/94/539862494.db2.gz VYYOTBYJVYQLOR-UHFFFAOYSA-N 0 3 359.474 2.015 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NCCN3CCCC[C@H]3C)cc2C1=O ZINC000044532638 540130018 /nfs/dbraw/zinc/13/00/18/540130018.db2.gz XCGBNAORUIBNGX-CQSZACIVSA-N 0 3 355.438 2.073 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000550420590 674094390 /nfs/dbraw/zinc/09/43/90/674094390.db2.gz XDALMKVULRXROX-LBPRGKRZSA-N 0 3 362.499 2.456 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000048622679 540368040 /nfs/dbraw/zinc/36/80/40/540368040.db2.gz JIEOGTQQRKFALB-UHFFFAOYSA-N 0 3 362.433 2.278 20 30 FEEDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCOc1cccc(C#N)c1 ZINC000051563339 540437598 /nfs/dbraw/zinc/43/75/98/540437598.db2.gz HJTIVQOCXNUDKC-CQSZACIVSA-N 0 3 359.451 2.277 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NCC(C)C ZINC000052485638 540467422 /nfs/dbraw/zinc/46/74/22/540467422.db2.gz KFDFQYOZFLAAPF-UHFFFAOYSA-N 0 3 365.547 2.357 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N(C)C ZINC000052485706 540467986 /nfs/dbraw/zinc/46/79/86/540467986.db2.gz XHRIBUHBQVJJPV-CQSZACIVSA-N 0 3 351.520 2.061 20 30 FEEDHN COCCN(C)CCCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000055341605 540647848 /nfs/dbraw/zinc/64/78/48/540647848.db2.gz JFFFSKFTGBCWHV-UHFFFAOYSA-N 0 3 371.437 2.428 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000057152821 540773637 /nfs/dbraw/zinc/77/36/37/540773637.db2.gz XRNKEQMWBPMKMA-UHFFFAOYSA-N 0 3 369.509 2.075 20 30 FEEDHN C=CCN(CC(=O)NC1CCN(C2CC2)CC1)Cc1cccc(C#N)c1 ZINC000058396624 540842025 /nfs/dbraw/zinc/84/20/25/540842025.db2.gz NMRPZHIQMDCOAN-UHFFFAOYSA-N 0 3 352.482 2.289 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C)C1 ZINC000062121100 541145298 /nfs/dbraw/zinc/14/52/98/541145298.db2.gz OCMWGFHIVTVYNC-CHWSQXEVSA-N 0 3 362.861 2.387 20 30 FEEDHN CN(CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)Cc1ccccc1 ZINC000066241213 541294295 /nfs/dbraw/zinc/29/42/95/541294295.db2.gz VVEIOZSPSDEUAJ-UHFFFAOYSA-N 0 3 374.448 2.188 20 30 FEEDHN CCN1CCC(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066619930 541348181 /nfs/dbraw/zinc/34/81/81/541348181.db2.gz FPFJKWPRCPFPHQ-UHFFFAOYSA-N 0 3 356.470 2.314 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C(C)C)N1CCCC1 ZINC000067375413 541451646 /nfs/dbraw/zinc/45/16/46/541451646.db2.gz GKQOGAQBRBVWNB-QGZVFWFLSA-N 0 3 372.469 2.132 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000067397563 541456534 /nfs/dbraw/zinc/45/65/34/541456534.db2.gz JNWYZWGJWRBQAQ-GJZGRUSLSA-N 0 3 372.469 2.132 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000068310557 541575409 /nfs/dbraw/zinc/57/54/09/541575409.db2.gz XYPTYFBLPAVONS-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C3CCC(C)CC3)CC2)o1 ZINC000071939171 541776476 /nfs/dbraw/zinc/77/64/76/541776476.db2.gz MGONZCJDLAPRJZ-UHFFFAOYSA-N 0 3 359.474 2.014 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCSCC[C@@H]1C)C(C)C ZINC000551221447 674132319 /nfs/dbraw/zinc/13/23/19/674132319.db2.gz IUJDSAPFHGMYOL-DLBZAZTESA-N 0 3 367.559 2.155 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(OCC(F)(F)F)cc1 ZINC000077604887 542401943 /nfs/dbraw/zinc/40/19/43/542401943.db2.gz BLLMHPQQZDKLJD-LLVKDONJSA-N 0 3 365.373 2.233 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1 ZINC000078251754 542449909 /nfs/dbraw/zinc/44/99/09/542449909.db2.gz BFCAMSUIXQVBPL-UHFFFAOYSA-N 0 3 369.465 2.301 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)CC1 ZINC000083651108 542699267 /nfs/dbraw/zinc/69/92/67/542699267.db2.gz MSJDZVYPJPKWJT-LJQANCHMSA-N 0 3 365.518 2.397 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(C)cc2OCCCOC)CC1 ZINC000087460250 542745714 /nfs/dbraw/zinc/74/57/14/542745714.db2.gz NNPVKXPBRSLZOG-UHFFFAOYSA-N 0 3 358.482 2.372 20 30 FEEDHN CS(=O)(=O)Nc1ccc(OCCNCc2ccc(C#N)cc2F)cc1 ZINC000091069807 542792977 /nfs/dbraw/zinc/79/29/77/542792977.db2.gz JNVHVMQYZOWNPW-UHFFFAOYSA-N 0 3 363.414 2.237 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092284410 542854229 /nfs/dbraw/zinc/85/42/29/542854229.db2.gz LEEYDEZJXMBHJY-LXPRWKDFSA-N 0 3 371.485 2.427 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000101607846 543036965 /nfs/dbraw/zinc/03/69/65/543036965.db2.gz DJSVPPGDOYXLBI-MRXNPFEDSA-N 0 3 373.476 2.261 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc2ccccn2c1=O)C(C)C ZINC000101684527 543041215 /nfs/dbraw/zinc/04/12/15/543041215.db2.gz VRLIEHJFXFDEGJ-QGZVFWFLSA-N 0 3 354.454 2.123 20 30 FEEDHN Cc1cc(COCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)on1 ZINC000802213193 674169694 /nfs/dbraw/zinc/16/96/94/674169694.db2.gz RRGHFUNNIIFJFF-OAHLLOKOSA-N 0 3 361.785 2.178 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O ZINC000105316077 543170795 /nfs/dbraw/zinc/17/07/95/543170795.db2.gz YPYHNTUFIGNXRQ-AEFFLSMTSA-N 0 3 354.454 2.024 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C[C@H](NC(N)=O)c2cccs2)CC1 ZINC000106037649 543186129 /nfs/dbraw/zinc/18/61/29/543186129.db2.gz RDOFOTFWSWGLDJ-AWEZNQCLSA-N 0 3 350.488 2.004 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-n3cnnn3)cc2Cl)CC1 ZINC000106034982 543186376 /nfs/dbraw/zinc/18/63/76/543186376.db2.gz NHXYDDTZLZJQJF-UHFFFAOYSA-N 0 3 360.849 2.086 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000106039346 543186927 /nfs/dbraw/zinc/18/69/27/543186927.db2.gz KPPWJACBNYLPEV-SFHVURJKSA-N 0 3 355.482 2.192 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000106323156 543223109 /nfs/dbraw/zinc/22/31/09/543223109.db2.gz NIBYFUHWJYMTBA-UHFFFAOYSA-N 0 3 359.474 2.080 20 30 FEEDHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106870338 543251648 /nfs/dbraw/zinc/25/16/48/543251648.db2.gz XYEVVMHKRLBWAD-MRXNPFEDSA-N 0 3 358.442 2.486 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1ncc2ccccc21 ZINC000107113070 543261833 /nfs/dbraw/zinc/26/18/33/543261833.db2.gz RVMPHNCDFWQMOD-UHFFFAOYSA-N 0 3 361.449 2.498 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000108606648 543297199 /nfs/dbraw/zinc/29/71/99/543297199.db2.gz WXOCZEFPKMWZEQ-HNNXBMFYSA-N 0 3 374.510 2.479 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@@H](NC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000109179700 543317382 /nfs/dbraw/zinc/31/73/82/543317382.db2.gz CBKGSHGHZCAXTR-MOPGFXCFSA-N 0 3 367.497 2.407 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H](N(C)C)C2)cc1 ZINC000109809216 543339992 /nfs/dbraw/zinc/33/99/92/543339992.db2.gz NNLCRNXNFCEKMX-GOSISDBHSA-N 0 3 358.486 2.358 20 30 FEEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000113327218 543484300 /nfs/dbraw/zinc/48/43/00/543484300.db2.gz ZBAYZIKCZGEMFN-OAHLLOKOSA-N 0 3 358.463 2.458 20 30 FEEDHN COc1ccc([C@H](CO)N(C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000113510075 543489527 /nfs/dbraw/zinc/48/95/27/543489527.db2.gz LPLDSKZJJFECFI-NQIIRXRSSA-N 0 3 370.449 2.166 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](CC(C)C)N(C)C)cc2C1=O ZINC000114378182 543512173 /nfs/dbraw/zinc/51/21/73/543512173.db2.gz TWULNFFKTKWWMN-OAHLLOKOSA-N 0 3 357.454 2.175 20 30 FEEDHN Cc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000114803195 543537503 /nfs/dbraw/zinc/53/75/03/543537503.db2.gz RYVSXBLDBJKIBG-NVXWUHKLSA-N 0 3 366.469 2.135 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000118897879 543661736 /nfs/dbraw/zinc/66/17/36/543661736.db2.gz SXPBGNGUNAHRCR-LSDHHAIUSA-N 0 3 374.510 2.335 20 30 FEEDHN N#Cc1ccc2ncc(CNC[C@@H](c3cccs3)N3CCOCC3)n2c1 ZINC000123151017 543745462 /nfs/dbraw/zinc/74/54/62/543745462.db2.gz RDCNWDDCFSDGRO-KRWDZBQOSA-N 0 3 367.478 2.431 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc(OCC#N)cc2)C[C@@H](C)O1 ZINC000123661493 543775885 /nfs/dbraw/zinc/77/58/85/543775885.db2.gz QXSANXVRUZNKQF-IAGOWNOFSA-N 0 3 359.470 2.137 20 30 FEEDHN C[C@H]1CN(CCCCNC(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC000123661273 543775893 /nfs/dbraw/zinc/77/58/93/543775893.db2.gz QXSANXVRUZNKQF-IRXDYDNUSA-N 0 3 359.470 2.137 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000124733705 543839817 /nfs/dbraw/zinc/83/98/17/543839817.db2.gz LYEXRZAENSINQI-QGZVFWFLSA-N 0 3 358.486 2.448 20 30 FEEDHN C=C[C@@H](CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000125913365 543908533 /nfs/dbraw/zinc/90/85/33/543908533.db2.gz SRKZHUSGPNOIST-QFBILLFUSA-N 0 3 355.482 2.287 20 30 FEEDHN Cc1cscc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000126462127 543937317 /nfs/dbraw/zinc/93/73/17/543937317.db2.gz NDGFGCMDYKMJCC-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129686990 544123299 /nfs/dbraw/zinc/12/32/99/544123299.db2.gz KRRNTELTGWQXHL-UHFFFAOYSA-N 0 3 358.486 2.033 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000130492980 544153597 /nfs/dbraw/zinc/15/35/97/544153597.db2.gz VBSIJTPMZISEKJ-KRWDZBQOSA-N 0 3 372.513 2.105 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131143450 544178053 /nfs/dbraw/zinc/17/80/53/544178053.db2.gz IRESTMQBKKFRJY-KRWDZBQOSA-N 0 3 352.500 2.355 20 30 FEEDHN C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)CN1Cc1ccccc1 ZINC000152001560 544605280 /nfs/dbraw/zinc/60/52/80/544605280.db2.gz PJPRNBVXXODUSS-WBVHZDCISA-N 0 3 370.478 2.142 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000152857649 544704713 /nfs/dbraw/zinc/70/47/13/544704713.db2.gz ZESOLDWJIXJDBT-MLGOLLRUSA-N 0 3 353.875 2.316 20 30 FEEDHN Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000153320186 544760137 /nfs/dbraw/zinc/76/01/37/544760137.db2.gz JSXDDRZCKOUKQT-CQSZACIVSA-N 0 3 354.458 2.372 20 30 FEEDHN CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@H]2CCN(C3CC3)C2)CC1=O ZINC000153980023 544849156 /nfs/dbraw/zinc/84/91/56/544849156.db2.gz SLGBRUKDWIZDSR-AWEZNQCLSA-N 0 3 365.481 2.130 20 30 FEEDHN CCCN1CCCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000155113928 544991659 /nfs/dbraw/zinc/99/16/59/544991659.db2.gz CQBLSXCONUROSP-UHFFFAOYSA-N 0 3 372.469 2.228 20 30 FEEDHN N#Cc1ccnc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1Cl ZINC000553082287 674237706 /nfs/dbraw/zinc/23/77/06/674237706.db2.gz YHXSJBYLGPTDTP-IRXDYDNUSA-N 0 3 356.857 2.902 20 30 FEEDHN Cn1cc(CNCc2cccnc2-n2cncn2)c(-c2ccc(C#N)cc2)n1 ZINC000180052125 327669192 /nfs/dbraw/zinc/66/91/92/327669192.db2.gz FYMSLQCHVZIOBN-UHFFFAOYSA-N 0 3 370.420 2.224 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188595411 328097414 /nfs/dbraw/zinc/09/74/14/328097414.db2.gz UWRAFTXDIKWLAZ-QRVBRYPASA-N 0 3 356.470 2.199 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c(F)c1 ZINC000189400237 328145674 /nfs/dbraw/zinc/14/56/74/328145674.db2.gz IWCOHSFCIUIYDC-HNNXBMFYSA-N 0 3 358.417 2.113 20 30 FEEDHN COc1ccc([C@@H](CNCc2cc(C#N)n(C)c2)N2CCOCC2)cc1 ZINC000190681335 328224603 /nfs/dbraw/zinc/22/46/03/328224603.db2.gz GYFIKTRHJPBTPG-HXUWFJFHSA-N 0 3 354.454 2.068 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCC[C@H](C)C1 ZINC000192565177 328326133 /nfs/dbraw/zinc/32/61/33/328326133.db2.gz OYZSPWYFGXYROF-GJZGRUSLSA-N 0 3 373.501 2.290 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192568227 328326212 /nfs/dbraw/zinc/32/62/12/328326212.db2.gz ZESGAWJNUDJMAP-CQSZACIVSA-N 0 3 359.474 2.044 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000192984677 328350806 /nfs/dbraw/zinc/35/08/06/328350806.db2.gz SSEDQLKIFDOQER-MRXNPFEDSA-N 0 3 373.453 2.498 20 30 FEEDHN COC(=O)[C@H](NC1CCN(CCOC(C)C)CC1)c1cccc(C#N)c1 ZINC000083032556 325211514 /nfs/dbraw/zinc/21/15/14/325211514.db2.gz JHFDRUSIZSZOPG-LJQANCHMSA-N 0 3 359.470 2.251 20 30 FEEDHN CN(C(=O)/C=C/c1cccc(C#N)c1)C1CCN(CCn2cccn2)CC1 ZINC000109291472 325663810 /nfs/dbraw/zinc/66/38/10/325663810.db2.gz UQBBBZMKEXYNGD-VOTSOKGWSA-N 0 3 363.465 2.391 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119809669 326200971 /nfs/dbraw/zinc/20/09/71/326200971.db2.gz CKXUCVHNHMWWOU-GDBMZVCRSA-N 0 3 372.494 2.424 20 30 FEEDHN Cn1ccnc1[C@@H](O)C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000120420054 326257300 /nfs/dbraw/zinc/25/73/00/326257300.db2.gz JIIIPTFTCQIFKB-INIZCTEOSA-N 0 3 373.482 2.127 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(OC[C@H]2CCOC2)CC1 ZINC000131926175 326584386 /nfs/dbraw/zinc/58/43/86/326584386.db2.gz UCXIKNKFTBLOPU-KRWDZBQOSA-N 0 3 360.454 2.463 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)CNc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000156704832 326841290 /nfs/dbraw/zinc/84/12/90/326841290.db2.gz OHZLXVHZPQVMKI-IAGOWNOFSA-N 0 3 370.497 2.318 20 30 FEEDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000157429988 326865237 /nfs/dbraw/zinc/86/52/37/326865237.db2.gz BFNKDIRNBVIKPP-ZDUSSCGKSA-N 0 3 361.389 2.292 20 30 FEEDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000173999367 327300662 /nfs/dbraw/zinc/30/06/62/327300662.db2.gz VGOQBSACTMURKO-ZDUSSCGKSA-N 0 3 374.422 2.096 20 30 FEEDHN C[C@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000264019496 328984915 /nfs/dbraw/zinc/98/49/15/328984915.db2.gz KDFIOWOIHNNMBK-KRWDZBQOSA-N 0 3 369.513 2.288 20 30 FEEDHN CCOC(=O)C[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000270470607 329603343 /nfs/dbraw/zinc/60/33/43/329603343.db2.gz BWBCDXDBMNPAAL-INIZCTEOSA-N 0 3 374.485 2.221 20 30 FEEDHN CC(=O)NC1CCC(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272248585 329763368 /nfs/dbraw/zinc/76/33/68/329763368.db2.gz UUGZICPEUGQFFS-FAFZWHIHSA-N 0 3 354.454 2.091 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NCCN3CCCCCC3)CC2)o1 ZINC000276463077 330154453 /nfs/dbraw/zinc/15/44/53/330154453.db2.gz PCYHDAFYSSNBNZ-UHFFFAOYSA-N 0 3 359.474 2.063 20 30 FEEDHN CN(C)C(=O)[C@H]1CC[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000554972484 674344018 /nfs/dbraw/zinc/34/40/18/674344018.db2.gz MWGFRGMBHSIWGM-DZGCQCFKSA-N 0 3 355.360 2.302 20 30 FEEDHN C#CCCCCNC(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000159130230 545923996 /nfs/dbraw/zinc/92/39/96/545923996.db2.gz NWAZMOTWOQUMDX-UHFFFAOYSA-N 0 3 370.497 2.075 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000171557374 546213976 /nfs/dbraw/zinc/21/39/76/546213976.db2.gz CWHOZNUFQSJKSH-QGZVFWFLSA-N 0 3 356.470 2.132 20 30 FEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)CC1 ZINC000171725571 546221802 /nfs/dbraw/zinc/22/18/02/546221802.db2.gz WDYPAKGTGKWWBJ-FNORWQNLSA-N 0 3 355.438 2.377 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000171723169 546222197 /nfs/dbraw/zinc/22/21/97/546222197.db2.gz FTZASPHDLOSLJB-AWEZNQCLSA-N 0 3 361.873 2.460 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@](C)(O)c2ccc(F)cc2F)CC1 ZINC000172075678 546236068 /nfs/dbraw/zinc/23/60/68/546236068.db2.gz FDMYFWDNKZFLAO-SFHVURJKSA-N 0 3 353.413 2.122 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000172291603 546244918 /nfs/dbraw/zinc/24/49/18/546244918.db2.gz BTAZYQKXDQHZJT-NRFANRHFSA-N 0 3 355.482 2.448 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 ZINC000174922643 546304856 /nfs/dbraw/zinc/30/48/56/546304856.db2.gz AQEQWLPMJBZPEH-KSSFIOAISA-N 0 3 369.465 2.319 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)CC1 ZINC000175513255 546312134 /nfs/dbraw/zinc/31/21/34/546312134.db2.gz MCXCSHPENAFNCH-MRXNPFEDSA-N 0 3 364.877 2.206 20 30 FEEDHN C=CCSCCNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000176026912 546391958 /nfs/dbraw/zinc/39/19/58/546391958.db2.gz YSGZFDHDUXCMQJ-UHFFFAOYSA-N 0 3 363.527 2.362 20 30 FEEDHN Cn1cc(CNc2ccc3nc(CCN4CCOCC4)[nH]c3c2)cc1C#N ZINC000480312788 561206990 /nfs/dbraw/zinc/20/69/90/561206990.db2.gz YBLKJMOCCWNMNL-UHFFFAOYSA-N 0 3 364.453 2.260 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177064434 546536049 /nfs/dbraw/zinc/53/60/49/546536049.db2.gz BBIYEVSACCACPG-HOCLYGCPSA-N 0 3 357.454 2.467 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)CC1 ZINC000177736894 546676952 /nfs/dbraw/zinc/67/69/52/546676952.db2.gz JOZACEAZWAJMKX-UHFFFAOYSA-N 0 3 373.501 2.173 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000179033428 546889704 /nfs/dbraw/zinc/88/97/04/546889704.db2.gz GLSWPRDRWITFSF-YJBOKZPZSA-N 0 3 365.424 2.433 20 30 FEEDHN N#CCCCOc1cccc(CN2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000179689347 546999227 /nfs/dbraw/zinc/99/92/27/546999227.db2.gz UXMJXWCLPDFILS-UHFFFAOYSA-N 0 3 371.481 2.440 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000180017166 547039539 /nfs/dbraw/zinc/03/95/39/547039539.db2.gz NTGPRPDGHJDUNY-IAGOWNOFSA-N 0 3 373.501 2.373 20 30 FEEDHN Cc1cccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)c1C#N ZINC000180199327 547067055 /nfs/dbraw/zinc/06/70/55/547067055.db2.gz CKJCVNQLGTWOAF-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN C=CCSCCN[C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000180454140 547109788 /nfs/dbraw/zinc/10/97/88/547109788.db2.gz POOUTTIORHFYEO-HNNXBMFYSA-N 0 3 370.540 2.277 20 30 FEEDHN N#Cc1ccc(CN2C(=O)[C@H]3CN(Cc4ccccc4)C[C@H]3C2=O)c(F)c1 ZINC000180746244 547171962 /nfs/dbraw/zinc/17/19/62/547171962.db2.gz XLTCKJJOHUHMHJ-HDICACEKSA-N 0 3 363.392 2.314 20 30 FEEDHN COc1cnccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000483210524 561270439 /nfs/dbraw/zinc/27/04/39/561270439.db2.gz MLRAKXJRIFFFEJ-HNNXBMFYSA-N 0 3 365.437 2.111 20 30 FEEDHN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000181522063 547329355 /nfs/dbraw/zinc/32/93/55/547329355.db2.gz PHQKHZJDPVYNOF-OAHLLOKOSA-N 0 3 352.442 2.261 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000181566668 547337337 /nfs/dbraw/zinc/33/73/37/547337337.db2.gz SQZZXXJOIAOUDW-OAHLLOKOSA-N 0 3 358.490 2.222 20 30 FEEDHN C=C(C)COc1cc(CNC[C@H]2CC[C@H](C(=O)N(C)C)O2)ccc1OC ZINC000182041200 547427196 /nfs/dbraw/zinc/42/71/96/547427196.db2.gz VKGRVEYKBFLFNH-SJLPKXTDSA-N 0 3 362.470 2.376 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)nn2CCCCC)CC1 ZINC000483957028 561287940 /nfs/dbraw/zinc/28/79/40/561287940.db2.gz NSDKXMSIOWEYCJ-UHFFFAOYSA-N 0 3 361.490 2.087 20 30 FEEDHN CN(C)CCN1C[C@@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)CC1=O ZINC000183906771 547737671 /nfs/dbraw/zinc/73/76/71/547737671.db2.gz MLEJJNYZUKAUNV-SHPPYHEDSA-N 0 3 362.518 2.011 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184592213 547850926 /nfs/dbraw/zinc/85/09/26/547850926.db2.gz XURHYAKQYPKJGI-AWEZNQCLSA-N 0 3 353.430 2.135 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000186113627 548086716 /nfs/dbraw/zinc/08/67/16/548086716.db2.gz IYWGQGSZKKACLZ-INIZCTEOSA-N 0 3 350.532 2.472 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000188691567 548285773 /nfs/dbraw/zinc/28/57/73/548285773.db2.gz DTYYDUFDESWEDW-LJQANCHMSA-N 0 3 370.497 2.046 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000190026782 548316582 /nfs/dbraw/zinc/31/65/82/548316582.db2.gz DDHYHZDEEXVBPR-JKSUJKDBSA-N 0 3 370.453 2.003 20 30 FEEDHN N#Cc1ccncc1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000486366009 561345349 /nfs/dbraw/zinc/34/53/49/561345349.db2.gz ATENEJGKHZKTQT-UHFFFAOYSA-N 0 3 368.412 2.366 20 30 FEEDHN COCCOC[C@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245519543 548938133 /nfs/dbraw/zinc/93/81/33/548938133.db2.gz IQRAJTQMQLLJCZ-HKUYNNGSSA-N 0 3 357.454 2.039 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](C4OCCO4)C3)C2=O)cc1 ZINC000245532554 548940356 /nfs/dbraw/zinc/94/03/56/548940356.db2.gz USZUPTUWCNGAQH-AEFFLSMTSA-N 0 3 355.438 2.139 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](c3ccccc3)C2)CC1 ZINC000245560666 548946600 /nfs/dbraw/zinc/94/66/00/548946600.db2.gz MWUQDBPQAXSSFI-UXHICEINSA-N 0 3 354.498 2.168 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@H]1C ZINC000245848164 549002768 /nfs/dbraw/zinc/00/27/68/549002768.db2.gz LTOBDCYZXBJNGG-GJYPPUQNSA-N 0 3 358.461 2.265 20 30 FEEDHN CC(=O)N1CC[C@H](CN(C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246058235 549043021 /nfs/dbraw/zinc/04/30/21/549043021.db2.gz BFGJKFOJBHHBGL-URTYCYGZSA-N 0 3 362.518 2.106 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000246814820 549219541 /nfs/dbraw/zinc/21/95/41/549219541.db2.gz VHSHDGAJDJGPGB-UXHICEINSA-N 0 3 369.513 2.280 20 30 FEEDHN C=CCn1cccc1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000488894417 561399013 /nfs/dbraw/zinc/39/90/13/561399013.db2.gz CHUFZEXXFWLTHG-NRFANRHFSA-N 0 3 353.466 2.383 20 30 FEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000249982127 549636012 /nfs/dbraw/zinc/63/60/12/549636012.db2.gz AXSNUUOWUWEMIM-STQMWFEESA-N 0 3 362.861 2.387 20 30 FEEDHN N#CCOc1cccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000264458541 549996462 /nfs/dbraw/zinc/99/64/62/549996462.db2.gz IFFWRSVYILFIDZ-KRWDZBQOSA-N 0 3 370.453 2.004 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000264494499 549996791 /nfs/dbraw/zinc/99/67/91/549996791.db2.gz WKKRBAXGXKHWDP-UHFFFAOYSA-N 0 3 351.472 2.003 20 30 FEEDHN C#CCCN1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000264715157 550000110 /nfs/dbraw/zinc/00/01/10/550000110.db2.gz WSNSMDUZBNPSTK-UHFFFAOYSA-N 0 3 361.243 2.107 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCN(C3CCC3)CC2)c(OC)c1 ZINC000264947919 550004402 /nfs/dbraw/zinc/00/44/02/550004402.db2.gz AKAIHNDPJNEASQ-LJQANCHMSA-N 0 3 360.498 2.334 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000265134337 550006418 /nfs/dbraw/zinc/00/64/18/550006418.db2.gz LKEZJMVSTNZSFI-HXUWFJFHSA-N 0 3 367.497 2.056 20 30 FEEDHN N=C(NCCN1CCCS1(=O)=O)Nc1cccc(Oc2ccccc2)c1 ZINC000266989877 550025605 /nfs/dbraw/zinc/02/56/05/550025605.db2.gz TXYGADRFYDAGFL-UHFFFAOYSA-N 0 3 374.466 2.241 20 30 FEEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000267002617 550026413 /nfs/dbraw/zinc/02/64/13/550026413.db2.gz IADKLJGOOHXIIZ-SFHVURJKSA-N 0 3 370.497 2.118 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)CCc1ccccc1 ZINC000491570427 561446633 /nfs/dbraw/zinc/44/66/33/561446633.db2.gz PJEHBCZNVWICTC-NRFANRHFSA-N 0 3 365.477 2.442 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269066365 550150589 /nfs/dbraw/zinc/15/05/89/550150589.db2.gz CWMXBVMOOSMXJL-OLZOCXBDSA-N 0 3 362.861 2.387 20 30 FEEDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000493709300 561457860 /nfs/dbraw/zinc/45/78/60/561457860.db2.gz QTLHCEBZIFDIRP-AEFFLSMTSA-N 0 3 368.399 2.314 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(-c3ncco3)ccc2C)CC1 ZINC000270269871 550258029 /nfs/dbraw/zinc/25/80/29/550258029.db2.gz GFXUTTNPFBQRHJ-UHFFFAOYSA-N 0 3 368.437 2.355 20 30 FEEDHN CN(C)C1(CNC(=O)Cc2cccc(OCC#N)c2)Cc2ccccc2C1 ZINC000270563668 550283929 /nfs/dbraw/zinc/28/39/29/550283929.db2.gz QVMFZOQISBPRMO-UHFFFAOYSA-N 0 3 363.461 2.347 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1N(C)C ZINC000270686927 550297077 /nfs/dbraw/zinc/29/70/77/550297077.db2.gz WLZZDTRVJFLZMN-ZIAGYGMSSA-N 0 3 352.529 2.153 20 30 FEEDHN COCC1(O)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271209623 550353653 /nfs/dbraw/zinc/35/36/53/550353653.db2.gz XTVWHJVKCFRWLW-UHFFFAOYSA-N 0 3 354.454 2.437 20 30 FEEDHN COC(=O)C1CCN(CCCNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000272073393 550420257 /nfs/dbraw/zinc/42/02/57/550420257.db2.gz VKTPXYYCHGQWIZ-UHFFFAOYSA-N 0 3 369.465 2.247 20 30 FEEDHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494328754 561467386 /nfs/dbraw/zinc/46/73/86/561467386.db2.gz VYFFDCVTNVXDTM-PXNSSMCTSA-N 0 3 372.513 2.104 20 30 FEEDHN CS[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1N1CCCC1 ZINC000273573038 550503667 /nfs/dbraw/zinc/50/36/67/550503667.db2.gz ZUBNYFGMSFQBGD-MSOLQXFVSA-N 0 3 359.495 2.170 20 30 FEEDHN C=CCN(C)CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000494636259 561473100 /nfs/dbraw/zinc/47/31/00/561473100.db2.gz IFTRGPWDMBTLPI-UHFFFAOYSA-N 0 3 354.428 2.076 20 30 FEEDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000275990183 550575823 /nfs/dbraw/zinc/57/58/23/550575823.db2.gz QFMDPTNORBVHLB-INIZCTEOSA-N 0 3 374.485 2.496 20 30 FEEDHN COc1ccc2c(c1)[C@H](NCCNC(=O)C1N=CC=CC1=O)CCS2 ZINC000276138319 550577048 /nfs/dbraw/zinc/57/70/48/550577048.db2.gz MYIPNSPRALGVPK-MGPWXQLLSA-N 0 3 359.451 2.348 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C)CCOCC2)cc1 ZINC000278718750 550814940 /nfs/dbraw/zinc/81/49/40/550814940.db2.gz UYPXLIGWFJASLD-GFCCVEGCSA-N 0 3 351.428 2.063 20 30 FEEDHN CCN(Cc1ccccc1)C(=O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279207821 550864950 /nfs/dbraw/zinc/86/49/50/550864950.db2.gz BMESOCZUSUXVBG-FQEVSTJZSA-N 0 3 374.444 2.405 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000279278353 550872611 /nfs/dbraw/zinc/87/26/11/550872611.db2.gz ODDAWOKVLGOILI-KZNAEPCWSA-N 0 3 360.479 2.269 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000279883254 550939139 /nfs/dbraw/zinc/93/91/39/550939139.db2.gz CVJPKKWXVIHUEZ-PMACEKPBSA-N 0 3 365.481 2.493 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)c(OC(C)C)c2)CC1 ZINC000280069712 550957882 /nfs/dbraw/zinc/95/78/82/550957882.db2.gz BSYFXKWHHJTHNZ-UHFFFAOYSA-N 0 3 359.470 2.487 20 30 FEEDHN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280455258 550995888 /nfs/dbraw/zinc/99/58/88/550995888.db2.gz NXFUOUBCHBEMQD-PMACEKPBSA-N 0 3 374.444 2.056 20 30 FEEDHN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280584954 551010075 /nfs/dbraw/zinc/01/00/75/551010075.db2.gz WHOKMJIDUQQKNK-FGTMMUONSA-N 0 3 352.438 2.004 20 30 FEEDHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280792927 551033138 /nfs/dbraw/zinc/03/31/38/551033138.db2.gz FUIIIECQXGAADD-RBUKOAKNSA-N 0 3 366.465 2.251 20 30 FEEDHN C=CCn1c(-c2ccccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000282192332 551193147 /nfs/dbraw/zinc/19/31/47/551193147.db2.gz GHCNEMLMQIGSQH-INIZCTEOSA-N 0 3 371.460 2.429 20 30 FEEDHN C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000282265737 551203673 /nfs/dbraw/zinc/20/36/73/551203673.db2.gz LVBZJYBPDQPIQV-MRXNPFEDSA-N 0 3 357.458 2.191 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(OCC(C)C)cc2)CC1 ZINC000284908032 551664384 /nfs/dbraw/zinc/66/43/84/551664384.db2.gz DSLCBJGJFGWVFN-UHFFFAOYSA-N 0 3 373.497 2.104 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccccc2OCC(C)C)CC1 ZINC000285281945 551731798 /nfs/dbraw/zinc/73/17/98/551731798.db2.gz UZRBSYFEOLAPGG-UHFFFAOYSA-N 0 3 373.497 2.104 20 30 FEEDHN CC1CCN([C@@H](CNC(=O)C(=O)NCCCCC#N)c2ccccc2)CC1 ZINC000285422629 551754174 /nfs/dbraw/zinc/75/41/74/551754174.db2.gz IXYNKTOJAIOWMB-IBGZPJMESA-N 0 3 370.497 2.386 20 30 FEEDHN C=CCC[C@@H](NC(=O)C(=O)NC1CCN(CCOC)CC1)c1ccccc1 ZINC000285591884 551779745 /nfs/dbraw/zinc/77/97/45/551779745.db2.gz SLJYHIRFNFKCOP-LJQANCHMSA-N 0 3 373.497 2.037 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286065177 551844721 /nfs/dbraw/zinc/84/47/21/551844721.db2.gz RRLKXAPTYZSBBD-AQNXPRMDSA-N 0 3 366.465 2.147 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000499069385 561542525 /nfs/dbraw/zinc/54/25/25/561542525.db2.gz LVLASTYHGAPMNG-ZRGWGRIASA-N 0 3 354.458 2.361 20 30 FEEDHN N#Cc1cc(N2CCN(CCc3cccs3)CC2)cc(N)c1[N+](=O)[O-] ZINC000286354270 551878074 /nfs/dbraw/zinc/87/80/74/551878074.db2.gz LBYVIKUYUFQQTF-UHFFFAOYSA-N 0 3 357.439 2.475 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000286367050 551879403 /nfs/dbraw/zinc/87/94/03/551879403.db2.gz CERXXQCOLCMYFT-AUUYWEPGSA-N 0 3 373.472 2.332 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(C)(c3ccccc3)CC2)CC1 ZINC000286437173 551885190 /nfs/dbraw/zinc/88/51/90/551885190.db2.gz GSOMNUUBIMPRTE-UHFFFAOYSA-N 0 3 369.509 2.333 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000286468588 551889098 /nfs/dbraw/zinc/88/90/98/551889098.db2.gz ILXJIGCNUPVIMX-HKUYNNGSSA-N 0 3 369.509 2.233 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)CC1 ZINC000286824992 551930040 /nfs/dbraw/zinc/93/00/40/551930040.db2.gz WSSLQJYFJOBNRO-NVXWUHKLSA-N 0 3 359.470 2.346 20 30 FEEDHN C#CCN(Cc1ccccc1)C(=O)NCCCCN1CCN(CC)CC1 ZINC000287026792 551953495 /nfs/dbraw/zinc/95/34/95/551953495.db2.gz GSRQQMLRVAOATC-UHFFFAOYSA-N 0 3 356.514 2.249 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H](O)CC(C)(C)C)cc1 ZINC000287159869 551971015 /nfs/dbraw/zinc/97/10/15/551971015.db2.gz MRAJOCGIVBSAQY-TZMCWYRMSA-N 0 3 367.471 2.291 20 30 FEEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)N(C)C)cc1 ZINC000287881955 552058394 /nfs/dbraw/zinc/05/83/94/552058394.db2.gz FPCUZVHNYLAJDR-ZWKOTPCHSA-N 0 3 360.458 2.010 20 30 FEEDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)N(C)C)cc1 ZINC000287881953 552058405 /nfs/dbraw/zinc/05/84/05/552058405.db2.gz FPCUZVHNYLAJDR-ROUUACIJSA-N 0 3 360.458 2.010 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000288079878 552087028 /nfs/dbraw/zinc/08/70/28/552087028.db2.gz HGNRYXIYPQZFTQ-IEBWSBKVSA-N 0 3 357.498 2.438 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288190062 552107320 /nfs/dbraw/zinc/10/73/20/552107320.db2.gz OVFBIKTWIXLMLO-GOEBONIOSA-N 0 3 371.485 2.138 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000499692388 561556243 /nfs/dbraw/zinc/55/62/43/561556243.db2.gz QPTBCVIRXMXWNS-UHFFFAOYSA-N 0 3 356.536 2.103 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288327088 552133905 /nfs/dbraw/zinc/13/39/05/552133905.db2.gz XXYYXWDAGHHRCW-MLGOLLRUSA-N 0 3 360.845 2.235 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N(C)CCCN(C)Cc2ccco2)c1C#N ZINC000288355509 552139527 /nfs/dbraw/zinc/13/95/27/552139527.db2.gz IFZRTBZVLPXPPK-UHFFFAOYSA-N 0 3 368.437 2.379 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000500213094 561567956 /nfs/dbraw/zinc/56/79/56/561567956.db2.gz RVPACFCMIJYTDD-OAQYLSRUSA-N 0 3 370.497 2.277 20 30 FEEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289361373 552306942 /nfs/dbraw/zinc/30/69/42/552306942.db2.gz IVUYLBJFEWATHM-SJLPKXTDSA-N 0 3 350.413 2.062 20 30 FEEDHN COc1ccc(CN(C)CCCN2CCN(C)CC2)cc1OCCCC#N ZINC000289467646 552326140 /nfs/dbraw/zinc/32/61/40/552326140.db2.gz PCJJLSKTQYADGL-UHFFFAOYSA-N 0 3 374.529 2.447 20 30 FEEDHN N#Cc1cncc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c1 ZINC000289947085 552404048 /nfs/dbraw/zinc/40/40/48/552404048.db2.gz VURWXUVOARCDSB-UHFFFAOYSA-N 0 3 370.478 2.144 20 30 FEEDHN C[C@@](C#N)(NC(=O)CN[C@@H]1c2ccccc2CC12CCOCC2)C1CC1 ZINC000290051061 552420227 /nfs/dbraw/zinc/42/02/27/552420227.db2.gz DLEIFKUGQIVJLX-UXHICEINSA-N 0 3 353.466 2.479 20 30 FEEDHN C#CCC(CC#C)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000290604559 552505792 /nfs/dbraw/zinc/50/57/92/552505792.db2.gz RLAOJOLNDBXVGE-QFIPXVFZSA-N 0 3 363.505 2.068 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291338925 552616489 /nfs/dbraw/zinc/61/64/89/552616489.db2.gz WHATUOHDMRVPSN-UGKGYDQZSA-N 0 3 359.429 2.403 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292086592 552692369 /nfs/dbraw/zinc/69/23/69/552692369.db2.gz FDAMUVCLOFMBAD-GOSISDBHSA-N 0 3 361.405 2.307 20 30 FEEDHN C[C@](C#N)(NC(=O)CNC1(Cc2cccc(F)c2)CCOCC1)C1CC1 ZINC000292948221 552773904 /nfs/dbraw/zinc/77/39/04/552773904.db2.gz IMMSANNTVUUUQO-LJQANCHMSA-N 0 3 359.445 2.315 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)nc1 ZINC000293241245 552802696 /nfs/dbraw/zinc/80/26/96/552802696.db2.gz YPVNZRJLVQCEDP-UHFFFAOYSA-N 0 3 369.469 2.006 20 30 FEEDHN CCN1CC[C@H]2OCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)[C@H]2C1 ZINC000293316293 552810692 /nfs/dbraw/zinc/81/06/92/552810692.db2.gz QQCKTDDNCMPTMX-VQTJNVASSA-N 0 3 365.481 2.254 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)cc1F ZINC000293400499 552819846 /nfs/dbraw/zinc/81/98/46/552819846.db2.gz MNRXWIYKHBRGAI-CQSZACIVSA-N 0 3 351.447 2.194 20 30 FEEDHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CCN(C2CCC2)C1 ZINC000293436312 552823435 /nfs/dbraw/zinc/82/34/35/552823435.db2.gz OFBTWUOGZXRASS-CYBMUJFWSA-N 0 3 374.872 2.483 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)N[C@@H](CO)CN2CCCCC2)c1 ZINC000293572151 552836528 /nfs/dbraw/zinc/83/65/28/552836528.db2.gz JBWUKCXFTPTTBM-GOSISDBHSA-N 0 3 359.470 2.070 20 30 FEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000293960968 552871237 /nfs/dbraw/zinc/87/12/37/552871237.db2.gz LARYQMYIELPVII-HNNXBMFYSA-N 0 3 365.886 2.214 20 30 FEEDHN CCCN1CCC(N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000294247351 552890959 /nfs/dbraw/zinc/89/09/59/552890959.db2.gz DPAMIBKQLLWZQJ-UHFFFAOYSA-N 0 3 353.463 2.333 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295133295 552961984 /nfs/dbraw/zinc/96/19/84/552961984.db2.gz LHKGWPKEMRIQMG-PKOBYXMFSA-N 0 3 372.513 2.205 20 30 FEEDHN N#Cc1cccc(CNC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 ZINC000502031218 561610292 /nfs/dbraw/zinc/61/02/92/561610292.db2.gz JMANNYMZEBZCLQ-LEWJYISDSA-N 0 3 360.461 2.247 20 30 FEEDHN N#Cc1cccc(CNC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 ZINC000502031219 561610363 /nfs/dbraw/zinc/61/03/63/561610363.db2.gz JMANNYMZEBZCLQ-SFTDATJTSA-N 0 3 360.461 2.247 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H]2CCC[C@@H]2CCO)cc1 ZINC000502855183 561627987 /nfs/dbraw/zinc/62/79/87/561627987.db2.gz KCQVGAIJODXJSQ-APWZRJJASA-N 0 3 359.470 2.473 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000297014021 553242200 /nfs/dbraw/zinc/24/22/00/553242200.db2.gz UWGQNAVWZKTAFZ-UHFFFAOYSA-N 0 3 371.481 2.255 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC1(Cc2cccc(F)c2)CCOCC1 ZINC000297646117 553319776 /nfs/dbraw/zinc/31/97/76/553319776.db2.gz ZKBMIRFJRVLLHM-UHFFFAOYSA-N 0 3 361.461 2.172 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000299018175 553504120 /nfs/dbraw/zinc/50/41/20/553504120.db2.gz FGRJIDWZFMNVHS-UHFFFAOYSA-N 0 3 350.466 2.451 20 30 FEEDHN C=CCCc1ccccc1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000505621231 561675588 /nfs/dbraw/zinc/67/55/88/561675588.db2.gz PTWOURCPSXDSAW-LJQANCHMSA-N 0 3 361.511 2.297 20 30 FEEDHN C[C@H]1CCC[C@](CNCCS(=O)(=O)c2ccc(C#N)cc2)(N(C)C)C1 ZINC000327064711 553785684 /nfs/dbraw/zinc/78/56/84/553785684.db2.gz YJJBUILXCXHNFO-LPHOPBHVSA-N 0 3 363.527 2.432 20 30 FEEDHN Cc1ccc(NC(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1S(C)(=O)=O ZINC000328814566 553826187 /nfs/dbraw/zinc/82/61/87/553826187.db2.gz GGUUDBIIMFLMSS-GJZGRUSLSA-N 0 3 351.472 2.160 20 30 FEEDHN CC(C(=O)N[C@H](C#N)c1ccc(Cl)cc1)S(=O)(=O)C1CCOCC1 ZINC000505834366 561682233 /nfs/dbraw/zinc/68/22/33/561682233.db2.gz SOERGHCWPGWSGG-IAQYHMDHSA-N 0 3 370.858 2.003 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)CCN1C ZINC000328992364 553860302 /nfs/dbraw/zinc/86/03/02/553860302.db2.gz DMFXRKWTHDJCGE-RRIFGTCXSA-N 0 3 359.470 2.242 20 30 FEEDHN CNC(=O)[C@@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)c2ccccc2O1 ZINC000329098140 553880205 /nfs/dbraw/zinc/88/02/05/553880205.db2.gz LVFYEWJACSBLQZ-SFHVURJKSA-N 0 3 372.469 2.424 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCO1 ZINC000329104717 553880821 /nfs/dbraw/zinc/88/08/21/553880821.db2.gz OEILPAMOMHHAIR-QAPCUYQASA-N 0 3 361.486 2.214 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000329169758 553894707 /nfs/dbraw/zinc/89/47/07/553894707.db2.gz JHXGHZCEQUXGIN-NNPSNHGLSA-N 0 3 363.502 2.043 20 30 FEEDHN CN(CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000329198006 553900376 /nfs/dbraw/zinc/90/03/76/553900376.db2.gz AFYFYZXTBNPCLE-IBGZPJMESA-N 0 3 370.497 2.307 20 30 FEEDHN CN1C[C@H](NC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CCC1=O ZINC000329245328 553910093 /nfs/dbraw/zinc/91/00/93/553910093.db2.gz VCRNCVIBBQKPKN-NQIIRXRSSA-N 0 3 370.497 2.119 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)c3c(F)cccc3Cl)[C@H]2C1 ZINC000329257666 553912358 /nfs/dbraw/zinc/91/23/58/553912358.db2.gz CBNHPRDQMJOESZ-RISCZKNCSA-N 0 3 353.825 2.336 20 30 FEEDHN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)C1=CCN(C)CC1 ZINC000329299868 553920494 /nfs/dbraw/zinc/92/04/94/553920494.db2.gz MGBMGFFZWRUWQC-RVKKMQEKSA-N 0 3 356.470 2.334 20 30 FEEDHN CN(C)[C@]1(CNC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)CCSC1 ZINC000329463852 553951315 /nfs/dbraw/zinc/95/13/15/553951315.db2.gz UQEZMGJGYCCLIS-UONOGXRCSA-N 0 3 369.453 2.117 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](c4nc[nH]n4)C3)C2=O)cc1 ZINC000329468901 553952330 /nfs/dbraw/zinc/95/23/30/553952330.db2.gz XRJFOKSYGYOBDV-RDJZCZTQSA-N 0 3 350.426 2.051 20 30 FEEDHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329479511 553954628 /nfs/dbraw/zinc/95/46/28/553954628.db2.gz CRIZLINEWKOQBH-GDBMZVCRSA-N 0 3 357.520 2.188 20 30 FEEDHN COc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1N1CCCC1=O ZINC000329489575 553956560 /nfs/dbraw/zinc/95/65/60/553956560.db2.gz UVXXHQMRHITWRH-OAHLLOKOSA-N 0 3 358.442 2.148 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000329569211 553968757 /nfs/dbraw/zinc/96/87/57/553968757.db2.gz LVZFJDHBTZEWIW-ROUUACIJSA-N 0 3 364.534 2.355 20 30 FEEDHN CN1CC[C@H](NCC(=O)NC(=O)NC2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329797502 554007284 /nfs/dbraw/zinc/00/72/84/554007284.db2.gz XFHGORPVYXGGQV-HOCLYGCPSA-N 0 3 352.385 2.333 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CC1=O ZINC000329852822 554018964 /nfs/dbraw/zinc/01/89/64/554018964.db2.gz VATKWCSTVWAACM-QGZVFWFLSA-N 0 3 358.486 2.165 20 30 FEEDHN CC(C(=O)NCCN1CCCC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000329905247 554028572 /nfs/dbraw/zinc/02/85/72/554028572.db2.gz RKXBRNRKJSQKEX-AWEZNQCLSA-N 0 3 360.520 2.047 20 30 FEEDHN CCCN1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000329913251 554030396 /nfs/dbraw/zinc/03/03/96/554030396.db2.gz OOSNYQQJSSRKKW-GOSISDBHSA-N 0 3 358.486 2.119 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000329992965 554045791 /nfs/dbraw/zinc/04/57/91/554045791.db2.gz YBAOEFLFHAPODG-CALCHBBNSA-N 0 3 372.513 2.464 20 30 FEEDHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)CN1CCC(C)CC1 ZINC000330003271 554047215 /nfs/dbraw/zinc/04/72/15/554047215.db2.gz ZNMOOJDFMFXACP-SFHVURJKSA-N 0 3 359.518 2.281 20 30 FEEDHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CN1CCC(C)CC1 ZINC000330003270 554047378 /nfs/dbraw/zinc/04/73/78/554047378.db2.gz ZNMOOJDFMFXACP-GOSISDBHSA-N 0 3 359.518 2.281 20 30 FEEDHN CCN(C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000330007665 554048372 /nfs/dbraw/zinc/04/83/72/554048372.db2.gz DTSXMVSZPBIOOH-MOPGFXCFSA-N 0 3 358.486 2.118 20 30 FEEDHN Cc1cnn([C@@H]2CCCN(C(=O)NC[C@]3(N(C)C)CCSC3)C2)c1 ZINC000330065441 554057959 /nfs/dbraw/zinc/05/79/59/554057959.db2.gz DADQSIDEUWENEF-NVXWUHKLSA-N 0 3 351.520 2.180 20 30 FEEDHN CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)CCN1CCOC ZINC000507810763 561741531 /nfs/dbraw/zinc/74/15/31/561741531.db2.gz VLTIHNWCOSEHNY-GOSISDBHSA-N 0 3 368.485 2.291 20 30 FEEDHN CC(C)c1nc2c(n1C)CCN(C(=O)NC[C@@]1(N(C)C)CCSC1)C2 ZINC000330122489 554068334 /nfs/dbraw/zinc/06/83/34/554068334.db2.gz BWHZNMVGLYBFJR-SFHVURJKSA-N 0 3 365.547 2.253 20 30 FEEDHN C[C@H]1C[C@@H](O)CCN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000330179946 554079720 /nfs/dbraw/zinc/07/97/20/554079720.db2.gz MYFWMCOLKBWVTI-HOTGVXAUSA-N 0 3 355.548 2.497 20 30 FEEDHN Cc1nc(CCNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cs1 ZINC000330258664 554094440 /nfs/dbraw/zinc/09/44/40/554094440.db2.gz MRQBGSUQQFNTKW-ZDUSSCGKSA-N 0 3 352.504 2.093 20 30 FEEDHN CCO[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C12CCC2 ZINC000330269635 554096307 /nfs/dbraw/zinc/09/63/07/554096307.db2.gz SDMIDUKPBCNWJI-KBAYOESNSA-N 0 3 365.518 2.433 20 30 FEEDHN CNC(=O)C1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000330270137 554096750 /nfs/dbraw/zinc/09/67/50/554096750.db2.gz SXOIQZGSZQQERD-FHERZECASA-N 0 3 366.506 2.231 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000330272568 554097308 /nfs/dbraw/zinc/09/73/08/554097308.db2.gz XSLLWWGGBYJVJL-OWLYRPNTSA-N 0 3 351.491 2.043 20 30 FEEDHN O=C(NC1CCN(c2cccnn2)CC1)[C@@H]1CCCN1C1CCOCC1 ZINC000330279573 554098332 /nfs/dbraw/zinc/09/83/32/554098332.db2.gz RGRBLAJRLMCHGE-KRWDZBQOSA-N 0 3 359.474 2.045 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000330317621 554104209 /nfs/dbraw/zinc/10/42/09/554104209.db2.gz BUPBSDIFUVARBI-HPFXQQBRSA-N 0 3 363.506 2.264 20 30 FEEDHN Cc1nnc([C@H](C)NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)s1 ZINC000330324236 554105364 /nfs/dbraw/zinc/10/53/64/554105364.db2.gz UAPOWZBHJQINSA-RYUDHWBXSA-N 0 3 353.492 2.007 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CNC(=O)C1CCCCC1 ZINC000330330835 554106559 /nfs/dbraw/zinc/10/65/59/554106559.db2.gz XETJSPATIHPEFR-HNNXBMFYSA-N 0 3 351.491 2.235 20 30 FEEDHN Cc1csc([C@@H]2COCCN2CC(=O)NC2CCN(C3CC3)CC2)n1 ZINC000330350623 554110159 /nfs/dbraw/zinc/11/01/59/554110159.db2.gz LHWMRVBSYXQTAF-INIZCTEOSA-N 0 3 364.515 2.408 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)CC)CC1 ZINC000330663623 554153319 /nfs/dbraw/zinc/15/33/19/554153319.db2.gz VFZPDQMCZWYOEB-GDBMZVCRSA-N 0 3 353.532 2.091 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@]2(C)CO)cc1 ZINC000330731633 554164001 /nfs/dbraw/zinc/16/40/01/554164001.db2.gz IYHDFMPDDRQMQN-SRCQZFHVSA-N 0 3 365.455 2.249 20 30 FEEDHN Cc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1NS(C)(=O)=O ZINC000331094732 554211781 /nfs/dbraw/zinc/21/17/81/554211781.db2.gz KOPMXPFISNHFAB-MRXNPFEDSA-N 0 3 371.528 2.108 20 30 FEEDHN CN1CCN(CCNC(=O)Nc2cc(C(F)(F)F)ccn2)CC1(C)C ZINC000331267622 554238726 /nfs/dbraw/zinc/23/87/26/554238726.db2.gz JQJXJKZGKVMPMG-UHFFFAOYSA-N 0 3 359.396 2.452 20 30 FEEDHN C=CCn1c(CCc2ccco2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000508808461 561773483 /nfs/dbraw/zinc/77/34/83/561773483.db2.gz HDVNAEKKANPSQB-QGZVFWFLSA-N 0 3 371.485 2.001 20 30 FEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000331350659 554249942 /nfs/dbraw/zinc/24/99/42/554249942.db2.gz YMTNLAODYDEFBO-MNOVXSKESA-N 0 3 370.393 2.214 20 30 FEEDHN CC1CCC(N2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)CC1 ZINC000331379736 554254180 /nfs/dbraw/zinc/25/41/80/554254180.db2.gz FZDMBVNLAMVCGW-UHFFFAOYSA-N 0 3 354.498 2.371 20 30 FEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000331484389 554272922 /nfs/dbraw/zinc/27/29/22/554272922.db2.gz GNYAZJKWWAZIBN-NSHGMRRFSA-N 0 3 353.422 2.037 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)C2)n1 ZINC000331582392 554288814 /nfs/dbraw/zinc/28/88/14/554288814.db2.gz JFMZRHKKIAQTFV-MNEFBYGVSA-N 0 3 369.513 2.323 20 30 FEEDHN Cc1onc(CC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000331643867 554301113 /nfs/dbraw/zinc/30/11/13/554301113.db2.gz PVEGAEDTNDCROD-GASCZTMLSA-N 0 3 374.485 2.135 20 30 FEEDHN C=CCc1cc(CNCCc2nnnn2-c2ccccc2)cc(OC)c1O ZINC000509437147 561799842 /nfs/dbraw/zinc/79/98/42/561799842.db2.gz GFMIJZULWZOJPY-UHFFFAOYSA-N 0 3 365.437 2.437 20 30 FEEDHN CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000509828016 561815526 /nfs/dbraw/zinc/81/55/26/561815526.db2.gz XDFSLVMUQFFIPH-UHFFFAOYSA-N 0 3 360.433 2.360 20 30 FEEDHN C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000332394143 554438387 /nfs/dbraw/zinc/43/83/87/554438387.db2.gz NOSNSPKXXFXJLT-MNEFBYGVSA-N 0 3 355.486 2.092 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000332992868 554555318 /nfs/dbraw/zinc/55/53/18/554555318.db2.gz AELCYZMMDRILSH-QYZOEREBSA-N 0 3 364.449 2.148 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1=O ZINC000348512040 554687484 /nfs/dbraw/zinc/68/74/84/554687484.db2.gz NDDHHQMYUGPATG-NJAFHUGGSA-N 0 3 357.454 2.163 20 30 FEEDHN C=C(Cl)CNC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000361101955 554904168 /nfs/dbraw/zinc/90/41/68/554904168.db2.gz DANKNCGNMMTJHQ-UHFFFAOYSA-N 0 3 371.890 2.140 20 30 FEEDHN N#CCCN(C(=O)CN1CCCN(C2CCOCC2)CC1)c1ccccc1 ZINC000361461189 554921430 /nfs/dbraw/zinc/92/14/30/554921430.db2.gz HJLSRDPOZIMWSF-UHFFFAOYSA-N 0 3 370.497 2.120 20 30 FEEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3CN3CCC[C@H]3CO)o2)cc1 ZINC000362814563 554990612 /nfs/dbraw/zinc/99/06/12/554990612.db2.gz OFXHGBDXJJTHNU-MSOLQXFVSA-N 0 3 367.453 2.029 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000363397913 555095340 /nfs/dbraw/zinc/09/53/40/555095340.db2.gz YYZBTFZDIAMMBR-CQSZACIVSA-N 0 3 366.469 2.185 20 30 FEEDHN N#CCOc1ccc(CNC(=O)c2cnn(CCN3CCCCC3)c2)cc1 ZINC000363551090 555135186 /nfs/dbraw/zinc/13/51/86/555135186.db2.gz KIKKOJZTQQTOFE-UHFFFAOYSA-N 0 3 367.453 2.201 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000363858152 555200654 /nfs/dbraw/zinc/20/06/54/555200654.db2.gz QYXFNFOIUSSFJY-ROUUACIJSA-N 0 3 350.422 2.337 20 30 FEEDHN C=CCN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364143368 555257852 /nfs/dbraw/zinc/25/78/52/555257852.db2.gz FURVHYYAYAWQPI-LJQANCHMSA-N 0 3 352.482 2.311 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364161889 555261172 /nfs/dbraw/zinc/26/11/72/555261172.db2.gz QIFFQUVTAZSWRG-IBGZPJMESA-N 0 3 373.497 2.267 20 30 FEEDHN C[C@H](NCCN1CCN(C(=O)C2CCC2)CC1)c1ccc(C#N)cc1F ZINC000512295884 561899030 /nfs/dbraw/zinc/89/90/30/561899030.db2.gz NRAZDAWBMQKURR-HNNXBMFYSA-N 0 3 358.461 2.292 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000364388296 555304105 /nfs/dbraw/zinc/30/41/05/555304105.db2.gz RWNZPZNZXNZOMD-HNNXBMFYSA-N 0 3 360.458 2.266 20 30 FEEDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000364597758 555348736 /nfs/dbraw/zinc/34/87/36/555348736.db2.gz GHZNRSJYCQQUCR-INIZCTEOSA-N 0 3 367.497 2.236 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000364615723 555354012 /nfs/dbraw/zinc/35/40/12/555354012.db2.gz GOXLVBCBXZHXTB-GMBSWORKSA-N 0 3 357.454 2.487 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000364772662 555398910 /nfs/dbraw/zinc/39/89/10/555398910.db2.gz ORUJWABEFYXMCD-OAHLLOKOSA-N 0 3 370.453 2.003 20 30 FEEDHN COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000364786607 555402481 /nfs/dbraw/zinc/40/24/81/555402481.db2.gz FOSNWVAJDFADDD-HNNXBMFYSA-N 0 3 361.490 2.295 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000364840448 555412592 /nfs/dbraw/zinc/41/25/92/555412592.db2.gz NEBKOQCNQCIZFD-FQEVSTJZSA-N 0 3 351.535 2.091 20 30 FEEDHN N#Cc1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000364880461 555423519 /nfs/dbraw/zinc/42/35/19/555423519.db2.gz LQVNSSZKGSPKND-IAGOWNOFSA-N 0 3 364.287 2.352 20 30 FEEDHN CCCCCCCCOCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000365537127 555602673 /nfs/dbraw/zinc/60/26/73/555602673.db2.gz PBNXHKDSJDSLLM-GOSISDBHSA-N 0 3 367.534 2.304 20 30 FEEDHN CN1CCC(n2ccc(=NC(=O)NCc3ccc(C#N)cc3F)[nH]2)CC1 ZINC000618790961 555677972 /nfs/dbraw/zinc/67/79/72/555677972.db2.gz RZQTZYSFSCIODN-UHFFFAOYSA-N 0 3 356.405 2.482 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3[C@@H]4CCCC[C@H]4C[C@H]3C(N)=O)C2=O)cc1 ZINC000366090816 555748616 /nfs/dbraw/zinc/74/86/16/555748616.db2.gz ZBGMEGCSUNKIBD-NQYYFHDYSA-N 0 3 366.465 2.172 20 30 FEEDHN C=CCN1CC[C@@H](N2CCC3(C[C@H]3c3nnc4n3CCCCC4)CC2)C1=O ZINC000367181770 556003070 /nfs/dbraw/zinc/00/30/70/556003070.db2.gz SLJAFXCQJHGZSQ-DLBZAZTESA-N 0 3 369.513 2.361 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CCN1C1CCN(C)CC1 ZINC000367444268 556050566 /nfs/dbraw/zinc/05/05/66/556050566.db2.gz AUUZBQQGDNSUHJ-AWEZNQCLSA-N 0 3 359.449 2.330 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000367851578 556154964 /nfs/dbraw/zinc/15/49/64/556154964.db2.gz AXODCLSYKJGIQZ-LSDHHAIUSA-N 0 3 370.453 2.049 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000368619105 556364627 /nfs/dbraw/zinc/36/46/27/556364627.db2.gz NNRQKHMNLLMFOL-HFTRVMKXSA-N 0 3 357.435 2.075 20 30 FEEDHN CCCN1CCN(C2CCN(C(=O)c3ccc(/C=N/OC)cc3)CC2)CC1 ZINC000369158875 556521052 /nfs/dbraw/zinc/52/10/52/556521052.db2.gz VIRFTDBGRHNONB-OQKWZONESA-N 0 3 372.513 2.299 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000369692350 556669472 /nfs/dbraw/zinc/66/94/72/556669472.db2.gz IVZQTTPAQODXAH-UYAOXDASSA-N 0 3 372.513 2.163 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000370026288 556761305 /nfs/dbraw/zinc/76/13/05/556761305.db2.gz MCUMQPIPDJRAOQ-HXUWFJFHSA-N 0 3 367.493 2.285 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000516578378 562049053 /nfs/dbraw/zinc/04/90/53/562049053.db2.gz JREDHORYJVNDPV-QANKJYHBSA-N 0 3 353.397 2.418 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000516514638 562045669 /nfs/dbraw/zinc/04/56/69/562045669.db2.gz CEXHMYAGACHDMY-OAGGEKHMSA-N 0 3 351.495 2.107 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000370246360 556821127 /nfs/dbraw/zinc/82/11/27/556821127.db2.gz FCUKKKDBCSHNTE-KRWDZBQOSA-N 0 3 355.486 2.380 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C)c(C(C)=O)c2)CC1 ZINC000516876479 562062287 /nfs/dbraw/zinc/06/22/87/562062287.db2.gz ZAXUFFMPVSDDQP-UHFFFAOYSA-N 0 3 357.454 2.293 20 30 FEEDHN C=CCC[C@@H](O)CN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000370504295 556893658 /nfs/dbraw/zinc/89/36/58/556893658.db2.gz GGLDWERJSOJWRF-MRXNPFEDSA-N 0 3 372.918 2.410 20 30 FEEDHN COc1ccc([C@@H](NCC(=O)NC2(C#N)CCC2)C2CCOCC2)cc1 ZINC000370516668 556897284 /nfs/dbraw/zinc/89/72/84/556897284.db2.gz DTQONDXYQIAYKD-LJQANCHMSA-N 0 3 357.454 2.315 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000516865644 562061572 /nfs/dbraw/zinc/06/15/72/562061572.db2.gz SNLCYWNDXWNCAP-IOASZLSFSA-N 0 3 363.439 2.015 20 30 FEEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ncc([N+](=O)[O-])cc1C#N ZINC000370710539 556946189 /nfs/dbraw/zinc/94/61/89/556946189.db2.gz UHSDZIXVVZKLFZ-YOEHRIQHSA-N 0 3 352.398 2.386 20 30 FEEDHN Cc1nnc([C@@H]2CC23CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC3)o1 ZINC000370812448 556975921 /nfs/dbraw/zinc/97/59/21/556975921.db2.gz VVMOWCGRRCSRMQ-AEFFLSMTSA-N 0 3 368.437 2.259 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000517217274 562079947 /nfs/dbraw/zinc/07/99/47/562079947.db2.gz GIJNGYNCCYDHSG-YXYZJKKLSA-N 0 3 361.486 2.104 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CS(C)(=O)=O)CC1 ZINC000518056169 562103541 /nfs/dbraw/zinc/10/35/41/562103541.db2.gz STWMUUZSVTYGFC-UHFFFAOYSA-N 0 3 351.472 2.003 20 30 FEEDHN COc1ccc(CN[C@H]2CCCN(c3ccccc3C(N)=O)C2)cc1C#N ZINC000371799811 557296627 /nfs/dbraw/zinc/29/66/27/557296627.db2.gz UXDNVMCNHGUOPR-KRWDZBQOSA-N 0 3 364.449 2.424 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000372018617 557357208 /nfs/dbraw/zinc/35/72/08/557357208.db2.gz XCESCTQRGSUJTO-INIZCTEOSA-N 0 3 371.462 2.385 20 30 FEEDHN N#CCCCOc1cccc(CNCCNS(=O)(=O)c2ccccc2)c1 ZINC000518785168 562118435 /nfs/dbraw/zinc/11/84/35/562118435.db2.gz PLOBFSXUARTHQL-UHFFFAOYSA-N 0 3 373.478 2.437 20 30 FEEDHN C=CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372600363 557517087 /nfs/dbraw/zinc/51/70/87/557517087.db2.gz MQOGXAXBIYRSQE-KRWDZBQOSA-N 0 3 369.425 2.080 20 30 FEEDHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000373100244 557628102 /nfs/dbraw/zinc/62/81/02/557628102.db2.gz QWQNTWAESXCZCD-MRXNPFEDSA-N 0 3 359.536 2.079 20 30 FEEDHN C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000373198149 557648260 /nfs/dbraw/zinc/64/82/60/557648260.db2.gz NHMDQDSZAYKNEM-YLJYHZDGSA-N 0 3 366.509 2.340 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000520189673 562150095 /nfs/dbraw/zinc/15/00/95/562150095.db2.gz NXRLVWRLBDWRJI-LJQANCHMSA-N 0 3 368.462 2.077 20 30 FEEDHN C=CCN(C[C@H](O)COC(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195996 562150353 /nfs/dbraw/zinc/15/03/53/562150353.db2.gz UBEDMFBUWOPHKA-YJBOKZPZSA-N 0 3 359.474 2.387 20 30 FEEDHN CN(C(=O)NCC1(CC#N)CC1)C1CCN(CCc2ccccn2)CC1 ZINC000373969587 557798101 /nfs/dbraw/zinc/79/81/01/557798101.db2.gz RFJPUUXBAHQGRO-UHFFFAOYSA-N 0 3 355.486 2.424 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@](CO)(c3ccccc3)C2)CC1 ZINC000374656820 557912947 /nfs/dbraw/zinc/91/29/47/557912947.db2.gz SYFUIQXMUBPHGI-NRFANRHFSA-N 0 3 357.498 2.373 20 30 FEEDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1ccc(C#N)cc1 ZINC000374794074 557932434 /nfs/dbraw/zinc/93/24/34/557932434.db2.gz NOGYVDNOZWDALA-IPQPSQTFSA-N 0 3 366.465 2.442 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CCN(CCc2ccncc2)CC1 ZINC000375012661 557964249 /nfs/dbraw/zinc/96/42/49/557964249.db2.gz MIYLWAZQZFDEGP-SFHVURJKSA-N 0 3 371.529 2.028 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H](n3cncn3)C1)CCCC2 ZINC000375319416 558008596 /nfs/dbraw/zinc/00/85/96/558008596.db2.gz ODMYZALREPNBLU-ZDUSSCGKSA-N 0 3 370.482 2.366 20 30 FEEDHN N#Cc1cc(Cl)ccc1CN1CCN(CCN2CCCOCC2)CC1 ZINC000375338346 558011498 /nfs/dbraw/zinc/01/14/98/558011498.db2.gz XRGAGYCHUHAFNO-UHFFFAOYSA-N 0 3 362.905 2.052 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000375665724 558064223 /nfs/dbraw/zinc/06/42/23/558064223.db2.gz RCHVTFQCJUYGLM-WMLDXEAASA-N 0 3 362.437 2.436 20 30 FEEDHN Cc1nnc([C@@H]2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574538 562179039 /nfs/dbraw/zinc/17/90/39/562179039.db2.gz NBQWXYJUZWOQPG-GOEBONIOSA-N 0 3 352.442 2.238 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@H]21 ZINC000376075044 558123310 /nfs/dbraw/zinc/12/33/10/558123310.db2.gz KYDTYTDXLGFHDJ-OXJNMPFZSA-N 0 3 370.472 2.466 20 30 FEEDHN CCN1CCC[C@@H](CN(C)c2nc(C)cc(C#N)n2)[C@@H]1c1cnn(C)c1 ZINC000376381508 558165804 /nfs/dbraw/zinc/16/58/04/558165804.db2.gz KMROHHCLZKRIJG-MAUKXSAKSA-N 0 3 353.474 2.300 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000376631949 558200262 /nfs/dbraw/zinc/20/02/62/558200262.db2.gz YEZXJUYIMCFACL-XFBWCDHKSA-N 0 3 363.439 2.061 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000376631947 558200311 /nfs/dbraw/zinc/20/03/11/558200311.db2.gz YEZXJUYIMCFACL-LYRGGWFBSA-N 0 3 363.439 2.061 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1 ZINC000377334627 558318223 /nfs/dbraw/zinc/31/82/23/558318223.db2.gz OTHQWIKYKQJDPE-NVXWUHKLSA-N 0 3 357.454 2.275 20 30 FEEDHN COc1cc(CNCCN2CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000390854676 558612824 /nfs/dbraw/zinc/61/28/24/558612824.db2.gz FYPQXJUQPHXABE-UHFFFAOYSA-N 0 3 364.493 2.474 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000409716501 558716215 /nfs/dbraw/zinc/71/62/15/558716215.db2.gz LPCJZIWNGMUGJR-GOSISDBHSA-N 0 3 361.511 2.000 20 30 FEEDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000410130635 558740511 /nfs/dbraw/zinc/74/05/11/558740511.db2.gz MTTUMODGUQBYGU-JKSUJKDBSA-N 0 3 358.552 2.203 20 30 FEEDHN N#Cc1ccc(C(=O)NCc2ccc(OCCN3CCCC3)cc2)nc1 ZINC000524695345 562232516 /nfs/dbraw/zinc/23/25/16/562232516.db2.gz CPYAYDOAWAAXQO-UHFFFAOYSA-N 0 3 350.422 2.358 20 30 FEEDHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000411695536 558946021 /nfs/dbraw/zinc/94/60/21/558946021.db2.gz ORIUBKZFFYLUIG-UHFFFAOYSA-N 0 3 356.451 2.149 20 30 FEEDHN CN(C)C(=O)CCN1CCC(Nc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413136221 559081760 /nfs/dbraw/zinc/08/17/60/559081760.db2.gz NSHUDABDFKFLRD-UHFFFAOYSA-N 0 3 369.391 2.327 20 30 FEEDHN N#Cc1ncc(C(F)(F)F)cc1NCC(=O)NCCN1CCCCCC1 ZINC000413294579 559096456 /nfs/dbraw/zinc/09/64/56/559096456.db2.gz BKVVVGQMTSJSOX-UHFFFAOYSA-N 0 3 369.391 2.376 20 30 FEEDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000414485756 559168068 /nfs/dbraw/zinc/16/80/68/559168068.db2.gz IKWNWQVBWNJVEK-AWEZNQCLSA-N 0 3 355.360 2.114 20 30 FEEDHN C[C@@H](NCC1(c2ccc(F)cc2)CCOCC1)C(=O)NC1(C#N)CCC1 ZINC000527039978 562274327 /nfs/dbraw/zinc/27/43/27/562274327.db2.gz DIPNKAWBLPADRX-OAHLLOKOSA-N 0 3 359.445 2.414 20 30 FEEDHN CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)[C@H](C)CN)sc2C1 ZINC000415419996 559233644 /nfs/dbraw/zinc/23/36/44/559233644.db2.gz RTQFJAOYSKBHNA-VXGBXAGGSA-N 0 3 362.499 2.125 20 30 FEEDHN N#CCCn1cc(CN[C@@H]2CCN(CC(F)F)C2)c(-c2ccncc2)n1 ZINC000418134559 559391449 /nfs/dbraw/zinc/39/14/49/559391449.db2.gz NMUAVHSIFRPCJQ-MRXNPFEDSA-N 0 3 360.412 2.288 20 30 FEEDHN CC[C@](CN[C@H](C)C(=O)NC1(C#N)CCC1)(C(=O)OC)c1ccccc1 ZINC000419365866 559439673 /nfs/dbraw/zinc/43/96/73/559439673.db2.gz YNOBBHGGZVHIKV-FOIQADDNSA-N 0 3 357.454 2.048 20 30 FEEDHN N#CC1(CNC(=O)NCc2ccccc2CN2CCC[C@H]2CO)CCC1 ZINC000419482054 559444572 /nfs/dbraw/zinc/44/45/72/559444572.db2.gz SNEVIOMFQOIMIR-SFHVURJKSA-N 0 3 356.470 2.136 20 30 FEEDHN C=CCC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1ccccc1 ZINC000419663876 559452479 /nfs/dbraw/zinc/45/24/79/559452479.db2.gz KYNZKGHKCZQCDO-HYVNUMGLSA-N 0 3 359.470 2.039 20 30 FEEDHN C=CCC[C@H]1NC(=O)N(CCCCN2CCN(c3ccccc3)CC2)C1=O ZINC000419943230 559465737 /nfs/dbraw/zinc/46/57/37/559465737.db2.gz IHZUYZLOOCPELZ-LJQANCHMSA-N 0 3 370.497 2.475 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419964641 559466742 /nfs/dbraw/zinc/46/67/42/559466742.db2.gz IZHFJPSBGIRVLG-LJQANCHMSA-N 0 3 370.497 2.321 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)CCCc2cccnc2)CC1 ZINC000422300536 559576841 /nfs/dbraw/zinc/57/68/41/559576841.db2.gz VIPKWIUYDJGSFO-QGZVFWFLSA-N 0 3 372.513 2.066 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000422301037 559576933 /nfs/dbraw/zinc/57/69/33/559576933.db2.gz WBAYHCKEJDQNPH-OALUTQOASA-N 0 3 369.509 2.423 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000422529905 559593175 /nfs/dbraw/zinc/59/31/75/559593175.db2.gz PTIQFSMVAPOAMV-UXHICEINSA-N 0 3 369.509 2.377 20 30 FEEDHN O=C(NCC(F)(F)F)C1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000527300408 562284507 /nfs/dbraw/zinc/28/45/07/562284507.db2.gz ZGGZDZOCRIBXIX-UHFFFAOYSA-N 0 3 368.293 2.294 20 30 FEEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)cccc1S(=O)(=O)NC(C)(C)C ZINC000424127015 559655549 /nfs/dbraw/zinc/65/55/49/559655549.db2.gz POJLASPMTCLYMM-CYBMUJFWSA-N 0 3 366.487 2.032 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000424142439 559655943 /nfs/dbraw/zinc/65/59/43/559655943.db2.gz UZUYFZRIXZNXSE-HNNXBMFYSA-N 0 3 354.376 2.375 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000424150859 559656232 /nfs/dbraw/zinc/65/62/32/559656232.db2.gz ZRPXMFNHPBDTQQ-OLZOCXBDSA-N 0 3 352.385 2.004 20 30 FEEDHN COc1cc(OC)c(NC(=O)[C@H](N)CCCC#N)cc1Br ZINC000424168586 559656556 /nfs/dbraw/zinc/65/65/56/559656556.db2.gz GDBICYJAGYLVTB-SNVBAGLBSA-N 0 3 356.220 2.426 20 30 FEEDHN CCOc1ccccc1CN1CCN(C(=O)[C@H](N)CCCC#N)[C@H](C)C1 ZINC000424178543 559656877 /nfs/dbraw/zinc/65/68/77/559656877.db2.gz WWCQRODFOROPDD-SJLPKXTDSA-N 0 3 358.486 2.139 20 30 FEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000424328800 559661623 /nfs/dbraw/zinc/66/16/23/559661623.db2.gz OSHOWUNQZWVQQA-JFGNBEQYSA-N 0 3 372.288 2.439 20 30 FEEDHN COC(=O)[C@@H]1CN(C(=O)C(C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000425010268 559683590 /nfs/dbraw/zinc/68/35/90/559683590.db2.gz MYIAPCCEGMKKFA-DDTOSNHZSA-N 0 3 365.227 2.324 20 30 FEEDHN C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CN1CCN(C)CC1 ZINC000425468434 559703682 /nfs/dbraw/zinc/70/36/82/559703682.db2.gz DOXNWYOZOAJBSE-SJORKVTESA-N 0 3 357.502 2.144 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425503222 559706269 /nfs/dbraw/zinc/70/62/69/559706269.db2.gz RPAYQMDEQDPNLC-SJORKVTESA-N 0 3 357.502 2.287 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)nn1 ZINC000425502261 559706330 /nfs/dbraw/zinc/70/63/30/559706330.db2.gz PNVGMOMQTNUCSL-IBGZPJMESA-N 0 3 370.501 2.420 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000425856672 559723022 /nfs/dbraw/zinc/72/30/22/559723022.db2.gz OPPVYJNAPDZXBL-HKUYNNGSSA-N 0 3 361.486 2.360 20 30 FEEDHN C=CCn1cc(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000425883642 559723831 /nfs/dbraw/zinc/72/38/31/559723831.db2.gz VUCLEEUWSQXMRA-LJQANCHMSA-N 0 3 368.485 2.270 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)c2ccccc2)cc1 ZINC000429947802 559809549 /nfs/dbraw/zinc/80/95/49/559809549.db2.gz UTYXRPJMVMOCQJ-CXAGYDPISA-N 0 3 373.434 2.227 20 30 FEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@@H](CCCC#N)c2ccccc2)C1 ZINC000433014514 559869975 /nfs/dbraw/zinc/86/99/75/559869975.db2.gz SJBAIEDEPAWYRY-MOPGFXCFSA-N 0 3 356.470 2.138 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000433357180 559878352 /nfs/dbraw/zinc/87/83/52/559878352.db2.gz WPWCAVBWCYBBEN-IRXDYDNUSA-N 0 3 357.479 2.187 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000433606005 559884955 /nfs/dbraw/zinc/88/49/55/559884955.db2.gz FHEWKXKHSWMRRB-HIFRSBDPSA-N 0 3 363.424 2.372 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2nc(C(C)(C)C)cs2)CC1 ZINC000434925200 559912701 /nfs/dbraw/zinc/91/27/01/559912701.db2.gz VBYUONHJKAOQSJ-UHFFFAOYSA-N 0 3 350.488 2.146 20 30 FEEDHN CCOC(=O)Cn1nc(C)c(CNCCOc2ccc(C#N)cc2)c1C ZINC000438186017 559975319 /nfs/dbraw/zinc/97/53/19/559975319.db2.gz DMFLWPAAJDAGCL-UHFFFAOYSA-N 0 3 356.426 2.103 20 30 FEEDHN CCCCN1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000440053230 560003859 /nfs/dbraw/zinc/00/38/59/560003859.db2.gz QYSSHKJUQUTZLW-UHFFFAOYSA-N 0 3 353.463 2.381 20 30 FEEDHN CN1CCN(CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1(C)C ZINC000441014895 560021514 /nfs/dbraw/zinc/02/15/14/560021514.db2.gz PYTFEXMIKRUTJI-SFHVURJKSA-N 0 3 357.502 2.357 20 30 FEEDHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000443392458 560082874 /nfs/dbraw/zinc/08/28/74/560082874.db2.gz XWPGUANLCWYEAM-INIZCTEOSA-N 0 3 353.463 2.486 20 30 FEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000448326019 560184872 /nfs/dbraw/zinc/18/48/72/560184872.db2.gz VRFQKXXPIDFWDJ-HNNXBMFYSA-N 0 3 362.861 2.387 20 30 FEEDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cc(C#N)[nH]c1C ZINC000448794175 560199723 /nfs/dbraw/zinc/19/97/23/560199723.db2.gz BEZLBPFAPYVOIR-MRXNPFEDSA-N 0 3 360.458 2.075 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1C#N ZINC000448911716 560206309 /nfs/dbraw/zinc/20/63/09/560206309.db2.gz QSCKTXABGALNFS-CQSZACIVSA-N 0 3 366.259 2.161 20 30 FEEDHN C[C@@H]1CCN(C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449854107 560242796 /nfs/dbraw/zinc/24/27/96/560242796.db2.gz FBQHDLPPXLDFRZ-GFCCVEGCSA-N 0 3 366.259 2.252 20 30 FEEDHN CN(C)CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000450720272 560271408 /nfs/dbraw/zinc/27/14/08/560271408.db2.gz XZDKAVVYIDECIF-AWEZNQCLSA-N 0 3 374.872 2.117 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000450891273 560276911 /nfs/dbraw/zinc/27/69/11/560276911.db2.gz JLARZZUGHCSKIH-OAHLLOKOSA-N 0 3 366.387 2.368 20 30 FEEDHN N#Cc1ccc(N2CCN([C@@H]3CCNC(=O)CC3)CC2)c(C(F)(F)F)c1 ZINC000450891784 560276928 /nfs/dbraw/zinc/27/69/28/560276928.db2.gz LJIQEVCMJJZVDB-AWEZNQCLSA-N 0 3 366.387 2.368 20 30 FEEDHN COc1ccc(CNCCN2C[C@H]3CC[C@@H](C2)O3)cc1OCCCC#N ZINC000451219911 560293804 /nfs/dbraw/zinc/29/38/04/560293804.db2.gz FKUVIDRFULPFNZ-HDICACEKSA-N 0 3 359.470 2.331 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533866 560312804 /nfs/dbraw/zinc/31/28/04/560312804.db2.gz XBBQMDIEOLDNPP-NRFANRHFSA-N 0 3 371.500 2.443 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3cc(C#N)ccc3F)C2)CC1 ZINC000451541691 560313258 /nfs/dbraw/zinc/31/32/58/560313258.db2.gz ZWQKAHBKUOWABO-IBGZPJMESA-N 0 3 372.488 2.464 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000451674591 560321442 /nfs/dbraw/zinc/32/14/42/560321442.db2.gz NNLJRMNEDWQUJV-MSOLQXFVSA-N 0 3 350.434 2.376 20 30 FEEDHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453647259 560393198 /nfs/dbraw/zinc/39/31/98/560393198.db2.gz RJFHMPKFTBIROH-GOSISDBHSA-N 0 3 356.470 2.462 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000453669154 560395144 /nfs/dbraw/zinc/39/51/44/560395144.db2.gz ITEMXRKDVAGXQY-SFHVURJKSA-N 0 3 354.454 2.282 20 30 FEEDHN C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000454912647 560463189 /nfs/dbraw/zinc/46/31/89/560463189.db2.gz NCFJYKVQMDKIEA-RBUKOAKNSA-N 0 3 364.534 2.317 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000455957947 560502127 /nfs/dbraw/zinc/50/21/27/560502127.db2.gz QXRAYUNCUSKQED-INIZCTEOSA-N 0 3 355.486 2.499 20 30 FEEDHN CO[C@@H]([C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000459211041 560674224 /nfs/dbraw/zinc/67/42/24/560674224.db2.gz WVVLJPAQSQVTRG-BEFAXECRSA-N 0 3 358.486 2.445 20 30 FEEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000460804423 560752316 /nfs/dbraw/zinc/75/23/16/560752316.db2.gz PXUBVUQVDFKHNK-SFHVURJKSA-N 0 3 358.534 2.338 20 30 FEEDHN N#CCN1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000461482730 560773680 /nfs/dbraw/zinc/77/36/80/560773680.db2.gz SBFWOPNIZREIHS-MOPGFXCFSA-N 0 3 372.488 2.389 20 30 FEEDHN C[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CCC[C@H](C)C1 ZINC000462128997 560798316 /nfs/dbraw/zinc/79/83/16/560798316.db2.gz OTQJGUCLYYIDAF-JKSUJKDBSA-N 0 3 356.470 2.451 20 30 FEEDHN COc1cc(CNC(=O)CC2(N3CCOCC3)CCCC2)ccc1C#N ZINC000464701835 560848711 /nfs/dbraw/zinc/84/87/11/560848711.db2.gz VCLAOEOZTDYHFR-UHFFFAOYSA-N 0 3 357.454 2.218 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000468013234 560921144 /nfs/dbraw/zinc/92/11/44/560921144.db2.gz DIVMJQVBDZAOMJ-DOTOQJQBSA-N 0 3 350.484 2.378 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)N1CCOCC1 ZINC000471620481 561008987 /nfs/dbraw/zinc/00/89/87/561008987.db2.gz JSDKPEOXJPLRPR-VQTJNVASSA-N 0 3 368.481 2.104 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000471855043 561012989 /nfs/dbraw/zinc/01/29/89/561012989.db2.gz DQEMUSOPJVBXHS-UAGQMJEPSA-N 0 3 359.470 2.360 20 30 FEEDHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000472623554 561031185 /nfs/dbraw/zinc/03/11/85/561031185.db2.gz MARIOJWDJAFLAV-ROUUACIJSA-N 0 3 365.499 2.319 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(F)cc(F)c2OC)CC1 ZINC000473141181 561042719 /nfs/dbraw/zinc/04/27/19/561042719.db2.gz FYJMKHTZAOIMBL-UHFFFAOYSA-N 0 3 367.396 2.069 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)C(C)C ZINC000474062682 561064724 /nfs/dbraw/zinc/06/47/24/561064724.db2.gz WPYGBEIOVNULDY-GGPKGHCWSA-N 0 3 365.518 2.274 20 30 FEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C)(N2CCOCC2)CC1 ZINC000528728079 562344328 /nfs/dbraw/zinc/34/43/28/562344328.db2.gz LIPVSGLGHODKEC-INIZCTEOSA-N 0 3 356.470 2.072 20 30 FEEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(=O)N3CCOCC3)cc2)nc(C)n1 ZINC000528920973 562353046 /nfs/dbraw/zinc/35/30/46/562353046.db2.gz WUEXSMMOGURQEJ-QGZVFWFLSA-N 0 3 364.405 2.056 20 30 FEEDHN COc1ccccc1N1CC[C@H](NC[C@H](O)COc2ccccc2C#N)C1 ZINC000530232842 562403267 /nfs/dbraw/zinc/40/32/67/562403267.db2.gz TTWKAZZFGKKYMX-ROUUACIJSA-N 0 3 367.449 2.175 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000531283686 562440515 /nfs/dbraw/zinc/44/05/15/562440515.db2.gz KDVXVODOYICVAK-CABCVRRESA-N 0 3 374.510 2.335 20 30 FEEDHN C=CC[C@@H](CO)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000540997775 562599972 /nfs/dbraw/zinc/59/99/72/562599972.db2.gz LYJHGZBBEQIUCO-INIZCTEOSA-N 0 3 353.507 2.036 20 30 FEEDHN Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@H]2C#N)ccc1OCCN(C)C ZINC000602061719 567922699 /nfs/dbraw/zinc/92/26/99/567922699.db2.gz GSSJUKQFSQLIRH-DOTOQJQBSA-N 0 3 372.469 2.025 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N(CC#N)C3CCCC3)ccc2[nH]c1=O ZINC000602103393 567927789 /nfs/dbraw/zinc/92/77/89/567927789.db2.gz PXXGOUUWCCQAMQ-UHFFFAOYSA-N 0 3 355.442 2.212 20 30 FEEDHN Cc1ccc([C@H](CNC(=O)N2CCN(CCC#N)CC2)N2CCCC2)cc1 ZINC000602240303 567955312 /nfs/dbraw/zinc/95/53/12/567955312.db2.gz JSZGOUMBJMKEPI-FQEVSTJZSA-N 0 3 369.513 2.373 20 30 FEEDHN Cc1ccc(S(=O)(=O)NCCN[C@H](C)CC2(C#N)CCOCC2)s1 ZINC000602579611 567993593 /nfs/dbraw/zinc/99/35/93/567993593.db2.gz BXVCCIXTNCZGPR-CYBMUJFWSA-N 0 3 371.528 2.023 20 30 FEEDHN N#CC1(C[C@H](O)CN2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000602886101 568005744 /nfs/dbraw/zinc/00/57/44/568005744.db2.gz JCAZKSRLLRWFRA-UONOGXRCSA-N 0 3 366.259 2.352 20 30 FEEDHN Cn1cc([C@@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1 ZINC000568468361 568041508 /nfs/dbraw/zinc/04/15/08/568041508.db2.gz VYEUQALHOKRWCE-MJGOQNOKSA-N 0 3 354.454 2.157 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-n2ccnc2)nn1)C(C)C ZINC000603287928 568083061 /nfs/dbraw/zinc/08/30/61/568083061.db2.gz YNWWGEVHTHPENA-QGZVFWFLSA-N 0 3 354.458 2.091 20 30 FEEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000669178329 568268068 /nfs/dbraw/zinc/26/80/68/568268068.db2.gz DHEILEBSPIOJCR-GOSISDBHSA-N 0 3 370.497 2.229 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000735419914 598304981 /nfs/dbraw/zinc/30/49/81/598304981.db2.gz JYPNLEFFSRMXNE-UHFFFAOYSA-N 0 3 369.473 2.049 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+](CC)C1CC1 ZINC000735419914 598304982 /nfs/dbraw/zinc/30/49/82/598304982.db2.gz JYPNLEFFSRMXNE-UHFFFAOYSA-N 0 3 369.473 2.049 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820420155 599302546 /nfs/dbraw/zinc/30/25/46/599302546.db2.gz NEBWSNCUNVOQHP-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN C=CCC[C@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000819734493 607390404 /nfs/dbraw/zinc/39/04/04/607390404.db2.gz PEHTUXSUMQUFMU-YOEHRIQHSA-N 0 3 364.457 2.402 20 30 FEEDHN C=CCC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1 ZINC000819734493 607390405 /nfs/dbraw/zinc/39/04/05/607390405.db2.gz PEHTUXSUMQUFMU-YOEHRIQHSA-N 0 3 364.457 2.402 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000824584907 608484533 /nfs/dbraw/zinc/48/45/33/608484533.db2.gz JJTKONJVSYGXBE-NSHDSACASA-N 0 3 367.438 2.479 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000824584907 608484534 /nfs/dbraw/zinc/48/45/34/608484534.db2.gz JJTKONJVSYGXBE-NSHDSACASA-N 0 3 367.438 2.479 20 30 FEEDHN CC[C@@H](C#N)Oc1cc(CNC2CCS(=O)(=O)CC2)ccc1OC ZINC000812832005 674701037 /nfs/dbraw/zinc/70/10/37/674701037.db2.gz PLBULRCRICKFEP-HNNXBMFYSA-N 0 3 352.456 2.043 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2ncccn2)cc1Cl ZINC000813059792 674715309 /nfs/dbraw/zinc/71/53/09/674715309.db2.gz HZWFBMQYWLINOB-GFCCVEGCSA-N 0 3 358.785 2.419 20 30 FEEDHN C=CCNC(=O)CN1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203970 674929988 /nfs/dbraw/zinc/92/99/88/674929988.db2.gz PCLXSNXLIIKMNM-CVEARBPZSA-N 0 3 351.491 2.400 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000563720168 674932876 /nfs/dbraw/zinc/93/28/76/674932876.db2.gz ACVPSAQDYBGMCS-CXAGYDPISA-N 0 3 351.447 2.086 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](CO)C1CCOCC1 ZINC000569280259 670536227 /nfs/dbraw/zinc/53/62/27/670536227.db2.gz AYEXFIKOBHAESL-INIZCTEOSA-N 0 3 350.484 2.280 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@@H]2CCC(=O)N2)cc1OC ZINC000076760148 670555326 /nfs/dbraw/zinc/55/53/26/670555326.db2.gz SHKWGRFHNSDMDA-LBPRGKRZSA-N 0 3 369.259 2.391 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000111641773 670860076 /nfs/dbraw/zinc/86/00/76/670860076.db2.gz MBBMLOWWAHUELS-INIZCTEOSA-N 0 3 355.265 2.488 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc2nncn2c1 ZINC000113653323 670886442 /nfs/dbraw/zinc/88/64/42/670886442.db2.gz OJAZHAMTNBBWHC-NSHDSACASA-N 0 3 357.732 2.483 20 30 FEEDHN C#CCSCCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000121482677 671950568 /nfs/dbraw/zinc/95/05/68/671950568.db2.gz BPCSANFAMCRCQY-UHFFFAOYSA-N 0 3 355.454 2.404 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000582961739 672050062 /nfs/dbraw/zinc/05/00/62/672050062.db2.gz BDZGPTPWPMBBSA-TZMCWYRMSA-N 0 3 365.275 2.165 20 30 FEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)Sc2nncn2C)cc1 ZINC000128531356 672050302 /nfs/dbraw/zinc/05/03/02/672050302.db2.gz WBKGCRZVHMKHFV-SMDDNHRTSA-N 0 3 357.439 2.206 20 30 FEEDHN N#CC(C(=O)Cn1c2ccccc2nc1SC(F)F)C(=O)NC1CC1 ZINC000129268708 672059914 /nfs/dbraw/zinc/05/99/14/672059914.db2.gz BYTOGVLFCQZZQY-SNVBAGLBSA-N 0 3 364.377 2.338 20 30 FEEDHN N#CC1(CS(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC000584689343 672205941 /nfs/dbraw/zinc/20/59/41/672205941.db2.gz JDPQNJTVGCDCGV-MSOLQXFVSA-N 0 3 359.495 2.074 20 30 FEEDHN COc1ccc(Br)c(CC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000179457301 672402134 /nfs/dbraw/zinc/40/21/34/672402134.db2.gz ZSXMUPFXNTUDNW-LBPRGKRZSA-N 0 3 353.216 2.234 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000611217545 676025985 /nfs/dbraw/zinc/02/59/85/676025985.db2.gz KWOSBLDVNCKCPC-OKZBNKHCSA-N 0 3 358.511 2.031 20 30 FEEDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000590753037 672610574 /nfs/dbraw/zinc/61/05/74/672610574.db2.gz ZBJQYIHPRWGUQH-QKCSRTOESA-N 0 3 361.467 2.367 20 30 FEEDHN CN(CCC#N)C[C@H](O)CNCc1cc(Cl)cc(Br)c1 ZINC000591771031 672709858 /nfs/dbraw/zinc/70/98/58/672709858.db2.gz MUQKGBHXRMIGJV-CQSZACIVSA-N 0 3 360.683 2.398 20 30 FEEDHN CN1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000592089482 672752813 /nfs/dbraw/zinc/75/28/13/672752813.db2.gz VTSCFGMGZFXEEZ-MJGOQNOKSA-N 0 3 355.463 2.182 20 30 FEEDHN C=CCN1CCC(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000592313422 672785621 /nfs/dbraw/zinc/78/56/21/672785621.db2.gz JUBVAVRFLNOWAU-UHFFFAOYSA-N 0 3 361.511 2.123 20 30 FEEDHN N#Cc1sccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000593565838 672945233 /nfs/dbraw/zinc/94/52/33/672945233.db2.gz AEGKELUHWHHBCO-JSGCOSHPSA-N 0 3 351.497 2.257 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@@H]2C1 ZINC000593589995 672952567 /nfs/dbraw/zinc/95/25/67/672952567.db2.gz WPPPFVDUKIDWQG-BLLLJJGKSA-N 0 3 362.271 2.416 20 30 FEEDHN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](N)CCCCC#N)c1C ZINC000594431083 673071032 /nfs/dbraw/zinc/07/10/32/673071032.db2.gz HBRAQJIJJIHRSP-CQSZACIVSA-N 0 3 366.487 2.497 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000594434754 673071424 /nfs/dbraw/zinc/07/14/24/673071424.db2.gz SNDIDGZCUBZFIO-AWEZNQCLSA-N 0 3 361.833 2.460 20 30 FEEDHN CSCC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1nnc2ccccn21 ZINC000594440612 673071704 /nfs/dbraw/zinc/07/17/04/673071704.db2.gz HAFRORKGDFQYLZ-KBPBESRZSA-N 0 3 360.487 2.051 20 30 FEEDHN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@H](N)CCCCC#N)n1 ZINC000594456560 673074933 /nfs/dbraw/zinc/07/49/33/673074933.db2.gz QLINNNMSLZLVQW-OCCSQVGLSA-N 0 3 364.471 2.395 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)NC[C@]3(C)CCOC3)CC2)C[C@@H](C)O1 ZINC000329560612 673079308 /nfs/dbraw/zinc/07/93/08/673079308.db2.gz RGZSONFJFUBCKE-MDZRGWNJSA-N 0 3 353.507 2.148 20 30 FEEDHN O=C(N[C@H]1CCOC2(CCOCC2)C1)N1CCN(C2CCCC2)CC1 ZINC000330255762 673088142 /nfs/dbraw/zinc/08/81/42/673088142.db2.gz KCLPBERJOVSDPA-INIZCTEOSA-N 0 3 351.491 2.189 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCCCNC1=O ZINC000729851755 673250605 /nfs/dbraw/zinc/25/06/05/673250605.db2.gz KMALSWLNXKJCII-TZMCWYRMSA-N 0 3 356.451 2.073 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000597005845 673436873 /nfs/dbraw/zinc/43/68/73/673436873.db2.gz ZZRFZPFFAMETFQ-VXGBXAGGSA-N 0 3 358.316 2.489 20 30 FEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)s1 ZINC000539473350 673492152 /nfs/dbraw/zinc/49/21/52/673492152.db2.gz RJXUNVFGTKLXED-CYBMUJFWSA-N 0 3 357.435 2.034 20 30 FEEDHN CC(C)[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN1 ZINC000598571124 673585093 /nfs/dbraw/zinc/58/50/93/673585093.db2.gz GNVPDOXPZGSXJI-OAHLLOKOSA-N 0 3 350.260 2.320 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600758406 673796981 /nfs/dbraw/zinc/79/69/81/673796981.db2.gz DGVPTZLEQZZIGV-HOTGVXAUSA-N 0 3 360.285 2.213 20 30 FEEDHN O=C(NCCNC[C@@H](O)c1ccc(Cl)cc1Cl)C1N=CC=CC1=O ZINC000819049624 675255451 /nfs/dbraw/zinc/25/54/51/675255451.db2.gz MFOBWPLDLUPBTG-PQDJCJPTSA-N 0 3 370.236 2.143 20 30 FEEDHN CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(F)c1 ZINC000567690018 675312958 /nfs/dbraw/zinc/31/29/58/675312958.db2.gz WWVZGRXQPDGIKI-UHFFFAOYSA-N 0 3 361.442 2.433 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C=C)C(=O)OC ZINC000619688487 676390982 /nfs/dbraw/zinc/39/09/82/676390982.db2.gz PWFFFVWEEXGLFW-AWEZNQCLSA-N 0 3 350.488 2.312 20 30 FEEDHN CC#CC[C@H](CO)NCc1ccc(Br)cc1N1CCOCC1 ZINC000641768153 677215298 /nfs/dbraw/zinc/21/52/98/677215298.db2.gz XMNKCYPGQQJYMX-MRXNPFEDSA-N 0 3 367.287 2.150 20 30 FEEDHN C=CCC1(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCC1 ZINC000663914981 678808267 /nfs/dbraw/zinc/80/82/67/678808267.db2.gz CNRQJTZWZJEIKC-MRXNPFEDSA-N 0 3 350.507 2.117 20 30 FEEDHN CCCCCCNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000748318221 679951644 /nfs/dbraw/zinc/95/16/44/679951644.db2.gz NYYJISWWJJAECW-DLBZAZTESA-N 0 3 350.507 2.155 20 30 FEEDHN CCCCCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000748318223 679951810 /nfs/dbraw/zinc/95/18/10/679951810.db2.gz NYYJISWWJJAECW-IAGOWNOFSA-N 0 3 350.507 2.155 20 30 FEEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000752084838 680222595 /nfs/dbraw/zinc/22/25/95/680222595.db2.gz XUVBLHOHWRBEBY-JKSUJKDBSA-N 0 3 351.491 2.422 20 30 FEEDHN C[C@@H]1CN(C)CC1=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000752157890 680225819 /nfs/dbraw/zinc/22/58/19/680225819.db2.gz FGNZOLGOWWUQSX-OAHLLOKOSA-N 0 3 359.543 2.053 20 30 FEEDHN COC(=O)[C@]1(F)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000752309906 680235596 /nfs/dbraw/zinc/23/55/96/680235596.db2.gz OAJHULYZZORPLE-DIFFPNOSSA-N 0 3 361.398 2.060 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN(CCc2ccns2)C1 ZINC001023643294 680268658 /nfs/dbraw/zinc/26/86/58/680268658.db2.gz TYWSUSCRPCVQBD-NJAFHUGGSA-N 0 3 363.527 2.495 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)c(CO)c2)CC1 ZINC000912171915 685323761 /nfs/dbraw/zinc/32/37/61/685323761.db2.gz VUKIODFWKGPYLD-UHFFFAOYSA-N 0 3 351.244 2.225 20 30 FEEDHN N#CC(C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000835341082 680321275 /nfs/dbraw/zinc/32/12/75/680321275.db2.gz SDVLVNSQEBAJFJ-IJLUTSLNSA-N 0 3 355.272 2.118 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2COc3ccccc3C2)c1 ZINC000753910039 680323792 /nfs/dbraw/zinc/32/37/92/680323792.db2.gz CTWUANOMIJHBKN-MRXNPFEDSA-N 0 3 356.447 2.173 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001032041721 680411641 /nfs/dbraw/zinc/41/16/41/680411641.db2.gz YFGJUAQVTBSFQW-SQNIBIBYSA-N 0 3 350.503 2.221 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN1CCC1CCOCC1 ZINC001038800952 680461267 /nfs/dbraw/zinc/46/12/67/680461267.db2.gz VXABUDCKIPEHRG-QYZOEREBSA-N 0 3 350.503 2.365 20 30 FEEDHN Cc1nsc(N[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@H]2C)c1C#N ZINC001043326282 680574270 /nfs/dbraw/zinc/57/42/70/680574270.db2.gz CZNUAFMQBQDYNJ-DAXOMENPSA-N 0 3 361.515 2.455 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@H]1N(C)C ZINC000759992664 680674127 /nfs/dbraw/zinc/67/41/27/680674127.db2.gz IVLITRLFQYSHKH-UKRRQHHQSA-N 0 3 352.435 2.237 20 30 FEEDHN COC(=O)CC1(NCc2cc(Cl)ccc2OCC#N)CCOCC1 ZINC000768551769 680950283 /nfs/dbraw/zinc/95/02/83/680950283.db2.gz KOQUCBHMNZVBLH-UHFFFAOYSA-N 0 3 352.818 2.444 20 30 FEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 ZINC000932903145 681325543 /nfs/dbraw/zinc/32/55/43/681325543.db2.gz OXFVQSNDBZQSRR-KGLIPLIRSA-N 0 3 358.364 2.442 20 30 FEEDHN C#CCC1(NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCCCC1 ZINC000933265207 681382174 /nfs/dbraw/zinc/38/21/74/681382174.db2.gz UKGVHMQOWQBQJL-UHFFFAOYSA-N 0 3 366.458 2.484 20 30 FEEDHN C=CCN1CC[C@@H](N[C@@](C)(CO)Cc2ccc(Br)cc2)C1=O ZINC000933443815 681413682 /nfs/dbraw/zinc/41/36/82/681413682.db2.gz ZMSWJCAZYFCENU-NVXWUHKLSA-N 0 3 367.287 2.119 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933447888 681414692 /nfs/dbraw/zinc/41/46/92/681414692.db2.gz HHRPTKOYPAVZNN-KSSFIOAISA-N 0 3 351.878 2.231 20 30 FEEDHN CN(C)[S@@](C)(=O)=NCC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000934750121 681620749 /nfs/dbraw/zinc/62/07/49/681620749.db2.gz LUUPAVROWORDSX-VWLOTQADSA-N 0 3 364.515 2.223 20 30 FEEDHN COc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)c(Br)c1 ZINC000850758246 681956732 /nfs/dbraw/zinc/95/67/32/681956732.db2.gz BNUGVTGFYLPQJG-CYBMUJFWSA-N 0 3 365.227 2.378 20 30 FEEDHN N#CC(C(=O)C[C@@H](n1cccn1)C(F)(F)F)C(=O)Nc1ccccn1 ZINC000850783050 681959529 /nfs/dbraw/zinc/95/95/29/681959529.db2.gz VFKFSIWFSUVNTD-ZYHUDNBSSA-N 0 3 351.288 2.119 20 30 FEEDHN C=CCOc1ccc(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)cc1 ZINC000915516599 685515791 /nfs/dbraw/zinc/51/57/91/685515791.db2.gz AXWMRRAWWKLRBX-SFHVURJKSA-N 0 3 350.484 2.157 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000783531207 682150244 /nfs/dbraw/zinc/15/02/44/682150244.db2.gz IBADBPRCYKZIKV-LBPRGKRZSA-N 0 3 374.890 2.256 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(CC(NCc3cnns3)C2)C1 ZINC000965425256 682190438 /nfs/dbraw/zinc/19/04/38/682190438.db2.gz SNYAADKOYQWOGS-YRJJUTJMSA-N 0 3 362.499 2.036 20 30 FEEDHN CC(=O)N[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1cccs1 ZINC000916895234 685528541 /nfs/dbraw/zinc/52/85/41/685528541.db2.gz HKYMYYIJOGLYOX-HUUCEWRRSA-N 0 3 361.467 2.473 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCn2nc(C(F)(F)F)cc2C)CC1 ZINC000917136373 685529969 /nfs/dbraw/zinc/52/99/69/685529969.db2.gz BQUDAHLVRAHTRT-UHFFFAOYSA-N 0 3 359.396 2.160 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000853097039 682375700 /nfs/dbraw/zinc/37/57/00/682375700.db2.gz UECCJFXZLIEAPV-IHRRRGAJSA-N 0 3 351.447 2.305 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000786928110 682419935 /nfs/dbraw/zinc/41/99/35/682419935.db2.gz BFHHPMKDDUWHQV-SCVCMEIPSA-N 0 3 365.792 2.418 20 30 FEEDHN CCN1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1=O ZINC000787320468 682450001 /nfs/dbraw/zinc/45/00/01/682450001.db2.gz VRNKPHPPBPLIPK-ZDUSSCGKSA-N 0 3 356.451 2.027 20 30 FEEDHN CN(C)Cc1ccc(S(=O)(=O)NCc2ccc(OCC#N)cc2)cc1 ZINC000788619106 682543536 /nfs/dbraw/zinc/54/35/36/682543536.db2.gz DKXFJOQWFMXWOE-UHFFFAOYSA-N 0 3 359.451 2.129 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000854663227 682577022 /nfs/dbraw/zinc/57/70/22/682577022.db2.gz ZTYSBRKATLDCQM-UHFFFAOYSA-N 0 3 355.280 2.086 20 30 FEEDHN CC(=NNC(=S)NC1CCN(Cc2ccccc2)CC1)c1ncc[nH]1 ZINC000790147246 682658322 /nfs/dbraw/zinc/65/83/22/682658322.db2.gz ACIYWGDITSGJJQ-UHFFFAOYSA-N 0 3 356.499 2.262 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cnc(OC)c(Br)c2C)CC1 ZINC000855471376 682674320 /nfs/dbraw/zinc/67/43/20/682674320.db2.gz OZSIIGONOVGQEZ-UHFFFAOYSA-N 0 3 366.259 2.445 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CCC(F)F)cc1OC ZINC000796636661 683180072 /nfs/dbraw/zinc/18/00/72/683180072.db2.gz PQTOWNBFJUHUNL-GFCCVEGCSA-N 0 3 354.353 2.117 20 30 FEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COCc2nnc(C)s2)cc1 ZINC000796796418 683196307 /nfs/dbraw/zinc/19/63/07/683196307.db2.gz DICWMKMQOGHUSU-CQSZACIVSA-N 0 3 358.423 2.273 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000930310507 683709382 /nfs/dbraw/zinc/70/93/82/683709382.db2.gz HCFCTEFJBCFCSK-OWCLPIDISA-N 0 3 351.491 2.399 20 30 FEEDHN C[C@@]1(NC(=O)Cc2ccc(Br)cc2C#N)CN2CCC1CC2 ZINC000864085313 683800658 /nfs/dbraw/zinc/80/06/58/683800658.db2.gz UYOPEJALTKRWPV-QGZVFWFLSA-N 0 3 362.271 2.464 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000865194523 683949058 /nfs/dbraw/zinc/94/90/58/683949058.db2.gz XQRVMXHYVAQHPG-UHFFFAOYSA-N 0 3 363.259 2.477 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C2OCCO2)C1 ZINC000932003597 684387099 /nfs/dbraw/zinc/38/70/99/684387099.db2.gz WRXKTQZTDKQVNO-GJZGRUSLSA-N 0 3 350.484 2.346 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000869702652 684645463 /nfs/dbraw/zinc/64/54/63/684645463.db2.gz RZTJAVJHUSOQFI-KRWDZBQOSA-N 0 3 352.837 2.364 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000870308212 684704377 /nfs/dbraw/zinc/70/43/77/684704377.db2.gz ILELCURTJOICMK-QRTARXTBSA-N 0 3 364.829 2.107 20 30 FEEDHN COC(=O)[C@@H]1O[C@@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC000870379551 684713555 /nfs/dbraw/zinc/71/35/55/684713555.db2.gz XRRVAFKXNJRFQE-ZJIMWXPPSA-N 0 3 356.300 2.243 20 30 FEEDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)Nc2nc(Cl)c(C#N)s2)cn1 ZINC000875681762 686063596 /nfs/dbraw/zinc/06/35/96/686063596.db2.gz KDELKDYWJUYJQI-MNOVXSKESA-N 0 3 364.862 2.076 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000876593865 686226005 /nfs/dbraw/zinc/22/60/05/686226005.db2.gz JGBHBJBUMAOWSE-INIZCTEOSA-N 0 3 367.852 2.150 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000876615617 686229208 /nfs/dbraw/zinc/22/92/08/686229208.db2.gz JGVXMAFZAFWBAH-HNNXBMFYSA-N 0 3 370.280 2.484 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000876680665 686242285 /nfs/dbraw/zinc/24/22/85/686242285.db2.gz GVXWFSHIIVGSPN-OLZOCXBDSA-N 0 3 356.253 2.422 20 30 FEEDHN CN(C)[C@@H](CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722804 686253758 /nfs/dbraw/zinc/25/37/58/686253758.db2.gz FMUMMHRKVPKYAC-ZWKOTPCHSA-N 0 3 354.479 2.226 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000876727679 686254453 /nfs/dbraw/zinc/25/44/53/686254453.db2.gz QSMDEVZGWVFAPP-KBPBESRZSA-N 0 3 350.850 2.037 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000876891439 686288202 /nfs/dbraw/zinc/28/82/02/686288202.db2.gz YBMILINIGPXNPO-AWEZNQCLSA-N 0 3 358.269 2.263 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000876902757 686291771 /nfs/dbraw/zinc/29/17/71/686291771.db2.gz GLLHKNSKBAYGOV-KCQAQPDRSA-N 0 3 356.253 2.198 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2cc(OC)ccc2Cl)CC1 ZINC000876945311 686299116 /nfs/dbraw/zinc/29/91/16/686299116.db2.gz YEEGVEUCIPPONZ-AWEZNQCLSA-N 0 3 358.269 2.467 20 30 FEEDHN COc1ccc(OC(F)F)c(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884075302 687783841 /nfs/dbraw/zinc/78/38/41/687783841.db2.gz UEJXUXYMBHRKIA-VVHFOWEKSA-N 0 3 351.353 2.374 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000884160712 687804475 /nfs/dbraw/zinc/80/44/75/687804475.db2.gz MEFHYLMNPUJAFE-MRXNPFEDSA-N 0 3 362.499 2.190 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCN(c3ccccc3Cl)CC1)C2 ZINC000884175777 687807577 /nfs/dbraw/zinc/80/75/77/687807577.db2.gz HNAJARBERIWNJJ-XAUUPUKJSA-N 0 3 358.873 2.128 20 30 FEEDHN N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cc(Br)ccc1[O-])C2 ZINC000884268609 687834398 /nfs/dbraw/zinc/83/43/98/687834398.db2.gz NGEWHYQQRIGRAF-VOZQYIJBSA-N 0 3 350.216 2.233 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885476196 688081998 /nfs/dbraw/zinc/08/19/98/688081998.db2.gz AKOZAWDKDQIWDK-LSDHHAIUSA-N 0 3 350.459 2.156 20 30 FEEDHN C#CCN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)C1CCN(C)CC1 ZINC000886585128 688280117 /nfs/dbraw/zinc/28/01/17/688280117.db2.gz JKAYDVWIBOIJCV-UHFFFAOYSA-N 0 3 362.857 2.210 20 30 FEEDHN COC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCCOC1 ZINC000886913656 688339877 /nfs/dbraw/zinc/33/98/77/688339877.db2.gz HOILGGRZBKXCHQ-DZGCQCFKSA-N 0 3 351.472 2.206 20 30 FEEDHN CCN1CCN(CCC(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000887994879 688532849 /nfs/dbraw/zinc/53/28/49/688532849.db2.gz NLXAORBZXCKRQN-UHFFFAOYSA-N 0 3 365.275 2.287 20 30 FEEDHN N#Cc1csc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000892019851 689141398 /nfs/dbraw/zinc/14/13/98/689141398.db2.gz OMCYKCZFNGRXLW-HNNXBMFYSA-N 0 3 355.467 2.479 20 30 FEEDHN N#CC(C(=O)C[C@@H]1CCNC1=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892496976 689204127 /nfs/dbraw/zinc/20/41/27/689204127.db2.gz UGLPFLGSKLYJBN-WPRPVWTQSA-N 0 3 354.193 2.167 20 30 FEEDHN C[C@]1(Br)C[C@@H]1CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000894005539 689447662 /nfs/dbraw/zinc/44/76/62/689447662.db2.gz KSUOIQOIIVRERK-INMHGKMJSA-N 0 3 362.271 2.422 20 30 FEEDHN N#Cc1cc(F)c(N2CC[C@H]3[C@H]2CCCN3CCO)cc1Br ZINC000897218494 689989475 /nfs/dbraw/zinc/98/94/75/689989475.db2.gz DICAWGLXNVRFFC-LSDHHAIUSA-N 0 3 368.250 2.495 20 30 FEEDHN C#CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CSC1 ZINC000903126667 690848468 /nfs/dbraw/zinc/84/84/68/690848468.db2.gz UESADKDPQHSNHW-UHFFFAOYSA-N 0 3 358.511 2.411 20 30 FEEDHN C[C@@](O)(CN[C@@H]1CCCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F ZINC000905183739 691076734 /nfs/dbraw/zinc/07/67/34/691076734.db2.gz UXPBFSDLGDEITR-VXNVDRBHSA-N 0 3 372.256 2.078 20 30 FEEDHN COc1ccc(F)cc1CCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000905479130 691123696 /nfs/dbraw/zinc/12/36/96/691123696.db2.gz QOKTUBNEUDAOQI-UHFFFAOYSA-N 0 3 362.426 2.312 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2nc3c(s2)CCC3)c1 ZINC000905569285 691143566 /nfs/dbraw/zinc/14/35/66/691143566.db2.gz PUPOVCBUXPDUPV-UHFFFAOYSA-N 0 3 361.492 2.109 20 30 FEEDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907205760 691422372 /nfs/dbraw/zinc/42/23/72/691422372.db2.gz HDUJIIYRAAHUSX-HZMBPMFUSA-N 0 3 372.288 2.034 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000908436251 691678555 /nfs/dbraw/zinc/67/85/55/691678555.db2.gz FUNVIJVXANOYQB-CYBMUJFWSA-N 0 3 359.289 2.269 20 30 FEEDHN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2NCCO[C@@H]2C1 ZINC001164390804 718820872 /nfs/dbraw/zinc/82/08/72/718820872.db2.gz RGWPPWKFWWBZQR-GHMZBOCLSA-N 0 3 363.195 2.372 20 30 FEEDHN Cc1nc(C#N)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912099 721548408 /nfs/dbraw/zinc/54/84/08/721548408.db2.gz YRRJPMHAWFGNQU-SJLPKXTDSA-N 0 3 353.401 2.138 20 30 FEEDHN CNC(=O)c1ccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000029931533 539868960 /nfs/dbraw/zinc/86/89/60/539868960.db2.gz KNUZAFRVZPWLRR-UHFFFAOYSA-N 0 3 350.422 2.378 20 30 FEEDHN CNC(=O)c1ccc(CN(C)CCC(=O)Nc2ccccc2C#N)cc1 ZINC000029931395 539869120 /nfs/dbraw/zinc/86/91/20/539869120.db2.gz RUXFUSXYYIZBOL-UHFFFAOYSA-N 0 3 350.422 2.378 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2c(F)cc(F)cc2F)CC1 ZINC000076282896 542254305 /nfs/dbraw/zinc/25/43/05/542254305.db2.gz YWLXWCTZQXGCEO-UHFFFAOYSA-N 0 3 355.360 2.199 20 30 FEEDHN C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCCC[C@H]1C ZINC000046338275 540252795 /nfs/dbraw/zinc/25/27/95/540252795.db2.gz BFERFHSAGXVXBT-SJORKVTESA-N 0 3 370.501 2.048 20 30 FEEDHN C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCCC[C@@H]1C ZINC000046338276 540252949 /nfs/dbraw/zinc/25/29/49/540252949.db2.gz BFERFHSAGXVXBT-IRXDYDNUSA-N 0 3 370.501 2.048 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)COc2ccc(C#N)cc2)c1 ZINC000047673042 540323520 /nfs/dbraw/zinc/32/35/20/540323520.db2.gz PCRPCYOIWRENPJ-UHFFFAOYSA-N 0 3 353.422 2.194 20 30 FEEDHN C[C@H]1CN(C(=O)C2CCN(CCOc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000051764631 540443132 /nfs/dbraw/zinc/44/31/32/540443132.db2.gz PVDCTMXAOXOCOK-IRXDYDNUSA-N 0 3 371.481 2.285 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000052842965 540492668 /nfs/dbraw/zinc/49/26/68/540492668.db2.gz GYXUHYVLEMWSGU-CQSZACIVSA-N 0 3 358.486 2.177 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000052842965 540492670 /nfs/dbraw/zinc/49/26/70/540492670.db2.gz GYXUHYVLEMWSGU-CQSZACIVSA-N 0 3 358.486 2.177 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)CC(C)(C)C ZINC000056015969 540694414 /nfs/dbraw/zinc/69/44/14/540694414.db2.gz LRLCLTFFOPKPNH-UHFFFAOYSA-N 0 3 358.486 2.001 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076299103 542257852 /nfs/dbraw/zinc/25/78/52/542257852.db2.gz LWPHIQCFWIPVBH-ZDUSSCGKSA-N 0 3 368.359 2.116 20 30 FEEDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCOc1cccc(C#N)c1 ZINC000057843608 540818799 /nfs/dbraw/zinc/81/87/99/540818799.db2.gz FRWIBJTUJLVELN-AWEZNQCLSA-N 0 3 359.451 2.277 20 30 FEEDHN N#CC1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000057993736 540826498 /nfs/dbraw/zinc/82/64/98/540826498.db2.gz KWKCNFXGOZZBIN-UHFFFAOYSA-N 0 3 369.513 2.139 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000063821667 541187321 /nfs/dbraw/zinc/18/73/21/541187321.db2.gz MIFVDYYYVNZBIL-GOSISDBHSA-N 0 3 364.449 2.094 20 30 FEEDHN C[C@@H](OC[C@@H]1CCCO1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930315 541272449 /nfs/dbraw/zinc/27/24/49/541272449.db2.gz QXROYUIHPHGCTN-APWZRJJASA-N 0 3 359.470 2.033 20 30 FEEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000066473118 541323210 /nfs/dbraw/zinc/32/32/10/541323210.db2.gz HSSISJFZLHAEPW-QRQLOZEOSA-N 0 3 373.497 2.315 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000066568415 541337415 /nfs/dbraw/zinc/33/74/15/541337415.db2.gz VOCWLIWUZWSREE-UHFFFAOYSA-N 0 3 354.498 2.324 20 30 FEEDHN C[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)N1CCCC1 ZINC000066620547 541348065 /nfs/dbraw/zinc/34/80/65/541348065.db2.gz GVCHAUADIMEPJC-QGZVFWFLSA-N 0 3 356.470 2.314 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(Cl)c2N2CCOCC2)CC1 ZINC000067142183 541423208 /nfs/dbraw/zinc/42/32/08/541423208.db2.gz ORADPFLOXHALLZ-UHFFFAOYSA-N 0 3 361.873 2.460 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCNC(=O)N(C)Cc2ccccc2)CC1 ZINC000067305219 541442989 /nfs/dbraw/zinc/44/29/89/541442989.db2.gz DMSZWPKJYNYUQT-UHFFFAOYSA-N 0 3 372.513 2.375 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCN(CC3CCCCC3)CC2)cc1 ZINC000067648804 541494980 /nfs/dbraw/zinc/49/49/80/541494980.db2.gz DOSGVNCZNAOVFT-FQEVSTJZSA-N 0 3 357.498 2.496 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@@H]2C1 ZINC000542839630 541484312 /nfs/dbraw/zinc/48/43/12/541484312.db2.gz IQTSYVBHWZPNDX-CXAGYDPISA-N 0 3 368.416 2.441 20 30 FEEDHN C[C@H](OC[C@@H]1CCCO1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000068791406 541628876 /nfs/dbraw/zinc/62/88/76/541628876.db2.gz FKWWGEXKGVKJKT-LPHOPBHVSA-N 0 3 359.470 2.033 20 30 FEEDHN CCN(CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000069111079 541658125 /nfs/dbraw/zinc/65/81/25/541658125.db2.gz GQTNBJYNTHZHFU-INIZCTEOSA-N 0 3 373.476 2.450 20 30 FEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CSCc1ccc(C#N)cc1 ZINC000072051927 541780979 /nfs/dbraw/zinc/78/09/79/541780979.db2.gz IDEYFEHBLMBMDK-SFHVURJKSA-N 0 3 361.511 2.361 20 30 FEEDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CCCCCC1 ZINC000074674045 542111348 /nfs/dbraw/zinc/11/13/48/542111348.db2.gz OOLPLIYTRHWDEP-UYAOXDASSA-N 0 3 354.498 2.487 20 30 FEEDHN N#Cc1c(NC(=O)CCN2CCC(CC(N)=O)CC2)sc2c1CCCC2 ZINC000077168475 542349822 /nfs/dbraw/zinc/34/98/22/542349822.db2.gz MZSZTPIWLVGGEA-UHFFFAOYSA-N 0 3 374.510 2.415 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000078451656 542462249 /nfs/dbraw/zinc/46/22/49/542462249.db2.gz WIIIVDCEZCLQRL-PMACEKPBSA-N 0 3 354.498 2.343 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)NCc1cccc(CN(C)C)c1 ZINC000078588413 542469697 /nfs/dbraw/zinc/46/96/97/542469697.db2.gz PWECQELCJVABIT-UHFFFAOYSA-N 0 3 353.422 2.324 20 30 FEEDHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000080272479 542581591 /nfs/dbraw/zinc/58/15/91/542581591.db2.gz HFOOWGOKPAVQNY-UHFFFAOYSA-N 0 3 350.422 2.087 20 30 FEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(c2nc[nH]n2)CC1 ZINC000083446213 542697608 /nfs/dbraw/zinc/69/76/08/542697608.db2.gz JVSBXCACYHYXKA-XAUUPUKJSA-N 0 3 358.490 2.303 20 30 FEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085789047 542731472 /nfs/dbraw/zinc/73/14/72/542731472.db2.gz ICOXZBIUOYPQOI-MRXNPFEDSA-N 0 3 367.471 2.254 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2cnc(-c3ccco3)s2)c1C#N ZINC000089675559 542768440 /nfs/dbraw/zinc/76/84/40/542768440.db2.gz RYGYQRJWNBFTRN-UHFFFAOYSA-N 0 3 356.411 2.402 20 30 FEEDHN C[C@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)N(C)C1CC1 ZINC000092235949 542850735 /nfs/dbraw/zinc/85/07/35/542850735.db2.gz DYZQENBUFRKYDP-MXWWQKGMSA-N 0 3 371.485 2.425 20 30 FEEDHN CCN(CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000102068854 543059314 /nfs/dbraw/zinc/05/93/14/543059314.db2.gz JMRDZQNVBXVNAN-UHFFFAOYSA-N 0 3 369.513 2.260 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(N2CCCC2=O)CC1 ZINC000104968009 543152776 /nfs/dbraw/zinc/15/27/76/543152776.db2.gz RHDKOMITUMKUCJ-IBGZPJMESA-N 0 3 358.482 2.242 20 30 FEEDHN COCCN(CCN(C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000105036540 543155717 /nfs/dbraw/zinc/15/57/17/543155717.db2.gz KVESBBBLPDUOQS-UHFFFAOYSA-N 0 3 356.373 2.202 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(CCC#N)CCC(C)C)CC1=O ZINC000105329477 543171485 /nfs/dbraw/zinc/17/14/85/543171485.db2.gz OPBXGWWVUVEEHK-QZTJIDSGSA-N 0 3 362.518 2.108 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000106037732 543186102 /nfs/dbraw/zinc/18/61/02/543186102.db2.gz KXEVYFLCEXXQCC-IAGOWNOFSA-N 0 3 372.513 2.466 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CSCN2C(=O)CCCC)CC1 ZINC000106034676 543186125 /nfs/dbraw/zinc/18/61/25/543186125.db2.gz JWEBBSVQYCRDKC-MRXNPFEDSA-N 0 3 353.532 2.235 20 30 FEEDHN CC(C)(C)[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)C(N)=O ZINC000106444727 543230263 /nfs/dbraw/zinc/23/02/63/543230263.db2.gz LSNVVMMINNAXNI-HNNXBMFYSA-N 0 3 362.499 2.317 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000106774833 543246116 /nfs/dbraw/zinc/24/61/16/543246116.db2.gz REGLWVCBMSGKMB-UHFFFAOYSA-N 0 3 361.461 2.433 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccnc(N3CCCCCC3)c2)CC1 ZINC000107178263 543262846 /nfs/dbraw/zinc/26/28/46/543262846.db2.gz VPAIVRNLMQWPEV-UHFFFAOYSA-N 0 3 354.498 2.423 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107524564 543271988 /nfs/dbraw/zinc/27/19/88/543271988.db2.gz HYMJYAPPUPIQAW-QGZVFWFLSA-N 0 3 370.497 2.273 20 30 FEEDHN N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000108613191 543297707 /nfs/dbraw/zinc/29/77/07/543297707.db2.gz HWHCGJJVUSGGAX-HNNXBMFYSA-N 0 3 372.494 2.328 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000110520834 543360732 /nfs/dbraw/zinc/36/07/32/543360732.db2.gz NQJWWYXSMQSJGT-KRWDZBQOSA-N 0 3 357.454 2.423 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000111813833 543416856 /nfs/dbraw/zinc/41/68/56/543416856.db2.gz TUAUDRFOKFZWJP-UHFFFAOYSA-N 0 3 360.502 2.077 20 30 FEEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000112101994 543430444 /nfs/dbraw/zinc/43/04/44/543430444.db2.gz PAKAHSMUIHWJIV-OAHLLOKOSA-N 0 3 354.376 2.289 20 30 FEEDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112549562 543451561 /nfs/dbraw/zinc/45/15/61/543451561.db2.gz DQZMBXWTCNJGEX-YGRLFVJLSA-N 0 3 358.833 2.043 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(C)C ZINC000112919769 543468278 /nfs/dbraw/zinc/46/82/78/543468278.db2.gz YCHZJZGGGBJZAX-SFHVURJKSA-N 0 3 369.465 2.341 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000113406855 543487176 /nfs/dbraw/zinc/48/71/76/543487176.db2.gz NHMUDODEJHZWTD-SFHVURJKSA-N 0 3 370.501 2.049 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)CC1 ZINC000114960518 543547945 /nfs/dbraw/zinc/54/79/45/543547945.db2.gz JSHSJPSQDDXONS-LJQANCHMSA-N 0 3 370.497 2.300 20 30 FEEDHN N#Cc1ccc([C@@H](NCC2(N3CCSCC3)CCCCC2)C(N)=O)cc1 ZINC000115600170 543577601 /nfs/dbraw/zinc/57/76/01/543577601.db2.gz KGKLWNQAKFAHCX-GOSISDBHSA-N 0 3 372.538 2.426 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000118898982 543661417 /nfs/dbraw/zinc/66/14/17/543661417.db2.gz YXSRGFOMCATKJQ-CABCVRRESA-N 0 3 374.510 2.477 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2nncn2C)CC1)C(C)C ZINC000119706086 543670432 /nfs/dbraw/zinc/67/04/32/543670432.db2.gz ZQOXLVAVFLKSFS-SFHVURJKSA-N 0 3 374.533 2.403 20 30 FEEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1OC ZINC000124483329 543824966 /nfs/dbraw/zinc/82/49/66/543824966.db2.gz SRQRAGCDBQKBCA-SFHVURJKSA-N 0 3 374.481 2.331 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)CCC[C@@H]3C)CC2)o1 ZINC000125439743 543881819 /nfs/dbraw/zinc/88/18/19/543881819.db2.gz TVBUDMAUFQQEBP-CABCVRRESA-N 0 3 359.474 2.014 20 30 FEEDHN C=CCCOCCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000127231415 543979835 /nfs/dbraw/zinc/97/98/35/543979835.db2.gz BICPRBPVYWGXEB-IRXDYDNUSA-N 0 3 353.507 2.110 20 30 FEEDHN C=CCC[C@@H](CC)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127804269 544014551 /nfs/dbraw/zinc/01/45/51/544014551.db2.gz YGYZJIBYUKAXSK-GOSISDBHSA-N 0 3 365.543 2.457 20 30 FEEDHN CN1CCN(CCCCNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000131794511 544207246 /nfs/dbraw/zinc/20/72/46/544207246.db2.gz RIIMVCMSQSLUNW-LJQANCHMSA-N 0 3 357.502 2.358 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2cnc(-c3ccccn3)s2)c1C#N ZINC000133794008 544283592 /nfs/dbraw/zinc/28/35/92/544283592.db2.gz OWSIIDHERMRHHX-UHFFFAOYSA-N 0 3 367.438 2.204 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000134895024 544325823 /nfs/dbraw/zinc/32/58/23/544325823.db2.gz XLIZXLZUVVJZCA-YLJYHZDGSA-N 0 3 373.522 2.281 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(-n2cccn2)c1 ZINC000150716674 544463961 /nfs/dbraw/zinc/46/39/61/544463961.db2.gz PFTJLFIADNTMPV-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000188375466 328083352 /nfs/dbraw/zinc/08/33/52/328083352.db2.gz HJQLVVOVCWSUCJ-OAHLLOKOSA-N 0 3 368.481 2.055 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)CN3CCC[C@H](C)C3)CC2)o1 ZINC000189219763 328135454 /nfs/dbraw/zinc/13/54/54/328135454.db2.gz PHMBWMQRTNROTR-LSDHHAIUSA-N 0 3 373.501 2.308 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c1C#N ZINC000189385302 328144613 /nfs/dbraw/zinc/14/46/13/328144613.db2.gz WJAUSOVZQYEWCB-INIZCTEOSA-N 0 3 354.454 2.282 20 30 FEEDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190614860 328219726 /nfs/dbraw/zinc/21/97/26/328219726.db2.gz ZLPFPSMUSDRPBF-WMLDXEAASA-N 0 3 357.454 2.369 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCC[C@@H](C)C1 ZINC000192565160 328326285 /nfs/dbraw/zinc/32/62/85/328326285.db2.gz OYZSPWYFGXYROF-CABCVRRESA-N 0 3 373.501 2.290 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCN1CCCCCC1 ZINC000192566390 328326295 /nfs/dbraw/zinc/32/62/95/328326295.db2.gz GMOAJGDZEPXOEG-UHFFFAOYSA-N 0 3 359.474 2.045 20 30 FEEDHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077539503 324995077 /nfs/dbraw/zinc/99/50/77/324995077.db2.gz KEXKIBAMHVBIRZ-UHFFFAOYSA-N 0 3 362.449 2.462 20 30 FEEDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112549559 325789495 /nfs/dbraw/zinc/78/94/95/325789495.db2.gz DQZMBXWTCNJGEX-HZMBPMFUSA-N 0 3 358.833 2.043 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000119410297 326158943 /nfs/dbraw/zinc/15/89/43/326158943.db2.gz FEECUTYPPJRFDG-LMMKCTJWSA-N 0 3 362.495 2.284 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000121463714 326340631 /nfs/dbraw/zinc/34/06/31/326340631.db2.gz NTHHIKFOKZNVHQ-QGZVFWFLSA-N 0 3 370.432 2.063 20 30 FEEDHN N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c(F)c1 ZINC000125707256 326476511 /nfs/dbraw/zinc/47/65/11/326476511.db2.gz CQYSWBPIJUFFBM-CYBMUJFWSA-N 0 3 369.437 2.333 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O ZINC000171541442 327144983 /nfs/dbraw/zinc/14/49/83/327144983.db2.gz ODZQYNWAKVILQX-IAGOWNOFSA-N 0 3 354.454 2.138 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](OCCO)C2)cc1Cl ZINC000172295728 327193650 /nfs/dbraw/zinc/19/36/50/327193650.db2.gz GBBLMAMZKILVCW-HNNXBMFYSA-N 0 3 351.834 2.014 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C(CC)CC)N(C)C ZINC000172305466 327194623 /nfs/dbraw/zinc/19/46/23/327194623.db2.gz KWNRGXCSFDTMQB-KRWDZBQOSA-N 0 3 374.485 2.378 20 30 FEEDHN CN1CCN([C@@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 ZINC000173281160 327246644 /nfs/dbraw/zinc/24/66/44/327246644.db2.gz LOXXEMAZDLPYJW-HXUWFJFHSA-N 0 3 354.498 2.119 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000174789098 327351075 /nfs/dbraw/zinc/35/10/75/327351075.db2.gz XBMMVZVTFVNCRE-OFQRWUPVSA-N 0 3 356.470 2.288 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000177610952 327533291 /nfs/dbraw/zinc/53/32/91/327533291.db2.gz GHCNYCLKQHDDCH-NQIIRXRSSA-N 0 3 374.481 2.348 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNc2nc3ccccn3c2C#N)c1 ZINC000272875974 329819883 /nfs/dbraw/zinc/81/98/83/329819883.db2.gz FMKLMYKATQQDEE-UHFFFAOYSA-N 0 3 362.437 2.109 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnn1CC(F)F ZINC000279086936 330174357 /nfs/dbraw/zinc/17/43/57/330174357.db2.gz VRDDPPIPOJYSNM-UHFFFAOYSA-N 0 3 361.396 2.224 20 30 FEEDHN COc1cc(CNCCC(=O)N2CCOc3ccccc3C2)ccc1C#N ZINC000367098403 330216773 /nfs/dbraw/zinc/21/67/73/330216773.db2.gz GKAMQVVOZDDGCF-UHFFFAOYSA-N 0 3 365.433 2.468 20 30 FEEDHN COc1c(Br)cc(Br)cc1C=NNC(=N)N ZINC000252447798 521776912 /nfs/dbraw/zinc/77/69/12/521776912.db2.gz PBHRYVPESUELQO-UHFFFAOYSA-N 0 3 350.014 2.037 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000159231101 545934708 /nfs/dbraw/zinc/93/47/08/545934708.db2.gz ZLTDHXZVVXCRPR-UHFFFAOYSA-N 0 3 360.433 2.126 20 30 FEEDHN C[C@@H](c1ccncc1)N1CCC(N[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000159929318 545993190 /nfs/dbraw/zinc/99/31/90/545993190.db2.gz DSIIMNAHNOQZPK-MGPUTAFESA-N 0 3 363.465 2.295 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)NC2CCN(C3CC3)CC2)cc1C#N ZINC000160117718 546009078 /nfs/dbraw/zinc/00/90/78/546009078.db2.gz LQUHLHPNBSHMAO-UHFFFAOYSA-N 0 3 370.453 2.027 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCN(c3nccs3)CC2)CC1 ZINC000171560296 546213778 /nfs/dbraw/zinc/21/37/78/546213778.db2.gz JQWWEUWZWMRJQI-UHFFFAOYSA-N 0 3 363.531 2.405 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000171738665 546223593 /nfs/dbraw/zinc/22/35/93/546223593.db2.gz GNBWGEDOWKCSKU-UHFFFAOYSA-N 0 3 372.513 2.173 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000173160679 546275169 /nfs/dbraw/zinc/27/51/69/546275169.db2.gz YUWMJRWTVMAIQA-UHFFFAOYSA-N 0 3 356.514 2.209 20 30 FEEDHN C=CCOc1ccc(CNCCN2C(=O)NC3(CCCC3)C2=O)cc1OC ZINC000479611999 561193303 /nfs/dbraw/zinc/19/33/03/561193303.db2.gz HVZMTFOXVAPPNL-UHFFFAOYSA-N 0 3 373.453 2.214 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000175376871 546309500 /nfs/dbraw/zinc/30/95/00/546309500.db2.gz BVEAZXNNRYBHRO-INIZCTEOSA-N 0 3 359.449 2.013 20 30 FEEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000175769124 546346406 /nfs/dbraw/zinc/34/64/06/546346406.db2.gz QPNNUZUAJFIKRR-KRWDZBQOSA-N 0 3 362.493 2.407 20 30 FEEDHN CN(C(=O)c1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1)[C@H]1CCCN(C)C1 ZINC000175834119 546358634 /nfs/dbraw/zinc/35/86/34/546358634.db2.gz PLXQXGAMOUEABA-KRWDZBQOSA-N 0 3 365.437 2.305 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(OCCCOC)CC2)CC1 ZINC000176500951 546454527 /nfs/dbraw/zinc/45/45/27/546454527.db2.gz CXXDYXMTMOCCBZ-UHFFFAOYSA-N 0 3 353.507 2.254 20 30 FEEDHN CCC(CC)CN(CCC#N)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481745340 561240600 /nfs/dbraw/zinc/24/06/00/561240600.db2.gz CUERCGNTGIQDLN-AWEZNQCLSA-N 0 3 358.504 2.147 20 30 FEEDHN CCC[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCN1CCOC ZINC000179668826 546995102 /nfs/dbraw/zinc/99/51/02/546995102.db2.gz NIQJDGJGOLCDGM-LJQANCHMSA-N 0 3 358.486 2.320 20 30 FEEDHN C=CCC[C@H](NCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000180047464 547043011 /nfs/dbraw/zinc/04/30/11/547043011.db2.gz WYNIVMIAHHNMDD-MSOLQXFVSA-N 0 3 364.511 2.319 20 30 FEEDHN N#Cc1ccc(OC2CCC(NC(=O)NCCN3CCCCC3)CC2)nc1 ZINC000180076582 547047497 /nfs/dbraw/zinc/04/74/97/547047497.db2.gz MUARNTKAQSFHFX-UHFFFAOYSA-N 0 3 371.485 2.428 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1C#N ZINC000180894265 547204324 /nfs/dbraw/zinc/20/43/24/547204324.db2.gz MCAMVFDIFBHVQQ-MRXNPFEDSA-N 0 3 364.449 2.442 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3ccc(C)cc3)CC2)o1 ZINC000182351335 547477747 /nfs/dbraw/zinc/47/77/47/547477747.db2.gz KKLBSVDLYVVPSV-OAHLLOKOSA-N 0 3 367.453 2.163 20 30 FEEDHN N#CC(C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1nnc2n1CCCCC2 ZINC000183514152 547673761 /nfs/dbraw/zinc/67/37/61/547673761.db2.gz RYAACLJTDQODOY-HUUCEWRRSA-N 0 3 367.409 2.057 20 30 FEEDHN CCO[C@H]1COCC[C@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000484615173 561301170 /nfs/dbraw/zinc/30/11/70/561301170.db2.gz LIGCFRSNKDWADL-SJORKVTESA-N 0 3 365.861 2.370 20 30 FEEDHN C=CC[C@H](CO)NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000184278244 547799565 /nfs/dbraw/zinc/79/95/65/547799565.db2.gz CIERHCLQIOWIKY-MRXNPFEDSA-N 0 3 354.878 2.078 20 30 FEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000186717860 548179647 /nfs/dbraw/zinc/17/96/47/548179647.db2.gz QEQMFPYCXKAJCO-GDBMZVCRSA-N 0 3 364.467 2.346 20 30 FEEDHN CC1CCN(CCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000193052759 548378989 /nfs/dbraw/zinc/37/89/89/548378989.db2.gz DDDASAUVIYSKCH-UHFFFAOYSA-N 0 3 356.470 2.274 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000193615764 548391713 /nfs/dbraw/zinc/39/17/13/548391713.db2.gz MRUMISCAHKDGCH-IBGZPJMESA-N 0 3 351.491 2.258 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)CC1 ZINC000194608449 548504774 /nfs/dbraw/zinc/50/47/74/548504774.db2.gz KFCVCGSJGAQWHO-HOTGVXAUSA-N 0 3 358.486 2.075 20 30 FEEDHN C[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000486623507 561352751 /nfs/dbraw/zinc/35/27/51/561352751.db2.gz LXCOOYZCOOGIIE-IERDGZPVSA-N 0 3 363.461 2.197 20 30 FEEDHN C[C@@H]1CN(CCN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000195309320 548619110 /nfs/dbraw/zinc/61/91/10/548619110.db2.gz UPEQSLVXWCSFKH-CALCHBBNSA-N 0 3 367.497 2.500 20 30 FEEDHN COCCCN(C)CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487998311 561380797 /nfs/dbraw/zinc/38/07/97/561380797.db2.gz YFCMLNZLKRDNKE-UHFFFAOYSA-N 0 3 369.263 2.411 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](c3ccccc3)C2)CC1 ZINC000245560667 548947022 /nfs/dbraw/zinc/94/70/22/548947022.db2.gz MWUQDBPQAXSSFI-WOJBJXKFSA-N 0 3 354.498 2.168 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000248549311 549456591 /nfs/dbraw/zinc/45/65/91/549456591.db2.gz FVSLFYUEEPWBPI-NSHGMRRFSA-N 0 3 356.514 2.461 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCC[C@@H](C)C1 ZINC000248681360 549482762 /nfs/dbraw/zinc/48/27/62/549482762.db2.gz OYZSPWYFGXYROF-HUUCEWRRSA-N 0 3 373.501 2.290 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)N3CCC[C@@H](C)C3)CC2)o1 ZINC000248895391 549523689 /nfs/dbraw/zinc/52/36/89/549523689.db2.gz JOEASFQFWUNKHS-HUUCEWRRSA-N 0 3 373.501 2.308 20 30 FEEDHN N=C(NCC(=O)N1CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000263188321 549884576 /nfs/dbraw/zinc/88/45/76/549884576.db2.gz XOTMJWFXJHNAHE-UHFFFAOYSA-N 0 3 354.410 2.064 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccnc2-n2ccnc2C)CC1 ZINC000264319456 549993984 /nfs/dbraw/zinc/99/39/84/549993984.db2.gz AJIZTWSJOKZSHE-UHFFFAOYSA-N 0 3 368.485 2.415 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccnc2OCC(F)(F)F)CC1 ZINC000264348021 549994524 /nfs/dbraw/zinc/99/45/24/549994524.db2.gz ASRFQIWPJMGIPF-UHFFFAOYSA-N 0 3 372.391 2.472 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1 ZINC000264446233 549996045 /nfs/dbraw/zinc/99/60/45/549996045.db2.gz BOXTXGRAHXZNKG-UHFFFAOYSA-N 0 3 373.478 2.262 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)NCCCCN1CCN(CC)CC1 ZINC000264711071 550000433 /nfs/dbraw/zinc/00/04/33/550000433.db2.gz JDXMVBKZAGXXAH-UHFFFAOYSA-N 0 3 374.529 2.468 20 30 FEEDHN CCCCOc1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000264939897 550004301 /nfs/dbraw/zinc/00/43/01/550004301.db2.gz FVDODLJELVYUIX-VXPUYCOJSA-N 0 3 373.453 2.490 20 30 FEEDHN C=CCN1CCC(Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 ZINC000266192601 550018587 /nfs/dbraw/zinc/01/85/87/550018587.db2.gz BZASUBFTOXWAET-UHFFFAOYSA-N 0 3 364.515 2.319 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(Cc2ccccn2)nn1)C(C)C ZINC000266268140 550019028 /nfs/dbraw/zinc/01/90/28/550019028.db2.gz AIKUMIKYJANTLK-IBGZPJMESA-N 0 3 368.485 2.150 20 30 FEEDHN CN(C)C[C@@H]1CCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000268130198 550036971 /nfs/dbraw/zinc/03/69/71/550036971.db2.gz MFMGZAAKPHDVTA-SFHVURJKSA-N 0 3 356.470 2.266 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccc(Cl)cn2)CC1 ZINC000268640714 550098035 /nfs/dbraw/zinc/09/80/35/550098035.db2.gz MMMIFEIJENZKLI-UHFFFAOYSA-N 0 3 352.866 2.454 20 30 FEEDHN COc1ccc([C@@H](C#N)N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)cc1 ZINC000492817533 561452904 /nfs/dbraw/zinc/45/29/04/561452904.db2.gz KVHSRHYMFPQSKW-WOJBJXKFSA-N 0 3 368.481 2.031 20 30 FEEDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000493709319 561457742 /nfs/dbraw/zinc/45/77/42/561457742.db2.gz QTLHCEBZIFDIRP-FUHWJXTLSA-N 0 3 368.399 2.314 20 30 FEEDHN CC(C)N1CCN(C2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000270826085 550311229 /nfs/dbraw/zinc/31/12/29/550311229.db2.gz BXTLUSSUIBJQLB-UHFFFAOYSA-N 0 3 354.498 2.383 20 30 FEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)OCCCO2 ZINC000271415228 550373468 /nfs/dbraw/zinc/37/34/68/550373468.db2.gz ARJLMGPONIZKCV-UNQMGURYSA-N 0 3 357.410 2.025 20 30 FEEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272405824 550444817 /nfs/dbraw/zinc/44/48/17/550444817.db2.gz KPQURQZRTKWBML-RDJZCZTQSA-N 0 3 370.478 2.142 20 30 FEEDHN N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000275697135 550573772 /nfs/dbraw/zinc/57/37/72/550573772.db2.gz KAUYSKAKZGEGEH-QGZVFWFLSA-N 0 3 370.453 2.004 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(SC)cc2OC)CC1 ZINC000278076311 550746264 /nfs/dbraw/zinc/74/62/64/550746264.db2.gz NJDGTRXVABTNGV-UHFFFAOYSA-N 0 3 363.483 2.122 20 30 FEEDHN C=CCc1cc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc(OC)c1O ZINC000278562879 550799393 /nfs/dbraw/zinc/79/93/93/550799393.db2.gz BDEOGTBFYPQELF-ROUUACIJSA-N 0 3 357.454 2.071 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](COC)[C@@H]1CCCO1 ZINC000278742060 550816927 /nfs/dbraw/zinc/81/69/27/550816927.db2.gz ADJMGIWZCGZTOV-UAGQMJEPSA-N 0 3 352.500 2.435 20 30 FEEDHN COC(=O)C[C@H]1CCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279364489 550881904 /nfs/dbraw/zinc/88/19/04/550881904.db2.gz HWYQRWVFRJPHOL-QGZVFWFLSA-N 0 3 353.426 2.386 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCN(c3nccs3)CC2)cc1 ZINC000279413754 550887410 /nfs/dbraw/zinc/88/74/10/550887410.db2.gz CCKJOHJMWJEQKF-QGZVFWFLSA-N 0 3 365.462 2.436 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3ccccc3O)CC2)cc1 ZINC000279867650 550937408 /nfs/dbraw/zinc/93/74/08/550937408.db2.gz HKRAQJDDTNRCRK-GOSISDBHSA-N 0 3 360.417 2.295 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]4CN(C)CC[C@@H]43)CC2)o1 ZINC000280056637 550956753 /nfs/dbraw/zinc/95/67/53/550956753.db2.gz WOBAZNDWTZYXNB-AEFFLSMTSA-N 0 3 371.485 2.014 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]4CN(C)CC[C@@H]43)CC2)o1 ZINC000280056641 550956779 /nfs/dbraw/zinc/95/67/79/550956779.db2.gz WOBAZNDWTZYXNB-WMZOPIPTSA-N 0 3 371.485 2.014 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]4CN(C)CC[C@H]43)CC2)o1 ZINC000280056638 550956816 /nfs/dbraw/zinc/95/68/16/550956816.db2.gz WOBAZNDWTZYXNB-FUHWJXTLSA-N 0 3 371.485 2.014 20 30 FEEDHN CN(C(=O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000280565430 551008088 /nfs/dbraw/zinc/00/80/88/551008088.db2.gz VFRRBLUOYYVHIX-QGZVFWFLSA-N 0 3 352.438 2.148 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000280743063 551027445 /nfs/dbraw/zinc/02/74/45/551027445.db2.gz LMDRPPDPSHXEQL-UHFFFAOYSA-N 0 3 354.366 2.182 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000281232036 551076340 /nfs/dbraw/zinc/07/63/40/551076340.db2.gz HVTBRDJAMACWNR-QGZVFWFLSA-N 0 3 353.422 2.346 20 30 FEEDHN CNC(=O)[C@]1(C)CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000281260600 551078853 /nfs/dbraw/zinc/07/88/53/551078853.db2.gz VKTBFAGKKRDTCJ-LAUBAEHRSA-N 0 3 370.497 2.397 20 30 FEEDHN Cc1ccccc1CN1CCC(NS(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000282408996 551224388 /nfs/dbraw/zinc/22/43/88/551224388.db2.gz ATQZTBMLGFZFCJ-INIZCTEOSA-N 0 3 364.515 2.028 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c(F)c1 ZINC000283069518 551306672 /nfs/dbraw/zinc/30/66/72/551306672.db2.gz XIJOLTXWPURYRQ-OLZOCXBDSA-N 0 3 363.408 2.121 20 30 FEEDHN C[C@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000283124816 551315626 /nfs/dbraw/zinc/31/56/26/551315626.db2.gz ZGENXXJWCZAPJB-CABCVRRESA-N 0 3 352.504 2.184 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H]2CC(c3ccc(C)c(C)c3)=NO2)CC1 ZINC000283597937 551394163 /nfs/dbraw/zinc/39/41/63/551394163.db2.gz QDLVCVOBAJGYKR-LJQANCHMSA-N 0 3 353.466 2.258 20 30 FEEDHN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC2CC2)CC1 ZINC000283724621 551416770 /nfs/dbraw/zinc/41/67/70/551416770.db2.gz XYBAXMKLQKLOTE-UHFFFAOYSA-N 0 3 369.517 2.248 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCC2(c3ccccc3)CCC2)CC1 ZINC000284029405 551471093 /nfs/dbraw/zinc/47/10/93/551471093.db2.gz OESQLBWJDTXFCJ-UHFFFAOYSA-N 0 3 369.509 2.381 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccncc1)C(C)C ZINC000284111741 551485723 /nfs/dbraw/zinc/48/57/23/551485723.db2.gz QGTRWTCTVQATBT-MJGOQNOKSA-N 0 3 372.513 2.416 20 30 FEEDHN C[C@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1)c1ccc(C#N)cc1 ZINC000284143886 551491886 /nfs/dbraw/zinc/49/18/86/551491886.db2.gz WTAUTPAXLNZGCG-LPHOPBHVSA-N 0 3 368.481 2.212 20 30 FEEDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N ZINC000284288643 551516052 /nfs/dbraw/zinc/51/60/52/551516052.db2.gz NTUSEFOYVFMSCK-JCURWCKSSA-N 0 3 350.413 2.060 20 30 FEEDHN Cc1onc(CC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1C#N ZINC000498514342 561526549 /nfs/dbraw/zinc/52/65/49/561526549.db2.gz OEVLSOVLTJAYSH-AWEZNQCLSA-N 0 3 358.467 2.487 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCC1(C)C ZINC000498525642 561526874 /nfs/dbraw/zinc/52/68/74/561526874.db2.gz LDAKOQNLIBZERQ-GOSISDBHSA-N 0 3 370.497 2.143 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H](C)c1ccccn1)C(C)C ZINC000284786193 551632745 /nfs/dbraw/zinc/63/27/45/551632745.db2.gz KCBZAGSKIISALV-SJLPKXTDSA-N 0 3 358.486 2.074 20 30 FEEDHN N#Cc1cc2c(nc1NCCCN1CCN(c3ccncc3)CC1)CCC2 ZINC000498691005 561532067 /nfs/dbraw/zinc/53/20/67/561532067.db2.gz SRZILNFRGDCVIH-UHFFFAOYSA-N 0 3 362.481 2.461 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]2C1 ZINC000285734628 551802970 /nfs/dbraw/zinc/80/29/70/551802970.db2.gz GRMBDRRHMPWPJR-OXJNMPFZSA-N 0 3 370.472 2.466 20 30 FEEDHN CN(C)CCOc1cc(C(=O)NC2(c3cccc(C#N)c3)CC2)ccn1 ZINC000285870829 551821606 /nfs/dbraw/zinc/82/16/06/551821606.db2.gz BMYDFCXZBYDPTK-UHFFFAOYSA-N 0 3 350.422 2.313 20 30 FEEDHN C[C@](C#N)(NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)C1CC1 ZINC000286189085 551859085 /nfs/dbraw/zinc/85/90/85/551859085.db2.gz XLCAFJCSVRAORF-XODKDNOYSA-N 0 3 353.466 2.299 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(Cl)c(C)c2)CC1 ZINC000286336222 551875731 /nfs/dbraw/zinc/87/57/31/551875731.db2.gz AULLLQPWQMEPTF-UHFFFAOYSA-N 0 3 363.889 2.421 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(CC)Cc2c(F)cccc2F)CC1 ZINC000286451425 551887024 /nfs/dbraw/zinc/88/70/24/551887024.db2.gz HOVIVQCVMCSMFY-UHFFFAOYSA-N 0 3 365.424 2.080 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000286461053 551888200 /nfs/dbraw/zinc/88/82/00/551888200.db2.gz IBWWWNDQUKQIIY-QGZVFWFLSA-N 0 3 359.470 2.490 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccc(OC)c2)CC1 ZINC000286505290 551894014 /nfs/dbraw/zinc/89/40/14/551894014.db2.gz KNLWIBSBUUMHME-IBGZPJMESA-N 0 3 371.481 2.125 20 30 FEEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C(=O)NCCCCC#N ZINC000286685650 551914716 /nfs/dbraw/zinc/91/47/16/551914716.db2.gz IZBWEUITDLODCB-IBGZPJMESA-N 0 3 370.497 2.167 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000286836258 551931746 /nfs/dbraw/zinc/93/17/46/551931746.db2.gz XVXBESZHYHWTDG-AZUAARDMSA-N 0 3 369.509 2.281 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCCO2)cc1 ZINC000287117232 551965749 /nfs/dbraw/zinc/96/57/49/551965749.db2.gz KLSPWXIBAMJBJR-UKRRQHHQSA-N 0 3 365.455 2.405 20 30 FEEDHN C[C@@H](CN(C)C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000287305051 551987420 /nfs/dbraw/zinc/98/74/20/551987420.db2.gz VXFVAQQNFJJUBA-ZDUSSCGKSA-N 0 3 371.441 2.089 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc2c1ncn2C ZINC000287978956 552070512 /nfs/dbraw/zinc/07/05/12/552070512.db2.gz JOVWHQUBIXSQFB-UHFFFAOYSA-N 0 3 362.437 2.044 20 30 FEEDHN C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CCN(C)CC1 ZINC000287994827 552072587 /nfs/dbraw/zinc/07/25/87/552072587.db2.gz VJJPXARAEPIUAV-RHSMWYFYSA-N 0 3 356.445 2.290 20 30 FEEDHN C=CCN1CC[C@@H](N[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)C1=O ZINC000499601824 561554330 /nfs/dbraw/zinc/55/43/30/561554330.db2.gz FSCOHBUYDIVTFH-QFBILLFUSA-N 0 3 374.504 2.405 20 30 FEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288187127 552106640 /nfs/dbraw/zinc/10/66/40/552106640.db2.gz BFTPKKAHFRAIAP-IRXDYDNUSA-N 0 3 358.461 2.324 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1 ZINC000288346647 552137972 /nfs/dbraw/zinc/13/79/72/552137972.db2.gz YYONTQYEPMXCFV-YJBOKZPZSA-N 0 3 357.454 2.275 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000289629926 552352472 /nfs/dbraw/zinc/35/24/72/552352472.db2.gz ZPRUDNQACSOQOD-BEFAXECRSA-N 0 3 370.478 2.142 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccccc3N3CCOCC3)C2)nc1 ZINC000292702902 552750970 /nfs/dbraw/zinc/75/09/70/552750970.db2.gz COEFDRTVPBZICJ-LJQANCHMSA-N 0 3 364.449 2.443 20 30 FEEDHN C[C@](C#N)(NC(=O)CNC1(Cc2ccc(F)cc2)CCOCC1)C1CC1 ZINC000292739412 552754007 /nfs/dbraw/zinc/75/40/07/552754007.db2.gz AIFBTVGUNSMCOW-LJQANCHMSA-N 0 3 359.445 2.315 20 30 FEEDHN C=CCC(F)(F)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000293297113 552808550 /nfs/dbraw/zinc/80/85/50/552808550.db2.gz YJXHPWBKTXDSMU-UHFFFAOYSA-N 0 3 367.440 2.487 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cnc(C)s1)C(C)C ZINC000501669666 561603192 /nfs/dbraw/zinc/60/31/92/561603192.db2.gz ZWICVCOCOPOLDQ-AWEZNQCLSA-N 0 3 350.488 2.205 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000293774762 552855342 /nfs/dbraw/zinc/85/53/42/552855342.db2.gz BJZAQKIOOZSMAI-UHFFFAOYSA-N 0 3 364.449 2.453 20 30 FEEDHN CN(C)Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000293806931 552858157 /nfs/dbraw/zinc/85/81/57/552858157.db2.gz TZDQUZOTEVBQCR-GOSISDBHSA-N 0 3 350.422 2.308 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000294442324 552906612 /nfs/dbraw/zinc/90/66/12/552906612.db2.gz PNDAKDMKHNPOLV-UHFFFAOYSA-N 0 3 365.474 2.477 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)Nc1ncc(Br)cc1C#N ZINC000295052226 552954496 /nfs/dbraw/zinc/95/44/96/552954496.db2.gz OSGXSAISOTZXHR-LBPRGKRZSA-N 0 3 352.280 2.154 20 30 FEEDHN CCO[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C12CCCC2 ZINC000295158802 552964792 /nfs/dbraw/zinc/96/47/92/552964792.db2.gz GJGUQQNRVNXESX-HZPDHXFCSA-N 0 3 363.483 2.054 20 30 FEEDHN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000295830152 553064734 /nfs/dbraw/zinc/06/47/34/553064734.db2.gz AWYJGVOZGCLWFQ-INIZCTEOSA-N 0 3 360.506 2.011 20 30 FEEDHN N#CCc1ccc(OC[C@H](O)CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000296169123 553115779 /nfs/dbraw/zinc/11/57/79/553115779.db2.gz NLBXZNMQKCTNAM-QUCCMNQESA-N 0 3 356.466 2.383 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000296264049 553131507 /nfs/dbraw/zinc/13/15/07/553131507.db2.gz CCTCFOVIAMUMEE-CQSZACIVSA-N 0 3 373.432 2.499 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000296841940 553219086 /nfs/dbraw/zinc/21/90/86/553219086.db2.gz JHPZQOJJPUMZHS-QGZVFWFLSA-N 0 3 357.502 2.064 20 30 FEEDHN C=CCN1CCC(NC(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)CC1 ZINC000297688289 553325186 /nfs/dbraw/zinc/32/51/86/553325186.db2.gz OTQCAWJYMOPJHN-UHFFFAOYSA-N 0 3 356.470 2.110 20 30 FEEDHN CC(C#N)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000503283529 561638865 /nfs/dbraw/zinc/63/88/65/561638865.db2.gz MZNKIVLLPHASFL-WFASDCNBSA-N 0 3 361.243 2.318 20 30 FEEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)C(C)(C)C(N)=O)sc2C1 ZINC000298459148 553427328 /nfs/dbraw/zinc/42/73/28/553427328.db2.gz RNMHFWWHLGSISY-NSHDSACASA-N 0 3 362.499 2.269 20 30 FEEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)C(C)(C)C(N)=O)sc2C1 ZINC000298459137 553427353 /nfs/dbraw/zinc/42/73/53/553427353.db2.gz RNMHFWWHLGSISY-LLVKDONJSA-N 0 3 362.499 2.269 20 30 FEEDHN Cc1cc(NC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)ncc1C#N ZINC000603117989 553711884 /nfs/dbraw/zinc/71/18/84/553711884.db2.gz FIYHTJFMQQWRGS-UHFFFAOYSA-N 0 3 370.501 2.284 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000311766250 553755707 /nfs/dbraw/zinc/75/57/07/553755707.db2.gz IYHSKNVEGGMUOH-QGZVFWFLSA-N 0 3 371.506 2.442 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CN1C1CC1 ZINC000328604734 553795056 /nfs/dbraw/zinc/79/50/56/553795056.db2.gz IVWBSACMMMROFU-VKJFTORMSA-N 0 3 362.518 2.439 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000328609473 553795677 /nfs/dbraw/zinc/79/56/77/553795677.db2.gz MTZYILOXVBPPTO-NUJGCVRESA-N 0 3 351.491 2.067 20 30 FEEDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000328689092 553807749 /nfs/dbraw/zinc/80/77/49/553807749.db2.gz CWRXOZVVSFYJGW-HNNXBMFYSA-N 0 3 362.499 2.106 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000328758355 553817674 /nfs/dbraw/zinc/81/76/74/553817674.db2.gz VVTFQPVZWCDBCY-KRWDZBQOSA-N 0 3 350.507 2.109 20 30 FEEDHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1 ZINC000328959233 553853516 /nfs/dbraw/zinc/85/35/16/553853516.db2.gz JYSFNHXMDXUUOS-KZNAEPCWSA-N 0 3 359.518 2.136 20 30 FEEDHN CC(=O)N1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC12CCCCC2 ZINC000328963280 553854209 /nfs/dbraw/zinc/85/42/09/553854209.db2.gz LKJVPOBVEGEIOQ-DOTOQJQBSA-N 0 3 350.507 2.250 20 30 FEEDHN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCC34CCN(C)CC4)C2)nn1 ZINC000329078054 553876573 /nfs/dbraw/zinc/87/65/73/553876573.db2.gz QKIDVHTVOBWACE-QGZVFWFLSA-N 0 3 372.517 2.228 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000329143915 553888541 /nfs/dbraw/zinc/88/85/41/553888541.db2.gz VWKLXFWMSXKCOX-ZMIKWESLSA-N 0 3 367.534 2.273 20 30 FEEDHN CC1CCN(CCNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329155192 553890924 /nfs/dbraw/zinc/89/09/24/553890924.db2.gz VBRQVUVVVYHTNE-INIZCTEOSA-N 0 3 350.507 2.156 20 30 FEEDHN Cc1cnn(CC2CCN(CC(=O)NC3CCN(C4CC4)CC3)CC2)c1 ZINC000329171565 553894876 /nfs/dbraw/zinc/89/48/76/553894876.db2.gz KOXOXBSPQZYCJW-UHFFFAOYSA-N 0 3 359.518 2.487 20 30 FEEDHN CCN1CCC[C@H](NC(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1 ZINC000329181171 553896786 /nfs/dbraw/zinc/89/67/86/553896786.db2.gz DQIASKOOQWBLHW-KBPBESRZSA-N 0 3 364.877 2.433 20 30 FEEDHN CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3C[C@H](N4CCCC4)C[C@H]3C)c2C1 ZINC000329224060 553906005 /nfs/dbraw/zinc/90/60/05/553906005.db2.gz YZXJNPJBYRJZBP-DJIMGWMZSA-N 0 3 373.501 2.121 20 30 FEEDHN CN(C)C(=O)C1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000329268887 553913984 /nfs/dbraw/zinc/91/39/84/553913984.db2.gz DXMULZJLVBHZNZ-QGZVFWFLSA-N 0 3 359.470 2.102 20 30 FEEDHN C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)C1=CCN(C)CC1 ZINC000329299867 553920448 /nfs/dbraw/zinc/92/04/48/553920448.db2.gz MGBMGFFZWRUWQC-RLFYNMQTSA-N 0 3 356.470 2.334 20 30 FEEDHN O=C(NCc1cccc(CN2CCCC2=O)c1)N[C@@H]1CCN(C2CC2)C1 ZINC000329327155 553925865 /nfs/dbraw/zinc/92/58/65/553925865.db2.gz XBDNNAOUMVKIBE-QGZVFWFLSA-N 0 3 356.470 2.049 20 30 FEEDHN CN(Cc1nccn1C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000329385677 553935888 /nfs/dbraw/zinc/93/58/88/553935888.db2.gz PJRJVZRMLNFPEG-UHFFFAOYSA-N 0 3 351.520 2.128 20 30 FEEDHN CC(C)(CNC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCc2ccccc2C1 ZINC000329493856 553957322 /nfs/dbraw/zinc/95/73/22/553957322.db2.gz CYGZUVXYFXHBAU-FHWLQOOXSA-N 0 3 357.498 2.440 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCCc3nccn3Cc3ccccc3)[C@@H]2C1 ZINC000329588624 553972562 /nfs/dbraw/zinc/97/25/62/553972562.db2.gz YZKKXRYVRYCCAN-RTBURBONSA-N 0 3 367.497 2.414 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCCC1)N1CCn2cncc2C1 ZINC000329661732 553984384 /nfs/dbraw/zinc/98/43/84/553984384.db2.gz OPHIFYFNZBPFKI-UHFFFAOYSA-N 0 3 363.531 2.364 20 30 FEEDHN Cc1ccc2nc(CNC(=O)Nc3ccn(C4CCN(C)CC4)n3)cn2c1 ZINC000329736362 553997260 /nfs/dbraw/zinc/99/72/60/553997260.db2.gz SNLGQTHQFZSZSS-UHFFFAOYSA-N 0 3 367.457 2.632 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329786187 554005403 /nfs/dbraw/zinc/00/54/03/554005403.db2.gz XPZUIPVZELQCBI-FMKPAKJESA-N 0 3 359.518 2.482 20 30 FEEDHN C[C@H](CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000329806635 554009648 /nfs/dbraw/zinc/00/96/48/554009648.db2.gz OCLAAJQGFDCOHX-MJGOQNOKSA-N 0 3 372.513 2.333 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncnc4sccc43)CC2)CCN1C ZINC000329815293 554011114 /nfs/dbraw/zinc/01/11/14/554011114.db2.gz VDNOGGFNSLLOET-ZIAGYGMSSA-N 0 3 374.514 2.210 20 30 FEEDHN O=C(C1CCCCC1)N1CC[C@H]([NH+]=C([O-])NC[C@H]2CCc3nccn3C2)C1 ZINC000329905029 554028094 /nfs/dbraw/zinc/02/80/94/554028094.db2.gz JMGMCMRBGDLPDQ-WBVHZDCISA-N 0 3 373.501 2.130 20 30 FEEDHN O=C(C1CCCCC1)N1CC[C@H](NC([O-])=[NH+]C[C@H]2CCc3nccn3C2)C1 ZINC000329905029 554028097 /nfs/dbraw/zinc/02/80/97/554028097.db2.gz JMGMCMRBGDLPDQ-WBVHZDCISA-N 0 3 373.501 2.130 20 30 FEEDHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCn2ncnc2C1 ZINC000329950785 554037237 /nfs/dbraw/zinc/03/72/37/554037237.db2.gz HZRSORQVDNIYEI-INIZCTEOSA-N 0 3 368.485 2.103 20 30 FEEDHN Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000329965329 554040530 /nfs/dbraw/zinc/04/05/30/554040530.db2.gz RADIFNGPBDPBCN-FUHWJXTLSA-N 0 3 360.502 2.348 20 30 FEEDHN COCCN1CC[C@H](NC(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 ZINC000329968484 554040894 /nfs/dbraw/zinc/04/08/94/554040894.db2.gz WCVSSQVUGWKNIM-IPMKNSEASA-N 0 3 361.486 2.439 20 30 FEEDHN CN(C)c1ncn(-c2cccc(NC(=O)N(C)C[C@H]3CCCN(C)C3)c2)n1 ZINC000330004037 554047968 /nfs/dbraw/zinc/04/79/68/554047968.db2.gz CFTUFZSZBQDVLS-HNNXBMFYSA-N 0 3 371.489 2.152 20 30 FEEDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCCN(CC)CC2)cn1 ZINC000330126279 554069505 /nfs/dbraw/zinc/06/95/05/554069505.db2.gz BZVLXEVQKPOIBB-WBVHZDCISA-N 0 3 362.478 2.005 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC000330136122 554071775 /nfs/dbraw/zinc/07/17/75/554071775.db2.gz NBUJHLMZYMJPSS-BBWFWOEESA-N 0 3 373.501 2.121 20 30 FEEDHN CC(C)[C@H](C(=O)N[C@H]1CCCN(c2ccnn2C)C1=O)N1CCCCC1 ZINC000330160057 554076355 /nfs/dbraw/zinc/07/63/55/554076355.db2.gz QWCBNXBBWYJNKC-DOTOQJQBSA-N 0 3 361.490 2.383 20 30 FEEDHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330164367 554076771 /nfs/dbraw/zinc/07/67/71/554076771.db2.gz VXCVEZRWRILULE-LZWOXQAQSA-N 0 3 361.504 2.376 20 30 FEEDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@]3(CCN(C)C3)C2)cn1 ZINC000330181156 554079668 /nfs/dbraw/zinc/07/96/68/554079668.db2.gz GLJLQRHVJMGYFN-AYBZRNKSSA-N 0 3 374.489 2.005 20 30 FEEDHN CO[C@@H]1CN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C[C@@H]1OC ZINC000330184355 554080261 /nfs/dbraw/zinc/08/02/61/554080261.db2.gz QOWHAPVRAAGOFB-QRVBRYPASA-N 0 3 361.486 2.392 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)N[C@@H]2CCCOC2)[C@@H]1c1cnn(C)c1 ZINC000330187478 554080736 /nfs/dbraw/zinc/08/07/36/554080736.db2.gz SZMHJMAPQXIUEK-CGTJXYLNSA-N 0 3 363.506 2.218 20 30 FEEDHN O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000330225256 554088603 /nfs/dbraw/zinc/08/86/03/554088603.db2.gz OCIADSDBAUKRNE-SJORKVTESA-N 0 3 351.491 2.189 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1cnn(C)c1 ZINC000330310939 554103703 /nfs/dbraw/zinc/10/37/03/554103703.db2.gz VJVIUSIIRXKIRE-NUJGCVRESA-N 0 3 361.490 2.161 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000507861286 561743733 /nfs/dbraw/zinc/74/37/33/561743733.db2.gz PENDYWZCYRSPBF-UHFFFAOYSA-N 0 3 370.497 2.002 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000330663113 554153133 /nfs/dbraw/zinc/15/31/33/554153133.db2.gz UUWOTYVHAXGNOI-HZPDHXFCSA-N 0 3 350.507 2.320 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)CC)CC1 ZINC000330663625 554153636 /nfs/dbraw/zinc/15/36/36/554153636.db2.gz VFZPDQMCZWYOEB-HOCLYGCPSA-N 0 3 353.532 2.091 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCOC2)cc1 ZINC000330730694 554164174 /nfs/dbraw/zinc/16/41/74/554164174.db2.gz IFQBTCCEUTVWAK-ZIAGYGMSSA-N 0 3 365.455 2.263 20 30 FEEDHN CN(C)S(=O)(=O)c1cccc(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000331006712 554200002 /nfs/dbraw/zinc/20/00/02/554200002.db2.gz XTRUVOBQGHMKPX-UHFFFAOYSA-N 0 3 367.515 2.364 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C(C)(C)O)cc1 ZINC000331175562 554225946 /nfs/dbraw/zinc/22/59/46/554225946.db2.gz KZFWAQKZAZHFDM-WFASDCNBSA-N 0 3 365.455 2.140 20 30 FEEDHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@@H]1CCCN1C1CCCCC1 ZINC000331241564 554235223 /nfs/dbraw/zinc/23/52/23/554235223.db2.gz JZZADGHQMOQDPA-VYDXJSESSA-N 0 3 373.563 2.451 20 30 FEEDHN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCCC2)CC1 ZINC000508862677 561775860 /nfs/dbraw/zinc/77/58/60/561775860.db2.gz FSKICDFZUPRPRG-MRXNPFEDSA-N 0 3 363.506 2.253 20 30 FEEDHN C[C@H](CC#N)N(C)S(=O)(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000509270939 561793209 /nfs/dbraw/zinc/79/32/09/561793209.db2.gz QSWJLCWXEZWWMX-MRXNPFEDSA-N 0 3 356.536 2.101 20 30 FEEDHN Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2ccc(C#N)c(C)c2)CC(=O)N1C ZINC000331955150 554351887 /nfs/dbraw/zinc/35/18/87/554351887.db2.gz HFCXFWPOGAMQJB-YLJYHZDGSA-N 0 3 351.454 2.279 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCO[C@H](C)C2)cc1 ZINC000332352303 554431178 /nfs/dbraw/zinc/43/11/78/554431178.db2.gz VRHRPCZDISKEFB-OLZOCXBDSA-N 0 3 351.428 2.015 20 30 FEEDHN C=C[C@@H](C)NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000332372365 554433974 /nfs/dbraw/zinc/43/39/74/554433974.db2.gz BNJDMQZWEZETTP-MSOLQXFVSA-N 0 3 357.502 2.200 20 30 FEEDHN C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000332394138 554438334 /nfs/dbraw/zinc/43/83/34/554438334.db2.gz NOSNSPKXXFXJLT-ATZDWAIDSA-N 0 3 355.486 2.092 20 30 FEEDHN C[C@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CCN1C1CCN(C)CC1 ZINC000332402310 554439792 /nfs/dbraw/zinc/43/97/92/554439792.db2.gz WBLQSKJPHKCEPK-KXBFYZLASA-N 0 3 355.486 2.235 20 30 FEEDHN CC(C)[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCCCC1 ZINC000332531856 554465186 /nfs/dbraw/zinc/46/51/86/554465186.db2.gz VYQKLGYOEZBGHA-IBGZPJMESA-N 0 3 355.486 2.112 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000332587121 554476833 /nfs/dbraw/zinc/47/68/33/554476833.db2.gz CMMDEAVZDYNMRL-GASCZTMLSA-N 0 3 367.490 2.485 20 30 FEEDHN C=CCN1CCC(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000510307544 561831083 /nfs/dbraw/zinc/83/10/83/561831083.db2.gz XHOIUFHWEWUBDU-UHFFFAOYSA-N 0 3 369.465 2.220 20 30 FEEDHN CN1CC[C@@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@@H]21 ZINC000333133640 554577449 /nfs/dbraw/zinc/57/74/49/554577449.db2.gz XIVRWPHZACXBMG-CJNGLKHVSA-N 0 3 358.511 2.463 20 30 FEEDHN C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1=CCN(C)CC1 ZINC000510803722 561847027 /nfs/dbraw/zinc/84/70/27/561847027.db2.gz LVSCBPYMVBYRAC-KRWDZBQOSA-N 0 3 368.481 2.480 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(c2ccc(OCCN3CCCCC3)cc2)C1=O ZINC000348600974 554690863 /nfs/dbraw/zinc/69/08/63/554690863.db2.gz XTFYRIBCJXABBY-SFHVURJKSA-N 0 3 373.453 2.179 20 30 FEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@@H](Cc2ccccn2)C1=O)C(C)C ZINC000349235424 554722528 /nfs/dbraw/zinc/72/25/28/554722528.db2.gz DXQFDRDWEYVWCM-ZWKOTPCHSA-N 0 3 356.470 2.243 20 30 FEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000361285609 554914840 /nfs/dbraw/zinc/91/48/40/554914840.db2.gz AQMGDKMMPNFDOT-QZTJIDSGSA-N 0 3 374.441 2.156 20 30 FEEDHN N#CCCn1cc(CNC[C@@H]2CN3CCC[C@H]3CO2)c(-c2ccccc2)n1 ZINC000362719980 554983754 /nfs/dbraw/zinc/98/37/54/554983754.db2.gz QSEXEWYMBLTIPS-VQTJNVASSA-N 0 3 365.481 2.417 20 30 FEEDHN CC[C@@](C)(C#N)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000511695784 561878394 /nfs/dbraw/zinc/87/83/94/561878394.db2.gz QEZGEAHRMUUDIP-FQEVSTJZSA-N 0 3 356.470 2.068 20 30 FEEDHN C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000511771448 561880320 /nfs/dbraw/zinc/88/03/20/561880320.db2.gz RSEFBJHOXLDBCD-FGTMMUONSA-N 0 3 354.498 2.464 20 30 FEEDHN N#Cc1ccc2ncc(CN[C@H]3CCCN(c4ccccc4C(N)=O)C3)n2c1 ZINC000363183474 555047995 /nfs/dbraw/zinc/04/79/95/555047995.db2.gz XJEZCBQUXIQOCH-INIZCTEOSA-N 0 3 374.448 2.063 20 30 FEEDHN CN1CCN(CCC2CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)CC1 ZINC000363344572 555082179 /nfs/dbraw/zinc/08/21/79/555082179.db2.gz FFXTZYCMGYUJOI-AATRIKPKSA-N 0 3 366.509 2.448 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000363388239 555092553 /nfs/dbraw/zinc/09/25/53/555092553.db2.gz RJOYAXSJHYAOHM-IBGZPJMESA-N 0 3 355.482 2.448 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)N(C(C)=O)CCS3)CC1 ZINC000363537993 555131514 /nfs/dbraw/zinc/13/15/14/555131514.db2.gz JWQFCJCZAJDPFS-UHFFFAOYSA-N 0 3 357.479 2.429 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000364147209 555258681 /nfs/dbraw/zinc/25/86/81/555258681.db2.gz TXMSEDGKILSLHI-STQMWFEESA-N 0 3 373.432 2.371 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](N)C1 ZINC000364186541 555265705 /nfs/dbraw/zinc/26/57/05/555265705.db2.gz XZZFGRMOSJLZED-DLBZAZTESA-N 0 3 359.426 2.121 20 30 FEEDHN C=CCN(C(=O)N[C@H]1CCC(=O)N(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364277349 555283329 /nfs/dbraw/zinc/28/33/29/555283329.db2.gz AQXPTIYVBGYRPH-OALUTQOASA-N 0 3 370.497 2.079 20 30 FEEDHN C=CCN(C(=O)NOC[C@H]1CCOC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364959636 555450931 /nfs/dbraw/zinc/45/09/31/555450931.db2.gz XREUEVCQEGQKBZ-OALUTQOASA-N 0 3 359.470 2.427 20 30 FEEDHN FC(F)OC[C@H]1CCN(CC#CCN2CC[C@H](COC(F)F)C2)C1 ZINC000512838129 561917434 /nfs/dbraw/zinc/91/74/34/561917434.db2.gz BKYSENXZCUCVKO-KBPBESRZSA-N 0 3 352.372 2.112 20 30 FEEDHN C=CCOc1ccccc1CNC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000512904273 561919597 /nfs/dbraw/zinc/91/95/97/561919597.db2.gz QBXXXKLSMRFADM-YQQQUEKLSA-N 0 3 357.498 2.425 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000365184597 555504446 /nfs/dbraw/zinc/50/44/46/555504446.db2.gz HKZFMAOCISQMNF-INIZCTEOSA-N 0 3 371.485 2.092 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000513399242 561936922 /nfs/dbraw/zinc/93/69/22/561936922.db2.gz ISPVBCXNWRRYJU-UHFFFAOYSA-N 0 3 364.449 2.088 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000365925477 555702537 /nfs/dbraw/zinc/70/25/37/555702537.db2.gz WYSOPOYUAYPTFY-FUHWJXTLSA-N 0 3 367.497 2.405 20 30 FEEDHN N#Cc1ncn(C2CCN(C(=O)c3ccc(CN4CCCC4)cc3)CC2)n1 ZINC000366339828 555815490 /nfs/dbraw/zinc/81/54/90/555815490.db2.gz MLLLALJOWKBTMN-UHFFFAOYSA-N 0 3 364.453 2.223 20 30 FEEDHN N#Cc1ncn(C2CCN(CCC(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000366342456 555816484 /nfs/dbraw/zinc/81/64/84/555816484.db2.gz XGVFTGATXBVTOY-UHFFFAOYSA-N 0 3 358.833 2.469 20 30 FEEDHN N#Cc1ncn(C2CCN(CCC(=O)N3CCCc4ccccc43)CC2)n1 ZINC000367024318 556000387 /nfs/dbraw/zinc/00/03/87/556000387.db2.gz XWXJFBYRNZMJTO-UHFFFAOYSA-N 0 3 364.453 2.156 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CN1C1CC1 ZINC000367154875 556002504 /nfs/dbraw/zinc/00/25/04/556002504.db2.gz YCOWDMCVPVHGJS-CVEARBPZSA-N 0 3 353.470 2.274 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)CC1 ZINC000367234888 556003699 /nfs/dbraw/zinc/00/36/99/556003699.db2.gz VKNXJFLWYYFGSN-UHFFFAOYSA-N 0 3 362.518 2.213 20 30 FEEDHN C#CC[C@@]1(C(=O)NC2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000367326019 556019137 /nfs/dbraw/zinc/01/91/37/556019137.db2.gz HLEDAERNVSTAPR-FQEVSTJZSA-N 0 3 363.502 2.380 20 30 FEEDHN Cc1cc(C#N)nc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)n1 ZINC000367349969 556025139 /nfs/dbraw/zinc/02/51/39/556025139.db2.gz WNYFOZVHHCEZMX-FQEVSTJZSA-N 0 3 362.481 2.053 20 30 FEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000367580267 556088605 /nfs/dbraw/zinc/08/86/05/556088605.db2.gz AKLRYRSVXNYCPS-MRXNPFEDSA-N 0 3 361.490 2.169 20 30 FEEDHN N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@@H](N4CCCC4)C3)C2)c(F)c1 ZINC000367651466 556104840 /nfs/dbraw/zinc/10/48/40/556104840.db2.gz SCEZGQRXHKVJIW-IAGOWNOFSA-N 0 3 356.445 2.220 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@H]2[C@H]1c1ccccc1 ZINC000368619107 556364474 /nfs/dbraw/zinc/36/44/74/556364474.db2.gz NNRQKHMNLLMFOL-QGPMSJSTSA-N 0 3 357.435 2.075 20 30 FEEDHN C[C@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@H]1C ZINC000368732410 556400201 /nfs/dbraw/zinc/40/02/01/556400201.db2.gz JUGWEEDRPNDPDV-BZUAXINKSA-N 0 3 355.486 2.617 20 30 FEEDHN Cc1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)nn1-c1cccc(C#N)c1 ZINC000368800883 556416101 /nfs/dbraw/zinc/41/61/01/556416101.db2.gz SWNHKEFTTJSULB-FUHWJXTLSA-N 0 3 364.453 2.610 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN1CCCN([C@@H](C)CO)CC1 ZINC000368962672 556461000 /nfs/dbraw/zinc/46/10/00/556461000.db2.gz CFUAYGRXWCHTOL-INIZCTEOSA-N 0 3 363.527 2.292 20 30 FEEDHN Cc1nc(C)n(C[C@H]2CCCCN2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000369238860 556545841 /nfs/dbraw/zinc/54/58/41/556545841.db2.gz SPMLBZZCADYQRQ-MOPGFXCFSA-N 0 3 369.469 2.061 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCN(c3ccc(C)c(C)c3)C2=O)CC1 ZINC000369589805 556640571 /nfs/dbraw/zinc/64/05/71/556640571.db2.gz ABGYOPQYHLYWBY-HXUWFJFHSA-N 0 3 367.493 2.260 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1Cn1nc(C)nc1C ZINC000369593057 556641736 /nfs/dbraw/zinc/64/17/36/556641736.db2.gz TVEPHTRVXRUILC-KRWDZBQOSA-N 0 3 355.442 2.319 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1 ZINC000369752257 556685222 /nfs/dbraw/zinc/68/52/22/556685222.db2.gz FFNYQGHRUSEUSM-IBGZPJMESA-N 0 3 359.514 2.162 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCN1C ZINC000369859237 556714281 /nfs/dbraw/zinc/71/42/81/556714281.db2.gz AFIUAKXDZKPIJW-CRAIPNDOSA-N 0 3 370.501 2.046 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCCCC3)C2)cc1 ZINC000370119390 556786180 /nfs/dbraw/zinc/78/61/80/556786180.db2.gz HSNRPBGVFTXGDJ-GOSISDBHSA-N 0 3 354.454 2.364 20 30 FEEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370406490 556863107 /nfs/dbraw/zinc/86/31/07/556863107.db2.gz NAIMLEDDNVUBEH-LAUBAEHRSA-N 0 3 368.481 2.266 20 30 FEEDHN CN1CCC(C#N)(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000517345568 562086091 /nfs/dbraw/zinc/08/60/91/562086091.db2.gz HFKIYCJBBYRJLW-QGZVFWFLSA-N 0 3 358.461 2.142 20 30 FEEDHN CC1(C)C(=O)N[C@H]1C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000517388174 562088082 /nfs/dbraw/zinc/08/80/82/562088082.db2.gz YUKGUVPLXHAPIH-HNNXBMFYSA-N 0 3 360.483 2.185 20 30 FEEDHN C=CCSCCNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000371585762 557230463 /nfs/dbraw/zinc/23/04/63/557230463.db2.gz LPFAMSOINZPRPZ-UHFFFAOYSA-N 0 3 371.510 2.213 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000371609052 557238605 /nfs/dbraw/zinc/23/86/05/557238605.db2.gz UGQVQQDIRFXXFH-ZACQAIPSSA-N 0 3 372.469 2.430 20 30 FEEDHN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@H](c1ccccc1)N(C)C ZINC000518171949 562105728 /nfs/dbraw/zinc/10/57/28/562105728.db2.gz KEFPLPADVKBCFG-HNAYVOBHSA-N 0 3 372.494 2.008 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-n2nnnc2C)cc1)C(C)C ZINC000518197283 562106244 /nfs/dbraw/zinc/10/62/44/562106244.db2.gz IJQLEDNVBUGGLU-LJQANCHMSA-N 0 3 368.485 2.399 20 30 FEEDHN Cc1sc(NC(=O)CNC2(CO)Cc3ccccc3C2)c(C#N)c1C ZINC000371866339 557314404 /nfs/dbraw/zinc/31/44/04/557314404.db2.gz IASCUMVNJAZBMV-UHFFFAOYSA-N 0 3 355.463 2.295 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)C2)CC1 ZINC000371942728 557334611 /nfs/dbraw/zinc/33/46/11/557334611.db2.gz NCXCZAJWSWASPZ-IBGZPJMESA-N 0 3 355.486 2.385 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000372653763 557530496 /nfs/dbraw/zinc/53/04/96/557530496.db2.gz FTTFAKWSMRSVNF-AYOQOUSVSA-N 0 3 356.470 2.247 20 30 FEEDHN C[C@@H](CO)N1CCCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000372796813 557563972 /nfs/dbraw/zinc/56/39/72/557563972.db2.gz CQWNCQRBWQIOKC-ZDUSSCGKSA-N 0 3 352.276 2.209 20 30 FEEDHN COC(=O)[C@]12CCC[C@H]1CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000373403402 557687411 /nfs/dbraw/zinc/68/74/11/557687411.db2.gz HEEDZXBFIYLKCC-UWVAXJGDSA-N 0 3 351.406 2.042 20 30 FEEDHN COc1cccc2c1OC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000373445063 557695091 /nfs/dbraw/zinc/69/50/91/557695091.db2.gz ZNGNONRHHUOJCN-MSOLQXFVSA-N 0 3 361.401 2.369 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)cc1Cl ZINC000373921409 557787355 /nfs/dbraw/zinc/78/73/55/557787355.db2.gz MDYHBAMWTQNDAI-HNNXBMFYSA-N 0 3 360.845 2.237 20 30 FEEDHN O=C(CN1CCCC[C@H](CO)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000374048500 557813844 /nfs/dbraw/zinc/81/38/44/557813844.db2.gz HEXALXVYYJKNDP-INIZCTEOSA-N 0 3 368.399 2.268 20 30 FEEDHN Cn1nccc1[C@H]1[C@H](NCc2ccc(C#N)c(F)c2)CCC(=O)N1C1CC1 ZINC000520790230 562163826 /nfs/dbraw/zinc/16/38/26/562163826.db2.gz NKLBSJWOLJJXOG-YLJYHZDGSA-N 0 3 367.428 2.415 20 30 FEEDHN C[C@@H](NCc1cn(C)c(=O)n(C)c1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374696640 557918035 /nfs/dbraw/zinc/91/80/35/557918035.db2.gz YINORPHZAHBUJW-OAHLLOKOSA-N 0 3 374.444 2.473 20 30 FEEDHN CN1CCN(C2CCN(Cc3cccc(OCCCC#N)c3)CC2)C(=O)C1 ZINC000374737635 557923416 /nfs/dbraw/zinc/92/34/16/557923416.db2.gz TZXYIUOLQUQWPX-UHFFFAOYSA-N 0 3 370.497 2.108 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000374974457 557958355 /nfs/dbraw/zinc/95/83/55/557958355.db2.gz ZSPBOUQLOGRACW-BQYQJAHWSA-N 0 3 366.509 2.448 20 30 FEEDHN C[C@@H]1C[C@H](CNS(=O)(=O)c2cccnc2C#N)CN1Cc1ccccc1 ZINC000375440148 558027545 /nfs/dbraw/zinc/02/75/45/558027545.db2.gz YLRPOVXZKUUUTA-NVXWUHKLSA-N 0 3 370.478 2.142 20 30 FEEDHN C[C@H](N[C@H]1CCCC[C@H]1N1CCOCC1)C(=O)Nc1ccccc1C#N ZINC000375474702 558033894 /nfs/dbraw/zinc/03/38/94/558033894.db2.gz RTARFHOFDDVUJA-ZYSHUDEJSA-N 0 3 356.470 2.118 20 30 FEEDHN C[C@H](N[C@@H]1CCCC[C@@H]1N1CCOCC1)C(=O)Nc1ccccc1C#N ZINC000375474696 558033946 /nfs/dbraw/zinc/03/39/46/558033946.db2.gz RTARFHOFDDVUJA-IPELMVKDSA-N 0 3 356.470 2.118 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000376117657 558129300 /nfs/dbraw/zinc/12/93/00/558129300.db2.gz QAQQJOFRWSICHB-INIZCTEOSA-N 0 3 360.889 2.452 20 30 FEEDHN CN1CCN(C[C@@H]2CCCN(c3nc4cc(Cl)ccn4c3C#N)C2)CC1 ZINC000376188040 558138453 /nfs/dbraw/zinc/13/84/53/558138453.db2.gz OOTOLTVYZTWHHQ-HNNXBMFYSA-N 0 3 372.904 2.323 20 30 FEEDHN Cn1ccnc1C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000376496397 558180851 /nfs/dbraw/zinc/18/08/51/558180851.db2.gz WZBFOZAIEYJJOV-OALUTQOASA-N 0 3 361.449 2.455 20 30 FEEDHN N#CC1(CCCN2CCC[C@@H]2C(=O)N2CCSCC2)CCOCC1 ZINC000376627903 558199730 /nfs/dbraw/zinc/19/97/30/558199730.db2.gz QALUCPROPLXZJS-MRXNPFEDSA-N 0 3 351.516 2.127 20 30 FEEDHN CCOC(=O)C1CCN(C(=O)C[C@H](C)NCc2ccc(CC#N)cc2)CC1 ZINC000522000054 562188685 /nfs/dbraw/zinc/18/86/85/562188685.db2.gz CZBLPCXUEJUTBJ-INIZCTEOSA-N 0 3 371.481 2.423 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1 ZINC000377334626 558318108 /nfs/dbraw/zinc/31/81/08/558318108.db2.gz OTHQWIKYKQJDPE-DOTOQJQBSA-N 0 3 357.454 2.275 20 30 FEEDHN COC1CCN(C2(CN[C@H](C(N)=O)c3ccc(C#N)cc3)CCCC2)CC1 ZINC000522370638 562197555 /nfs/dbraw/zinc/19/75/55/562197555.db2.gz BBWIBGBOABZMRM-IBGZPJMESA-N 0 3 370.497 2.098 20 30 FEEDHN CN1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000377758147 558413249 /nfs/dbraw/zinc/41/32/49/558413249.db2.gz BIJKNKFDYRSMCU-YOEHRIQHSA-N 0 3 368.462 2.367 20 30 FEEDHN CN1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000377759874 558413893 /nfs/dbraw/zinc/41/38/93/558413893.db2.gz IAUQVCDZXVUQFT-RHSMWYFYSA-N 0 3 368.462 2.367 20 30 FEEDHN C#CC[C@H](NC(=O)N1CCC[C@H]1CN1CCC[C@@H]1CO)c1ccccc1 ZINC000378277440 558517457 /nfs/dbraw/zinc/51/74/57/558517457.db2.gz MMEVLYMBGORCDK-ZCNNSNEGSA-N 0 3 355.482 2.382 20 30 FEEDHN Cc1cc(=NC(=O)N(C)C2CCN(c3ccncc3)CC2)[nH]n1CCC#N ZINC000378513178 558572942 /nfs/dbraw/zinc/57/29/42/558572942.db2.gz APXABPQFVWEHOC-UHFFFAOYSA-N 0 3 367.457 2.633 20 30 FEEDHN Cc1nnc(NCC2(O)CCN(Cc3ccccc3)CC2)c(C#N)c1C ZINC000397626975 558624629 /nfs/dbraw/zinc/62/46/29/558624629.db2.gz YISZGWWTZIMRLH-UHFFFAOYSA-N 0 3 351.454 2.404 20 30 FEEDHN CC(=O)N1CCC(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000524300202 562226686 /nfs/dbraw/zinc/22/66/86/562226686.db2.gz HIFBHKXLDCFVIL-NSHDSACASA-N 0 3 360.483 2.036 20 30 FEEDHN Cc1cc(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)ccc1OCCN(C)C ZINC000411421161 558891899 /nfs/dbraw/zinc/89/18/99/558891899.db2.gz VOPPZDKXIFUHII-CQSZACIVSA-N 0 3 372.469 2.025 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](CO)[C@@H]1CCCOC1 ZINC000411999722 559000999 /nfs/dbraw/zinc/00/09/99/559000999.db2.gz XYWLKSUYASDGDE-UXLLHSPISA-N 0 3 352.500 2.028 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCCNC1=O ZINC000412993256 559069344 /nfs/dbraw/zinc/06/93/44/559069344.db2.gz XICVDCNIUCURKD-OAHLLOKOSA-N 0 3 363.531 2.111 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000413940549 559142063 /nfs/dbraw/zinc/14/20/63/559142063.db2.gz BPOPVZKEWUPRGD-AVRDEDQJSA-N 0 3 361.445 2.415 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](CN)C2CCCCC2)cc1C#N ZINC000415432326 559236060 /nfs/dbraw/zinc/23/60/60/559236060.db2.gz VSXQUSFYPOKIHL-QGZVFWFLSA-N 0 3 372.469 2.308 20 30 FEEDHN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](CN)C3CC3)cc2)cc1 ZINC000415445436 559237745 /nfs/dbraw/zinc/23/77/45/559237745.db2.gz FIEJCXRSFFXKRG-GOSISDBHSA-N 0 3 364.405 2.143 20 30 FEEDHN N#Cc1ccsc1NC(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](N)C1 ZINC000415862065 559279451 /nfs/dbraw/zinc/27/94/51/559279451.db2.gz RPPMMCZXKFDLIR-LSDHHAIUSA-N 0 3 372.425 2.041 20 30 FEEDHN C[C@H](C#N)S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000416481894 559316498 /nfs/dbraw/zinc/31/64/98/559316498.db2.gz WIVUNYJRMIGWKT-LSTHTHJFSA-N 0 3 369.490 2.486 20 30 FEEDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000416659179 559328178 /nfs/dbraw/zinc/32/81/78/559328178.db2.gz HEICWXKOMUHMON-UHFFFAOYSA-N 0 3 357.426 2.331 20 30 FEEDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000416659367 559328243 /nfs/dbraw/zinc/32/82/43/559328243.db2.gz HRAVDHWQHBJNJP-UHFFFAOYSA-N 0 3 353.463 2.333 20 30 FEEDHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCc2cccc(C#N)c2)cc1 ZINC000419082214 559427457 /nfs/dbraw/zinc/42/74/57/559427457.db2.gz TYGJFWHHNYZNPW-IBGZPJMESA-N 0 3 364.449 2.114 20 30 FEEDHN C=CCC[C@H](NC(=O)C(=O)N(C)CCN)c1ccc(C(F)(F)F)cc1 ZINC000419470102 559444163 /nfs/dbraw/zinc/44/41/63/559444163.db2.gz DYWYCSMDIKYMJO-AWEZNQCLSA-N 0 3 357.376 2.246 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000420857204 559507868 /nfs/dbraw/zinc/50/78/68/559507868.db2.gz HELBPRJWOQAXHL-QGZVFWFLSA-N 0 3 358.486 2.242 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000421145607 559526590 /nfs/dbraw/zinc/52/65/90/559526590.db2.gz AKBHAFAEOXXCNA-SFHVURJKSA-N 0 3 355.482 2.033 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)c(C#N)cn1CC ZINC000421173672 559528736 /nfs/dbraw/zinc/52/87/36/559528736.db2.gz MCXSNBCQAZEFJQ-GXTWGEPZSA-N 0 3 361.446 2.161 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c(C#N)cn1CC ZINC000421176392 559528963 /nfs/dbraw/zinc/52/89/63/559528963.db2.gz RUNZSXCRAJGKLD-CABCVRRESA-N 0 3 373.457 2.257 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)CCCc2cccnc2)CC1 ZINC000422300534 559576808 /nfs/dbraw/zinc/57/68/08/559576808.db2.gz VIPKWIUYDJGSFO-KRWDZBQOSA-N 0 3 372.513 2.066 20 30 FEEDHN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H](N)CCCC#N)CC2)cc1F ZINC000424087848 559654312 /nfs/dbraw/zinc/65/43/12/559654312.db2.gz GCYLPVQUCIEEMF-GOSISDBHSA-N 0 3 374.460 2.010 20 30 FEEDHN CC[C@@H](C(=O)N1CCC(NC(=O)[C@H](N)CCCC#N)CC1)c1ccccc1 ZINC000424109962 559654980 /nfs/dbraw/zinc/65/49/80/559654980.db2.gz BNZJVQBFLKDENQ-RTBURBONSA-N 0 3 370.497 2.309 20 30 FEEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)cccc1C(=O)N1CCSCC1 ZINC000424111405 559655167 /nfs/dbraw/zinc/65/51/67/559655167.db2.gz GJORTJDWJDURII-HNNXBMFYSA-N 0 3 360.483 2.144 20 30 FEEDHN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424114816 559655287 /nfs/dbraw/zinc/65/52/87/559655287.db2.gz SFIYQKGKTFXEFA-OAHLLOKOSA-N 0 3 360.483 2.144 20 30 FEEDHN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000424117627 559655391 /nfs/dbraw/zinc/65/53/91/559655391.db2.gz BOMCWPCURYNFNR-CVEARBPZSA-N 0 3 363.531 2.191 20 30 FEEDHN CCOC(=O)c1csc(C2CCN(C(=O)[C@H](N)CCCC#N)CC2)n1 ZINC000424183110 559656978 /nfs/dbraw/zinc/65/69/78/559656978.db2.gz BSQFVPLYZSNPSN-CYBMUJFWSA-N 0 3 364.471 2.047 20 30 FEEDHN CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)n1 ZINC000424186915 559657034 /nfs/dbraw/zinc/65/70/34/559657034.db2.gz JEWQEONMXBXIML-WCQYABFASA-N 0 3 350.444 2.004 20 30 FEEDHN C=CCCn1cc(C(=O)NCC2(N3CCC(OC)CC3)CCCC2)nn1 ZINC000424664914 559673063 /nfs/dbraw/zinc/67/30/63/559673063.db2.gz POUGRHNGSDNBBK-UHFFFAOYSA-N 0 3 361.490 2.008 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)nn1 ZINC000425567398 559710146 /nfs/dbraw/zinc/71/01/46/559710146.db2.gz SJSXUDJXARFZRW-RHSMWYFYSA-N 0 3 374.514 2.408 20 30 FEEDHN C=CCn1cc(CNC(=O)Nc2ccc(C)cc2OCCN(C)C)nn1 ZINC000425657691 559713507 /nfs/dbraw/zinc/71/35/07/559713507.db2.gz TUGZIKXQSPLMJZ-UHFFFAOYSA-N 0 3 358.446 2.035 20 30 FEEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000427717100 559760920 /nfs/dbraw/zinc/76/09/20/559760920.db2.gz AFAREVDUADTEDL-MRXNPFEDSA-N 0 3 359.470 2.441 20 30 FEEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428246130 559772267 /nfs/dbraw/zinc/77/22/67/559772267.db2.gz NLDPCBZXFLXDRL-CQSZACIVSA-N 0 3 358.467 2.361 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc(C#N)s1 ZINC000428688718 559781263 /nfs/dbraw/zinc/78/12/63/559781263.db2.gz AKKWOGVHDHXXAG-LJQANCHMSA-N 0 3 355.463 2.329 20 30 FEEDHN C=C(C)[C@@H](CC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)OCC ZINC000428974347 559786955 /nfs/dbraw/zinc/78/69/55/559786955.db2.gz FGAAKKFVOVWHTM-CTNGQTDRSA-N 0 3 360.498 2.453 20 30 FEEDHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1CC(=O)NCC#N ZINC000429367786 559796992 /nfs/dbraw/zinc/79/69/92/559796992.db2.gz USPQSKXTDJBHEE-HXUWFJFHSA-N 0 3 356.514 2.291 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(CO)c2)cc1 ZINC000429947781 559809465 /nfs/dbraw/zinc/80/94/65/559809465.db2.gz PJSHYZUUWPLPFB-ZDUSSCGKSA-N 0 3 373.434 2.186 20 30 FEEDHN CCN(C(=O)C(C#N)CCc1ccccc1)[C@@H](C)CS(=O)(=O)CC ZINC000433352081 559877958 /nfs/dbraw/zinc/87/79/58/559877958.db2.gz HJNVZRNAUKJIGO-DOTOQJQBSA-N 0 3 350.484 2.431 20 30 FEEDHN CC(=O)N(C)C1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435127535 559916713 /nfs/dbraw/zinc/91/67/13/559916713.db2.gz COEQCOCUAIUGMZ-UHFFFAOYSA-N 0 3 366.469 2.301 20 30 FEEDHN Cc1cc(C(C#N)C(=O)c2cc3c(nc4ccccn4c3=O)n2C)nc(C)n1 ZINC000439649211 559998502 /nfs/dbraw/zinc/99/85/02/559998502.db2.gz BQSDMELCGKQWBT-CQSZACIVSA-N 0 3 372.388 2.083 20 30 FEEDHN CC(C(=O)N[C@@H](CCC#N)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000439668301 559998631 /nfs/dbraw/zinc/99/86/31/559998631.db2.gz AVFYHHGDOFONTE-PBHICJAKSA-N 0 3 364.467 2.130 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000441716526 560038237 /nfs/dbraw/zinc/03/82/37/560038237.db2.gz ODCLPTKALARGCF-FZKQIMNGSA-N 0 3 368.412 2.443 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1C ZINC000442151249 560045063 /nfs/dbraw/zinc/04/50/63/560045063.db2.gz INXLALGEWUCRGS-GXFFZTMASA-N 0 3 368.359 2.114 20 30 FEEDHN CN(C)CCOc1ccc(CCNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000443063775 560068665 /nfs/dbraw/zinc/06/86/65/560068665.db2.gz FDJHDMXCIZCXKA-UHFFFAOYSA-N 0 3 373.478 2.020 20 30 FEEDHN CN(C)C1(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CCC1 ZINC000445730038 560134323 /nfs/dbraw/zinc/13/43/23/560134323.db2.gz CDZZPQNYZMZECN-UHFFFAOYSA-N 0 3 372.288 2.083 20 30 FEEDHN Cc1cc(NC(=O)Nc2ccc(C)cc2OCCN(C)C)nn1CCC#N ZINC000446193175 560141518 /nfs/dbraw/zinc/14/15/18/560141518.db2.gz SZKOCMAPRSYGKS-UHFFFAOYSA-N 0 3 370.457 2.998 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000447556128 560164521 /nfs/dbraw/zinc/16/45/21/560164521.db2.gz FCBKQBFJXNYQPW-QGZVFWFLSA-N 0 3 368.437 2.036 20 30 FEEDHN CN(C)C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448885522 560204967 /nfs/dbraw/zinc/20/49/67/560204967.db2.gz XARLXQBQRDSSFY-GOEBONIOSA-N 0 3 374.872 2.117 20 30 FEEDHN N#CCCCOc1cccc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000449692143 560237134 /nfs/dbraw/zinc/23/71/34/560237134.db2.gz AJZNIHCRGMPBLP-IBGZPJMESA-N 0 3 370.497 2.155 20 30 FEEDHN CN(C)C[C@@H]1CCCN1C(=O)COc1cccc(Br)c1C#N ZINC000449828914 560241666 /nfs/dbraw/zinc/24/16/66/560241666.db2.gz QREKKAOFGTWHJN-LBPRGKRZSA-N 0 3 366.259 2.252 20 30 FEEDHN CN(CCN1CCCC1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449841041 560242175 /nfs/dbraw/zinc/24/21/75/560242175.db2.gz TWMDPIKRKGAFIG-UHFFFAOYSA-N 0 3 366.259 2.254 20 30 FEEDHN Cn1c(C#N)ccc1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000449901890 560244756 /nfs/dbraw/zinc/24/47/56/560244756.db2.gz NSEIDYYGACCOIT-UHFFFAOYSA-N 0 3 370.428 2.309 20 30 FEEDHN C[C@@H]1CN(CCCCNc2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000450374412 560260435 /nfs/dbraw/zinc/26/04/35/560260435.db2.gz FJYRQJPGXVWHND-BETUJISGSA-N 0 3 367.291 3.017 20 30 FEEDHN CN1CC=C(CNC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000450419146 560261778 /nfs/dbraw/zinc/26/17/78/560261778.db2.gz NWRLVWIQWJWODK-UHFFFAOYSA-N 0 3 364.243 2.078 20 30 FEEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H]1CCCN1CCCO ZINC000450599186 560267494 /nfs/dbraw/zinc/26/74/94/560267494.db2.gz RXBSXYMMMQDUEC-LBPRGKRZSA-N 0 3 364.371 2.204 20 30 FEEDHN CN(C)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 ZINC000451011939 560282409 /nfs/dbraw/zinc/28/24/09/560282409.db2.gz YJCVOGGYTHXCHT-AWEZNQCLSA-N 0 3 374.872 2.165 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CNC1(Cc2ccccc2)CCOCC1 ZINC000451935352 560339024 /nfs/dbraw/zinc/33/90/24/560339024.db2.gz DZZOYJXLNCKKSU-UHFFFAOYSA-N 0 3 354.454 2.024 20 30 FEEDHN CS(=O)(=O)CC1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000452693513 560371313 /nfs/dbraw/zinc/37/13/13/560371313.db2.gz AIGIYPLFLRCWRN-ADKAHSJRSA-N 0 3 362.495 2.479 20 30 FEEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)C1CCCCC1 ZINC000453598869 560390382 /nfs/dbraw/zinc/39/03/82/560390382.db2.gz MNVLUALAZOFHFH-SFHVURJKSA-N 0 3 356.470 2.318 20 30 FEEDHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453643001 560392814 /nfs/dbraw/zinc/39/28/14/560392814.db2.gz XISDQHWFHYUBMK-UHFFFAOYSA-N 0 3 362.861 2.287 20 30 FEEDHN C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000453877861 560410139 /nfs/dbraw/zinc/41/01/39/560410139.db2.gz GCDWFJIVJZYGSU-UHFFFAOYSA-N 0 3 372.513 2.091 20 30 FEEDHN C=C(CC)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000454041453 560424175 /nfs/dbraw/zinc/42/41/75/560424175.db2.gz YDDJRFBIKBSJBZ-UHFFFAOYSA-N 0 3 353.850 2.301 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000454363288 560441803 /nfs/dbraw/zinc/44/18/03/560441803.db2.gz NVCNPWPUFQKHDD-UXHICEINSA-N 0 3 372.513 2.232 20 30 FEEDHN C=CC(C)(C)CNC(=O)N1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000455391347 560480495 /nfs/dbraw/zinc/48/04/95/560480495.db2.gz XAJYHLBBYKRVKS-SFHVURJKSA-N 0 3 364.534 2.174 20 30 FEEDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cc(C)c(C#N)cn1 ZINC000457492124 560570296 /nfs/dbraw/zinc/57/02/96/560570296.db2.gz SZPMDAGHNRHBAA-QGZVFWFLSA-N 0 3 372.469 2.141 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000457511766 560571667 /nfs/dbraw/zinc/57/16/67/560571667.db2.gz MUUZKSZZJZGOLO-CRAIPNDOSA-N 0 3 373.453 2.466 20 30 FEEDHN CC#CCN(C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000457877168 560591710 /nfs/dbraw/zinc/59/17/10/560591710.db2.gz UWIMALHBVFFSES-UHFFFAOYSA-N 0 3 356.514 2.249 20 30 FEEDHN C=CCC[C@H](CO)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000458389382 560619527 /nfs/dbraw/zinc/61/95/27/560619527.db2.gz QAEPKXXJIRCRGW-MRXNPFEDSA-N 0 3 355.548 2.364 20 30 FEEDHN C=C(C)Cn1c(CCCC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000460800319 560752198 /nfs/dbraw/zinc/75/21/98/560752198.db2.gz RTCMHKQAUYLYAD-SFHVURJKSA-N 0 3 360.550 2.413 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccc(CN(C)C)c1 ZINC000461743099 560781357 /nfs/dbraw/zinc/78/13/57/560781357.db2.gz QSFCDZLJQVGEQX-UHFFFAOYSA-N 0 3 360.421 2.761 20 30 FEEDHN N#CC(C(=O)c1ccccc1OCC(N)=O)c1cc(C(F)(F)F)ccn1 ZINC000464466856 560842519 /nfs/dbraw/zinc/84/25/19/560842519.db2.gz JJVUKWKYJIBBPN-GFCCVEGCSA-N 0 3 363.295 2.455 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1C ZINC000465874273 560874569 /nfs/dbraw/zinc/87/45/69/560874569.db2.gz MNYQLFGNTALBDH-PVAVHDDUSA-N 0 3 373.476 2.448 20 30 FEEDHN CC(C#N)C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000469720285 560962685 /nfs/dbraw/zinc/96/26/85/560962685.db2.gz LRZHQGZVIYKWLX-GFCCVEGCSA-N 0 3 354.376 2.233 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nnnn1-c1ccccc1 ZINC000470944507 560994834 /nfs/dbraw/zinc/99/48/34/560994834.db2.gz KGBHDBFTIJSYMS-YOEHRIQHSA-N 0 3 371.404 2.094 20 30 FEEDHN Cn1nc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000471163471 560999393 /nfs/dbraw/zinc/99/93/93/560999393.db2.gz WOSQIHZDGXHMIF-QGZVFWFLSA-N 0 3 357.417 2.486 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000472293354 561023495 /nfs/dbraw/zinc/02/34/95/561023495.db2.gz GJXSDYWPBWBRRH-UHFFFAOYSA-N 0 3 372.391 2.429 20 30 FEEDHN CC(C)[C@H](CNC(=O)c1cnn(C)c1C#N)N1CCc2ccccc2C1 ZINC000474779441 561082744 /nfs/dbraw/zinc/08/27/44/561082744.db2.gz GWVPJTDAZQFDQF-IBGZPJMESA-N 0 3 351.454 2.104 20 30 FEEDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528366808 562325191 /nfs/dbraw/zinc/32/51/91/562325191.db2.gz PSKBGDXCWCJYBE-WDSOQIARSA-N 0 3 373.497 2.315 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000528399554 562326892 /nfs/dbraw/zinc/32/68/92/562326892.db2.gz WQVNURGYUATFEN-UYAOXDASSA-N 0 3 374.481 2.348 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H](C2CCOCC2)C1 ZINC000528429358 562328915 /nfs/dbraw/zinc/32/89/15/562328915.db2.gz VAZIWAWPIFJJOB-KRWDZBQOSA-N 0 3 352.434 2.035 20 30 FEEDHN CC(C)C[C@]1(CO)CCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528469882 562330837 /nfs/dbraw/zinc/33/08/37/562330837.db2.gz CJGCQQVLOCKPDF-NRFANRHFSA-N 0 3 354.450 2.159 20 30 FEEDHN CN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC12CCCCC2 ZINC000528515969 562333404 /nfs/dbraw/zinc/33/34/04/562333404.db2.gz IEJZYURBAGTXAF-UHFFFAOYSA-N 0 3 365.477 2.236 20 30 FEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(C)(N2CCOCC2)CC1 ZINC000528729700 562344513 /nfs/dbraw/zinc/34/45/13/562344513.db2.gz ITSKJQIKKLLYNF-INIZCTEOSA-N 0 3 356.470 2.072 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000528993883 562355658 /nfs/dbraw/zinc/35/56/58/562355658.db2.gz BDGGUKLGQXPNTO-YFNQRXEKSA-N 0 3 350.365 2.349 20 30 FEEDHN CC(=O)N1CC[C@@H](NC[C@@H](O)COc2ccccc2C#N)c2ccccc21 ZINC000530233607 562403215 /nfs/dbraw/zinc/40/32/15/562403215.db2.gz YNHXIEGZZKXVFA-IEBWSBKVSA-N 0 3 365.433 2.385 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000530233032 562403312 /nfs/dbraw/zinc/40/33/12/562403312.db2.gz OBGHMTSLQAWAMZ-IEBWSBKVSA-N 0 3 355.413 2.306 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NCCN3[C@H](C)CCC[C@@H]3C)CC2)o1 ZINC000530283407 562405393 /nfs/dbraw/zinc/40/53/93/562405393.db2.gz RJLWAMOSNQHUPL-GASCZTMLSA-N 0 3 373.501 2.450 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NCCN3[C@@H](C)CCC[C@@H]3C)CC2)o1 ZINC000530283411 562405419 /nfs/dbraw/zinc/40/54/19/562405419.db2.gz RJLWAMOSNQHUPL-GJZGRUSLSA-N 0 3 373.501 2.450 20 30 FEEDHN CC1CC(C#N)(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)C1 ZINC000531817471 562457663 /nfs/dbraw/zinc/45/76/63/562457663.db2.gz LNXGTAIUFVAZRL-UHFFFAOYSA-N 0 3 354.498 2.202 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000546005638 562632542 /nfs/dbraw/zinc/63/25/42/562632542.db2.gz SVMJJQDDWGKQHL-QAPCUYQASA-N 0 3 371.485 2.057 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000546005639 562632622 /nfs/dbraw/zinc/63/26/22/562632622.db2.gz SVMJJQDDWGKQHL-YJBOKZPZSA-N 0 3 371.485 2.057 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC000601730899 567820118 /nfs/dbraw/zinc/82/01/18/567820118.db2.gz YOOSHVCGIIEDNF-HXUWFJFHSA-N 0 3 374.444 2.291 20 30 FEEDHN Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)ccc1OCCN(C)C ZINC000602061721 567922727 /nfs/dbraw/zinc/92/27/27/567922727.db2.gz GSSJUKQFSQLIRH-NVXWUHKLSA-N 0 3 372.469 2.025 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCn2ccc(C(F)(F)F)n2)cc1 ZINC000602220563 567956795 /nfs/dbraw/zinc/95/67/95/567956795.db2.gz OXEKCOQGZRYHOU-CQSZACIVSA-N 0 3 361.327 2.272 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000602514919 567989763 /nfs/dbraw/zinc/98/97/63/567989763.db2.gz MUTCUPBSFRNXJX-DLBZAZTESA-N 0 3 358.486 2.495 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000602532546 567991884 /nfs/dbraw/zinc/99/18/84/567991884.db2.gz VNWZDPZYTPKRGR-GOSISDBHSA-N 0 3 370.497 2.024 20 30 FEEDHN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H](N)CCCC#N ZINC000602580642 567993657 /nfs/dbraw/zinc/99/36/57/567993657.db2.gz XZUICPGZSNAMBJ-UKRRQHHQSA-N 0 3 374.268 2.213 20 30 FEEDHN CC[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C1CCOCC1 ZINC000330271559 568065375 /nfs/dbraw/zinc/06/53/75/568065375.db2.gz WCLVECOAPFNDOM-MAUKXSAKSA-N 0 3 353.507 2.291 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000604392385 568282718 /nfs/dbraw/zinc/28/27/18/568282718.db2.gz UNCNQFWYLQCNGF-QGZVFWFLSA-N 0 3 355.482 2.095 20 30 FEEDHN C[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)N1CCC(C)CC1 ZINC000569060579 568295626 /nfs/dbraw/zinc/29/56/26/568295626.db2.gz OAKKSPMVTRECGR-FUHWJXTLSA-N 0 3 371.485 2.236 20 30 FEEDHN COc1ccc([C@H](OC)[C@H](C)NCc2cnc3c(C#N)cnn3c2)cc1 ZINC000569927966 568437691 /nfs/dbraw/zinc/43/76/91/568437691.db2.gz RZNSKVKJQQXPCE-SCLBCKFNSA-N 0 3 351.410 2.475 20 30 FEEDHN COc1cc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)ccc1C ZINC000562994236 674832583 /nfs/dbraw/zinc/83/25/83/674832583.db2.gz BAELNEHMHXYJQV-UHFFFAOYSA-N 0 3 358.463 2.481 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000815861481 674978984 /nfs/dbraw/zinc/97/89/84/674978984.db2.gz KQVOWUNCGBHRKR-UHFFFAOYSA-N 0 3 356.253 2.312 20 30 FEEDHN CNC(=O)C(C#N)C(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC000815911956 674984178 /nfs/dbraw/zinc/98/41/78/674984178.db2.gz ULCMDEZSJYOXQH-CYBMUJFWSA-N 0 3 360.801 2.152 20 30 FEEDHN CO[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000816038419 675000870 /nfs/dbraw/zinc/00/08/70/675000870.db2.gz WSACIKASKFRGLR-MCIONIFRSA-N 0 3 350.365 2.495 20 30 FEEDHN C=CCN1CCC(NC(=O)CN(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000080079289 670615503 /nfs/dbraw/zinc/61/55/03/670615503.db2.gz RHUVBFSMGLQPRY-UHFFFAOYSA-N 0 3 351.491 2.400 20 30 FEEDHN Cc1cc(C(=O)CON=C(N)C2CCOCC2)c(C)n1-c1nccs1 ZINC000112087677 670865779 /nfs/dbraw/zinc/86/57/79/670865779.db2.gz VAUTUHWOASXOFO-UHFFFAOYSA-N 0 3 362.455 2.449 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCSCC(F)(F)F)cc1 ZINC000577947812 671630307 /nfs/dbraw/zinc/63/03/07/671630307.db2.gz CSGHGVJGHHGWHP-UHFFFAOYSA-N 0 3 352.403 2.217 20 30 FEEDHN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)CN(C)CCCC)c1 ZINC000583349397 672086355 /nfs/dbraw/zinc/08/63/55/672086355.db2.gz HBWSNKIKOPXTCE-OAHLLOKOSA-N 0 3 367.515 2.001 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](O)COCC1CC1 ZINC000131576997 672089502 /nfs/dbraw/zinc/08/95/02/672089502.db2.gz MAJLNBYVEURBES-MRXNPFEDSA-N 0 3 368.271 2.338 20 30 FEEDHN C#CCOCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000152514610 672183390 /nfs/dbraw/zinc/18/33/90/672183390.db2.gz WTJQICZSHMAIPQ-UHFFFAOYSA-N 0 3 364.873 2.339 20 30 FEEDHN C=CCn1c(C)nn(CN2CCN(CCOC)[C@H](CCC)C2)c1=S ZINC000159823958 672285512 /nfs/dbraw/zinc/28/55/12/672285512.db2.gz DYODZJYYKZVCAW-MRXNPFEDSA-N 0 3 353.536 2.299 20 30 FEEDHN CC(C)(C)C(=O)Nc1nc(CC(=O)C(C#N)C(=O)N2CCCC2)cs1 ZINC000173937986 672355864 /nfs/dbraw/zinc/35/58/64/672355864.db2.gz NILSTPCHEYXVQZ-GFCCVEGCSA-N 0 3 362.455 2.001 20 30 FEEDHN CCNC(=O)CCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000173979303 672356888 /nfs/dbraw/zinc/35/68/88/672356888.db2.gz VOXABTLZVMRVIS-LLVKDONJSA-N 0 3 353.781 2.433 20 30 FEEDHN CNS(=O)(=O)Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337907 672522300 /nfs/dbraw/zinc/52/23/00/672522300.db2.gz DPDJXYVGIOAXLM-LJQANCHMSA-N 0 3 355.463 2.385 20 30 FEEDHN CCN1CCCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593459459 672926535 /nfs/dbraw/zinc/92/65/35/672926535.db2.gz ZYVPVYXESSQPQJ-UHFFFAOYSA-N 0 3 350.260 2.417 20 30 FEEDHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)c2ccccc2O1 ZINC000593563081 672944342 /nfs/dbraw/zinc/94/43/42/672944342.db2.gz QAJUJVOSPBHYGX-GFCCVEGCSA-N 0 3 363.464 2.138 20 30 FEEDHN CN(C)CCN(C(=O)Cc1ccc(Br)cc1C#N)C1CC1 ZINC000593894702 673005731 /nfs/dbraw/zinc/00/57/31/673005731.db2.gz SURXILXQQDKBEU-UHFFFAOYSA-N 0 3 350.260 2.416 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000594444685 673072950 /nfs/dbraw/zinc/07/29/50/673072950.db2.gz BKQWKZAPSKIZRT-HUUCEWRRSA-N 0 3 366.824 2.112 20 30 FEEDHN CCOC(=O)c1sc([C@H](C)NC(=O)[C@H](N)CCCCC#N)nc1C ZINC000594445789 673073125 /nfs/dbraw/zinc/07/31/25/673073125.db2.gz MCWRJZIZEHELNB-NWDGAFQWSA-N 0 3 352.460 2.217 20 30 FEEDHN COc1ccc(Cl)c(N2CCN(C(=O)[C@H](N)CCCCC#N)CC2)c1 ZINC000594453228 673074556 /nfs/dbraw/zinc/07/45/56/673074556.db2.gz NPOBWMLLUNOXQY-MRXNPFEDSA-N 0 3 364.877 2.408 20 30 FEEDHN COC(=O)CCCN1CCC(N=Nc2c(F)c(F)nc(F)c2F)CC1 ZINC000727059693 673152344 /nfs/dbraw/zinc/15/23/44/673152344.db2.gz UXBYPSODCWXARR-UHFFFAOYSA-N 0 3 362.327 2.455 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000594853979 673164535 /nfs/dbraw/zinc/16/45/35/673164535.db2.gz CCPUMWZNEWFELM-OAHLLOKOSA-N 0 3 363.483 2.252 20 30 FEEDHN N#Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1C#N ZINC000597273151 673461844 /nfs/dbraw/zinc/46/18/44/673461844.db2.gz GIIJKRRBXBFKOA-KBPBESRZSA-N 0 3 353.300 2.352 20 30 FEEDHN CN1CCN(CC2CN(C(=O)c3c(Cl)cc(C#N)cc3Cl)C2)CC1 ZINC000597695139 673500012 /nfs/dbraw/zinc/50/00/12/673500012.db2.gz QQWGETBKBKHUBE-UHFFFAOYSA-N 0 3 367.280 2.184 20 30 FEEDHN N#Cc1cccc2c1CCN2C(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000597788378 673507144 /nfs/dbraw/zinc/50/71/44/673507144.db2.gz LKSSTHOQMXMEKF-GXTWGEPZSA-N 0 3 354.328 2.431 20 30 FEEDHN C[NH+](C)CCCN(CCC#N)C(=O)c1cc([O-])cc(Br)c1 ZINC000599165098 673637867 /nfs/dbraw/zinc/63/78/67/673637867.db2.gz KYDCYGZICYQGAJ-UHFFFAOYSA-N 0 3 354.248 2.462 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1nc(C(C)C)ncc1Br ZINC000820688204 675378933 /nfs/dbraw/zinc/37/89/33/675378933.db2.gz MUSWILHNTJCHLQ-UHFFFAOYSA-N 0 3 353.264 2.047 20 30 FEEDHN C=CCSCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823936948 675577160 /nfs/dbraw/zinc/57/71/60/675577160.db2.gz ARDZWACECQEWKH-UHFFFAOYSA-N 0 3 355.471 2.276 20 30 FEEDHN C=CCSCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823936948 675577163 /nfs/dbraw/zinc/57/71/63/675577163.db2.gz ARDZWACECQEWKH-UHFFFAOYSA-N 0 3 355.471 2.276 20 30 FEEDHN C=CC1(CC(=O)N(CC)[C@H]2CCN(C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000824841788 675625168 /nfs/dbraw/zinc/62/51/68/675625168.db2.gz NQVXJRYWEVHKJA-HNNXBMFYSA-N 0 3 351.491 2.352 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)C#Cc3cccs3)cc2)CC1 ZINC000825098759 675636895 /nfs/dbraw/zinc/63/68/95/675636895.db2.gz NNFLXEBTRFEWIE-UHFFFAOYSA-N 0 3 353.491 2.163 20 30 FEEDHN OC1CCC(=NNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000761748740 680730865 /nfs/dbraw/zinc/73/08/65/680730865.db2.gz DQWURQIYDKTXHN-UHFFFAOYSA-N 0 3 360.527 2.406 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccc3c2OC(F)(F)O3)CC1 ZINC000660704480 678375855 /nfs/dbraw/zinc/37/58/55/678375855.db2.gz OJVLAJLAFLLPCK-UHFFFAOYSA-N 0 3 353.369 2.458 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672839713 679396638 /nfs/dbraw/zinc/39/66/38/679396638.db2.gz CSXFMSKNBXJQAB-OAHLLOKOSA-N 0 3 351.878 2.366 20 30 FEEDHN Cc1cc(F)c(CC(=O)C(C#N)C(=O)NCCCOC(C)C)cc1F ZINC000835057105 680291935 /nfs/dbraw/zinc/29/19/35/680291935.db2.gz LYBFHXCBLFQJSN-AWEZNQCLSA-N 0 3 352.381 2.456 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@H]1CSc2ccccc2O1 ZINC000835058155 680291964 /nfs/dbraw/zinc/29/19/64/680291964.db2.gz KKARVSSZBVLMMA-KBPBESRZSA-N 0 3 362.451 2.181 20 30 FEEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001029848762 680393735 /nfs/dbraw/zinc/39/37/35/680393735.db2.gz FPZQKOJQYYSIGX-DTDBQYNISA-N 0 3 359.495 2.468 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2snnc2C)C1 ZINC000984905639 680395066 /nfs/dbraw/zinc/39/50/66/680395066.db2.gz RZABPUXTBYDKNM-JKQORVJESA-N 0 3 364.515 2.202 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCOc1ccc(Br)cc1 ZINC000836259409 680442140 /nfs/dbraw/zinc/44/21/40/680442140.db2.gz ICZGDSDCFIHFDT-UHFFFAOYSA-N 0 3 368.275 2.082 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000836488775 680476082 /nfs/dbraw/zinc/47/60/82/680476082.db2.gz NKGBHRZUJXXPSK-MRXNPFEDSA-N 0 3 351.491 2.095 20 30 FEEDHN CC[C@@H](C(=O)N1CC[C@H]2CN(c3snc(Cl)c3C#N)C[C@H]21)N(C)C ZINC001040671398 680482452 /nfs/dbraw/zinc/48/24/52/680482452.db2.gz PTYVDJAFDYKRQS-WCFLWFBJSA-N 0 3 367.906 2.045 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)C[C@@H](C)SC)cc1OC ZINC000757407915 680523719 /nfs/dbraw/zinc/52/37/19/680523719.db2.gz DRKZCVUVCUNRIN-TZMCWYRMSA-N 0 3 364.467 2.213 20 30 FEEDHN C[C@@H]1CC(N=Nc2ccc(S(N)(=O)=O)cc2)CN1Cc1ccccc1 ZINC000757560134 680526087 /nfs/dbraw/zinc/52/60/87/680526087.db2.gz DFZTUYYLQPFXRK-CQSZACIVSA-N 0 3 358.467 2.396 20 30 FEEDHN CN1CCCC(=NNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000758095635 680555209 /nfs/dbraw/zinc/55/52/09/680555209.db2.gz XVGDWRKOFFUVAM-UHFFFAOYSA-N 0 3 360.277 2.199 20 30 FEEDHN C=C(CO)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000837216187 680569461 /nfs/dbraw/zinc/56/94/61/680569461.db2.gz SNWLDTBVLWZGAM-UHFFFAOYSA-N 0 3 363.889 2.002 20 30 FEEDHN C=CCN1CCC(NC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837399123 680597565 /nfs/dbraw/zinc/59/75/65/680597565.db2.gz BSYLPBHGHNBDMJ-UHFFFAOYSA-N 0 3 367.291 2.362 20 30 FEEDHN C[C@H](C(=O)N(C)CC(=O)C(C#N)c1nc(C2CC2)cs1)n1cccn1 ZINC000842942762 680976423 /nfs/dbraw/zinc/97/64/23/680976423.db2.gz MECZPGFPYOFPKD-YPMHNXCESA-N 0 3 357.439 2.113 20 30 FEEDHN C=CCNc1ncc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)s1 ZINC000771021123 681037011 /nfs/dbraw/zinc/03/70/11/681037011.db2.gz PFUQXLHAVZSPQN-CQSZACIVSA-N 0 3 350.488 2.114 20 30 FEEDHN Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1C#N ZINC001054473132 681110697 /nfs/dbraw/zinc/11/06/97/681110697.db2.gz HQIRKJKGOVOPEG-DJSGYFEHSA-N 0 3 361.515 2.170 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccncc2Br)CC1 ZINC000874637827 685443316 /nfs/dbraw/zinc/44/33/16/685443316.db2.gz TZGZUGCQFCVPBP-GFCCVEGCSA-N 0 3 350.260 2.367 20 30 FEEDHN CN(C)S(=O)(=O)c1ccccc1N=NC1CCCN2CCCC[C@H]12 ZINC000848410062 681536711 /nfs/dbraw/zinc/53/67/11/681536711.db2.gz IFHMFTBRUASDQG-MRXNPFEDSA-N 0 3 350.488 2.353 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000913993226 685491495 /nfs/dbraw/zinc/49/14/95/685491495.db2.gz STLYDSJXPRJIQF-IBGZPJMESA-N 0 3 359.495 2.362 20 30 FEEDHN C=CCOc1ccccc1CNS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914092543 685494202 /nfs/dbraw/zinc/49/42/02/685494202.db2.gz KWYHJPMOYOYBBF-SFHVURJKSA-N 0 3 350.484 2.157 20 30 FEEDHN CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccccc2C#N)CC1 ZINC000851745200 682117869 /nfs/dbraw/zinc/11/78/69/682117869.db2.gz CBTHAOLCOCJBOO-QGZVFWFLSA-N 0 3 367.386 2.265 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000916870941 685528430 /nfs/dbraw/zinc/52/84/30/685528430.db2.gz OOXSIJUUHLEKLK-KYHPRHEASA-N 0 3 352.475 2.325 20 30 FEEDHN CN(C)C(=O)[C@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917074158 685529472 /nfs/dbraw/zinc/52/94/72/685529472.db2.gz DSRSYOFUTXQDKR-GXTWGEPZSA-N 0 3 356.451 2.025 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852359749 682266183 /nfs/dbraw/zinc/26/61/83/682266183.db2.gz LWUSKDOJQJILJW-OAHLLOKOSA-N 0 3 358.269 2.281 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852359748 682266228 /nfs/dbraw/zinc/26/62/28/682266228.db2.gz LWUSKDOJQJILJW-HNNXBMFYSA-N 0 3 358.269 2.281 20 30 FEEDHN COC[C@@H](C#N)OC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000785225677 682281334 /nfs/dbraw/zinc/28/13/34/682281334.db2.gz QQWIANKTOBAZPC-MNOVXSKESA-N 0 3 357.193 2.428 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C[C@H]21 ZINC000972339382 682407367 /nfs/dbraw/zinc/40/73/67/682407367.db2.gz DQADDDNLUFDVPI-FVQBIDKESA-N 0 3 367.921 2.309 20 30 FEEDHN CCN1CCN([C@H](C)CNc2cc(Br)cnc2C#N)CC1 ZINC000787898116 682488526 /nfs/dbraw/zinc/48/85/26/682488526.db2.gz XIDZHLJSBYZOGK-GFCCVEGCSA-N 0 3 352.280 2.154 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788256958 682515187 /nfs/dbraw/zinc/51/51/87/682515187.db2.gz LBYPAAYLOTYMEH-HUUCEWRRSA-N 0 3 360.520 2.403 20 30 FEEDHN C#CCN1CCC[C@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792556615 682820375 /nfs/dbraw/zinc/82/03/75/682820375.db2.gz VWIKLBMKSDMMSZ-GPANFISMSA-N 0 3 357.420 2.006 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1cc(F)c(F)cc1F ZINC000793124907 682865686 /nfs/dbraw/zinc/86/56/86/682865686.db2.gz RCQQYOBTNYRRPS-LBPRGKRZSA-N 0 3 356.344 2.287 20 30 FEEDHN N#CC(C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796891269 683204601 /nfs/dbraw/zinc/20/46/01/683204601.db2.gz FIGMELBPNGEGNN-DGCLKSJQSA-N 0 3 351.309 2.355 20 30 FEEDHN C#CCOc1ccc([C@@H](C)NC[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797121463 683224090 /nfs/dbraw/zinc/22/40/90/683224090.db2.gz ZNXVCMKBDRAFFG-NVXWUHKLSA-N 0 3 350.484 2.163 20 30 FEEDHN C[C@@H]1[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN1C ZINC000928428143 683449278 /nfs/dbraw/zinc/44/92/78/683449278.db2.gz MCUROOAYVXOUMJ-RBSFLKMASA-N 0 3 352.479 2.172 20 30 FEEDHN C#CCN(C(=O)NCCc1nc2c(s1)CCCC2)C1CCN(C)CC1 ZINC000921724260 683557989 /nfs/dbraw/zinc/55/79/89/683557989.db2.gz PSMFUOOHBXGXDZ-UHFFFAOYSA-N 0 3 360.527 2.303 20 30 FEEDHN C#CCN(C(=O)C(=O)N[C@H](C)c1cc(C)sc1C)C1CCN(C)CC1 ZINC000929413953 683591834 /nfs/dbraw/zinc/59/18/34/683591834.db2.gz AMWBJHILJBCMJL-CQSZACIVSA-N 0 3 361.511 2.098 20 30 FEEDHN Cn1nccc1[C@@H]1[C@@H](NCc2csc(C#N)c2)CCC(=O)N1C1CC1 ZINC000922519775 683739754 /nfs/dbraw/zinc/73/97/54/683739754.db2.gz XEQSBFBIARSBAD-YJBOKZPZSA-N 0 3 355.467 2.338 20 30 FEEDHN C#CCOCCN1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC000931003148 683816794 /nfs/dbraw/zinc/81/67/94/683816794.db2.gz WRIJDGZWVIRBPJ-UHFFFAOYSA-N 0 3 355.360 2.091 20 30 FEEDHN C=CCNC(=O)CN[C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872058297 684917314 /nfs/dbraw/zinc/91/73/14/684917314.db2.gz QTJJKTLYADPLQQ-BBRMVZONSA-N 0 3 353.260 2.419 20 30 FEEDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)Nc2nc(Cl)c(C#N)s2)cn1 ZINC000875681763 686063576 /nfs/dbraw/zinc/06/35/76/686063576.db2.gz KDELKDYWJUYJQI-QWRGUYRKSA-N 0 3 364.862 2.076 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000876640213 686234666 /nfs/dbraw/zinc/23/46/66/686234666.db2.gz NMRRPGAQFRRCLP-OAHLLOKOSA-N 0 3 353.825 2.473 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000876657887 686238017 /nfs/dbraw/zinc/23/80/17/686238017.db2.gz VRQVUXAIGBOZKX-GXTWGEPZSA-N 0 3 356.253 2.374 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000876669206 686240300 /nfs/dbraw/zinc/24/03/00/686240300.db2.gz DQBRMYYKZQXWKL-DZGCQCFKSA-N 0 3 365.861 2.403 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000876902455 686291738 /nfs/dbraw/zinc/29/17/38/686291738.db2.gz CQKMBFUQLOTBBY-GJZGRUSLSA-N 0 3 353.894 2.098 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc2c(cc1C(=O)OC)OCCCO2 ZINC000877195134 686338309 /nfs/dbraw/zinc/33/83/09/686338309.db2.gz GJRKVUXZRYAVTN-NSHDSACASA-N 0 3 354.790 2.043 20 30 FEEDHN CC(C)(C)S(=O)(=O)N1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877475256 686384743 /nfs/dbraw/zinc/38/47/43/686384743.db2.gz FOXSGMCPXHWPSM-UHFFFAOYSA-N 0 3 370.906 2.289 20 30 FEEDHN CC1(N2CCC2)CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000882768082 687479978 /nfs/dbraw/zinc/47/99/78/687479978.db2.gz PDUSHWSKTJHANQ-UHFFFAOYSA-N 0 3 351.447 2.087 20 30 FEEDHN C[C@@H](NC(=O)Nc1ccc(Br)c(C#N)n1)C1=CCN(C)CC1 ZINC000883101684 687564802 /nfs/dbraw/zinc/56/48/02/687564802.db2.gz QNKSJZGEISEMBF-SNVBAGLBSA-N 0 3 364.247 2.488 20 30 FEEDHN C=CCC(C)(C)CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883665590 687695841 /nfs/dbraw/zinc/69/58/41/687695841.db2.gz ONRBCOWABAZUFE-UHFFFAOYSA-N 0 3 350.507 2.104 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000884134831 687797549 /nfs/dbraw/zinc/79/75/49/687797549.db2.gz SZKXDRUDTJPSJO-WOSAUXGSSA-N 0 3 368.264 2.282 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@H](O)c1cc3ccccc3s1)C2 ZINC000884140253 687798982 /nfs/dbraw/zinc/79/89/82/687798982.db2.gz NZYPYDTWBSPWKE-QXGUJMOYSA-N 0 3 355.463 2.190 20 30 FEEDHN C#CCN(C(=O)c1cn(-c2cccc(Cl)c2)nn1)C1CCN(C)CC1 ZINC000886577297 688278839 /nfs/dbraw/zinc/27/88/39/688278839.db2.gz CSGUYWVDLANWIW-UHFFFAOYSA-N 0 3 357.845 2.090 20 30 FEEDHN C#CCN(C(=O)c1ccnc(OCC(F)(F)F)c1)C1CCN(C)CC1 ZINC000886581172 688279548 /nfs/dbraw/zinc/27/95/48/688279548.db2.gz LYDAEKBRNXKSPU-UHFFFAOYSA-N 0 3 355.360 2.192 20 30 FEEDHN C#CCN(C(=O)COc1ccccc1Br)C1CCN(C)CC1 ZINC000886578863 688279697 /nfs/dbraw/zinc/27/96/97/688279697.db2.gz OSZCNJRRYOROTR-UHFFFAOYSA-N 0 3 365.271 2.384 20 30 FEEDHN C#CCN(C(=O)Cc1csc(-c2ccccn2)n1)C1CCN(C)CC1 ZINC000886587416 688280032 /nfs/dbraw/zinc/28/00/32/688280032.db2.gz VJNVYNCKKNWTNQ-UHFFFAOYSA-N 0 3 354.479 2.304 20 30 FEEDHN C=CCC1(O)CCN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000886778604 688309552 /nfs/dbraw/zinc/30/95/52/688309552.db2.gz JNWGAJWXALOKPA-CRAIPNDOSA-N 0 3 354.491 2.150 20 30 FEEDHN Cc1nc(CC(F)(F)F)sc1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000892457759 689198915 /nfs/dbraw/zinc/19/89/15/689198915.db2.gz NIHFRQZWRAVZHZ-SNVBAGLBSA-N 0 3 359.373 2.430 20 30 FEEDHN Cc1ccc(CC(=O)C(C#N)C(=O)NCCCOC(C)C)c(Cl)n1 ZINC000892464505 689199815 /nfs/dbraw/zinc/19/98/15/689199815.db2.gz FAWLJDXMIINTSM-AWEZNQCLSA-N 0 3 351.834 2.226 20 30 FEEDHN C[C@]1(Br)C[C@@H]1CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000894005541 689447590 /nfs/dbraw/zinc/44/75/90/689447590.db2.gz KSUOIQOIIVRERK-VYDXJSESSA-N 0 3 362.271 2.422 20 30 FEEDHN CSc1ccc([C@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)N(C)C)cc1 ZINC000895058198 689650358 /nfs/dbraw/zinc/65/03/58/689650358.db2.gz JNNZIEFCUQXCKA-WMZOPIPTSA-N 0 3 362.499 2.335 20 30 FEEDHN C=C(C)COc1cc(CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)ccc1OC ZINC000897611023 690048676 /nfs/dbraw/zinc/04/86/76/690048676.db2.gz ZHJFBBDWQXRRGR-ZBFHGGJFSA-N 0 3 368.499 2.007 20 30 FEEDHN C#CCOc1ccccc1CN1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000898398402 690175565 /nfs/dbraw/zinc/17/55/65/690175565.db2.gz FIJJJQGGIZLORQ-VWLOTQADSA-N 0 3 363.527 2.485 20 30 FEEDHN Cn1nc(Br)c2c1ncnc2N=NC1C[C@H]2CCCN(C1)C2 ZINC000905445837 691119483 /nfs/dbraw/zinc/11/94/83/691119483.db2.gz ZNMOXCFYOJYYLC-SECBINFHSA-N 0 3 364.251 2.009 20 30 FEEDHN COc1ccc(F)cc1CCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000905479159 691123821 /nfs/dbraw/zinc/12/38/21/691123821.db2.gz RKCUMDVCNCBDNW-UHFFFAOYSA-N 0 3 362.426 2.312 20 30 FEEDHN C=C(C)Cn1c(-c2cnsn2)nnc1N1CCN(C2CCCC2)CC1 ZINC000909312626 691806158 /nfs/dbraw/zinc/80/61/58/691806158.db2.gz ULPKGLSLABZICT-UHFFFAOYSA-N 0 3 359.503 2.437 20 30 FEEDHN N#CC1(CCCOC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)CCOCC1 ZINC000800131332 674022739 /nfs/dbraw/zinc/02/27/39/674022739.db2.gz OMXILTFTBUAPTB-NEPJUHHUSA-N 0 3 362.348 2.087 20 30 FEEDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076269258 542252851 /nfs/dbraw/zinc/25/28/51/542252851.db2.gz UMJYUWUUNDUMOA-LLVKDONJSA-N 0 3 370.375 2.362 20 30 FEEDHN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000041593355 540026096 /nfs/dbraw/zinc/02/60/96/540026096.db2.gz JUDSDCRJVCNTMX-SFHVURJKSA-N 0 3 356.470 2.369 20 30 FEEDHN CCN1CCN(CCCCNC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000046753590 540269578 /nfs/dbraw/zinc/26/95/78/540269578.db2.gz VHNSPIGMDRDVEX-UHFFFAOYSA-N 0 3 357.502 2.117 20 30 FEEDHN C=CCOc1ccc(C(=O)NC[C@@H](C)N2CCN(CC)CC2)cc1OC ZINC000046947925 540278960 /nfs/dbraw/zinc/27/89/60/540278960.db2.gz SDDZFRIJIDMNBA-MRXNPFEDSA-N 0 3 361.486 2.016 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCN1CCCC[C@@H]1C ZINC000047144131 540292692 /nfs/dbraw/zinc/29/26/92/540292692.db2.gz WURHJDIFOGEYLB-AWEZNQCLSA-N 0 3 368.485 2.141 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H](C(=O)N3CCCCC3)C2)cc1 ZINC000051557655 540437448 /nfs/dbraw/zinc/43/74/48/540437448.db2.gz YJADKINUSHOORB-OALUTQOASA-N 0 3 371.481 2.022 20 30 FEEDHN CC[NH+](CC)CCC[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000052818783 540490839 /nfs/dbraw/zinc/49/08/39/540490839.db2.gz DZWJMRCHVZXKOL-CQSZACIVSA-N 0 3 360.502 2.423 20 30 FEEDHN Cc1csc(=O)n1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054454805 540591161 /nfs/dbraw/zinc/59/11/61/540591161.db2.gz DEEDEKAAZMFXNN-UHFFFAOYSA-N 0 3 356.495 2.298 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000054851223 540614805 /nfs/dbraw/zinc/61/48/05/540614805.db2.gz GTWDOGQXHHZFMH-HNNXBMFYSA-N 0 3 372.469 2.132 20 30 FEEDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCOc1ccc(C#N)cc1 ZINC000057842865 540818974 /nfs/dbraw/zinc/81/89/74/540818974.db2.gz SAEVQENPBCVBTQ-CQSZACIVSA-N 0 3 359.451 2.277 20 30 FEEDHN Cc1ccccc1CN1CCC(NC(=O)CN2CCC(C#N)CC2)CC1 ZINC000057875355 540821111 /nfs/dbraw/zinc/82/11/11/540821111.db2.gz GUQLEFIBQLURIR-UHFFFAOYSA-N 0 3 354.498 2.311 20 30 FEEDHN Cc1nn(C)c(C)c1CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930897 541273206 /nfs/dbraw/zinc/27/32/06/541273206.db2.gz GYFYTLWQXVWIKT-UHFFFAOYSA-N 0 3 367.497 2.432 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000067763873 541509832 /nfs/dbraw/zinc/50/98/32/541509832.db2.gz HAEPODBZPDHDRR-MRXNPFEDSA-N 0 3 359.470 2.427 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2c1OCO2 ZINC000068310049 541574984 /nfs/dbraw/zinc/57/49/84/541574984.db2.gz MNXWXWDNWOFENY-UHFFFAOYSA-N 0 3 351.406 2.491 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068102570 205094628 /nfs/dbraw/zinc/09/46/28/205094628.db2.gz WCJKARHRPOWPLC-UHFFFAOYSA-N 0 3 353.382 2.064 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000055749243 205223853 /nfs/dbraw/zinc/22/38/53/205223853.db2.gz QPYZMQCWPONWBV-SOUVJXGZSA-N 0 3 372.513 2.279 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C(=O)N2CCCC2)CC1 ZINC000073507241 541960079 /nfs/dbraw/zinc/96/00/79/541960079.db2.gz VJTCLTAXXXTTDW-FQEVSTJZSA-N 0 3 372.509 2.489 20 30 FEEDHN CN(C)C(=O)C1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000074021748 542026594 /nfs/dbraw/zinc/02/65/94/542026594.db2.gz RFITVTWFWPITPU-UHFFFAOYSA-N 0 3 374.510 2.237 20 30 FEEDHN CN(C(=O)NC1CCN(CC#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074878000 542133573 /nfs/dbraw/zinc/13/35/73/542133573.db2.gz HDYDUDLYLYSYFX-HXUWFJFHSA-N 0 3 369.513 2.280 20 30 FEEDHN COCCN(C)CCCNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000075665399 542196570 /nfs/dbraw/zinc/19/65/70/542196570.db2.gz FMQMFZBSITWSDC-UHFFFAOYSA-N 0 3 362.499 2.251 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2OCC(C)C)CC1 ZINC000076512911 542288314 /nfs/dbraw/zinc/28/83/14/542288314.db2.gz MVCFECDCTAHYNY-UHFFFAOYSA-N 0 3 359.470 2.427 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000076512987 542288612 /nfs/dbraw/zinc/28/86/12/542288612.db2.gz FTYXXZWYQIRRDF-UHFFFAOYSA-N 0 3 366.259 2.154 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)CC1 ZINC000076512831 542288641 /nfs/dbraw/zinc/28/86/41/542288641.db2.gz YGEFNRSVDYVJHX-UHFFFAOYSA-N 0 3 374.460 2.131 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077541612 542395178 /nfs/dbraw/zinc/39/51/78/542395178.db2.gz PZAPNWIROFZHKB-CYBMUJFWSA-N 0 3 360.433 2.263 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1c(C)cc(C)[nH]c1=O)C(C)C ZINC000078982588 542492188 /nfs/dbraw/zinc/49/21/88/542492188.db2.gz TUDCKZIUBMTBCV-GOSISDBHSA-N 0 3 360.502 2.490 20 30 FEEDHN N#CC(C(=O)CCn1ccnn1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000802042179 674159507 /nfs/dbraw/zinc/15/95/07/674159507.db2.gz NIQZPMAEHOFYKR-GFCCVEGCSA-N 0 3 352.181 2.323 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)C(C)C ZINC000081478410 542659448 /nfs/dbraw/zinc/65/94/48/542659448.db2.gz DPBHJHZCEDMXDL-HOCLYGCPSA-N 0 3 363.424 2.394 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000090561693 542786166 /nfs/dbraw/zinc/78/61/66/542786166.db2.gz OONNNGUUYFQABL-QGZVFWFLSA-N 0 3 374.460 2.271 20 30 FEEDHN C=CCNC(=O)c1ccc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000091478644 542810066 /nfs/dbraw/zinc/81/00/66/542810066.db2.gz DTAFOZZCAOYBAJ-CALCHBBNSA-N 0 3 372.513 2.323 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000092798949 542888240 /nfs/dbraw/zinc/88/82/40/542888240.db2.gz VLSANLFWXGHJNY-SFHVURJKSA-N 0 3 356.470 2.033 20 30 FEEDHN CCN1CCN(CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000101633234 543038539 /nfs/dbraw/zinc/03/85/39/543038539.db2.gz PSUWTKRLWQRIJG-UHFFFAOYSA-N 0 3 367.415 2.201 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)C(C)C ZINC000101684427 543041195 /nfs/dbraw/zinc/04/11/95/543041195.db2.gz RZQMDAXXRILORS-SFHVURJKSA-N 0 3 354.458 2.091 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(CSCC(=O)OC)c2)CC1 ZINC000103051460 543089888 /nfs/dbraw/zinc/08/98/88/543089888.db2.gz RUVKFQPTRDZMKD-UHFFFAOYSA-N 0 3 360.479 2.377 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000103466753 543108932 /nfs/dbraw/zinc/10/89/32/543108932.db2.gz GGKXIGJXVBWTST-INIZCTEOSA-N 0 3 364.453 2.304 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1 ZINC000106034778 543186045 /nfs/dbraw/zinc/18/60/45/543186045.db2.gz DLNIREIIRAIYSW-KRWDZBQOSA-N 0 3 359.470 2.431 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000106040615 543186763 /nfs/dbraw/zinc/18/67/63/543186763.db2.gz VWZGJCDXMAPAGJ-UHFFFAOYSA-N 0 3 369.465 2.220 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCCN(C)CC(F)(F)F)CC1 ZINC000106264522 543221824 /nfs/dbraw/zinc/22/18/24/543221824.db2.gz BUFJDNBSLNSOQV-UHFFFAOYSA-N 0 3 350.429 2.210 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCCC(=O)NC)cc2)CC1 ZINC000106326331 543222972 /nfs/dbraw/zinc/22/29/72/543222972.db2.gz BUYVOLLAKBJLIG-UHFFFAOYSA-N 0 3 374.485 2.364 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000106349339 543224537 /nfs/dbraw/zinc/22/45/37/543224537.db2.gz HRHNEVQXNFJKOY-UHFFFAOYSA-N 0 3 367.396 2.383 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(C4CCCC4)C3)cc2C1=O ZINC000106789966 543247433 /nfs/dbraw/zinc/24/74/33/543247433.db2.gz MBTSAXKPKXJKOO-OAHLLOKOSA-N 0 3 367.449 2.215 20 30 FEEDHN CN(C)[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000111248575 543388904 /nfs/dbraw/zinc/38/89/04/543388904.db2.gz QAHJTSAITFGOAQ-KRWDZBQOSA-N 0 3 367.415 2.199 20 30 FEEDHN COc1cc(/C=C/C(=O)N(C)C[C@H]2CCCN(C)C2)ccc1OCC#N ZINC000115443945 543568519 /nfs/dbraw/zinc/56/85/19/543568519.db2.gz FPRVZCMORPRCLE-LKUPDRCFSA-N 0 3 357.454 2.411 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000118126565 543647771 /nfs/dbraw/zinc/64/77/71/543647771.db2.gz GFCOQHUYXLEWMP-QGZVFWFLSA-N 0 3 372.469 2.298 20 30 FEEDHN CC(C)N1CCN(c2cccc(NC(=O)C3(C#N)CCOCC3)c2)CC1 ZINC000118946986 543661356 /nfs/dbraw/zinc/66/13/56/543661356.db2.gz NZUZGIKIRHOZMH-UHFFFAOYSA-N 0 3 356.470 2.476 20 30 FEEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000119486199 543668778 /nfs/dbraw/zinc/66/87/78/543668778.db2.gz KOZPKMUYQKFRIN-MOPGFXCFSA-N 0 3 374.481 2.010 20 30 FEEDHN C#CCOc1ccc(CN2CCC(NC(=O)C3CCOCC3)CC2)cc1 ZINC000120090699 543675308 /nfs/dbraw/zinc/67/53/08/543675308.db2.gz BYHQPYSHOTYDKS-UHFFFAOYSA-N 0 3 356.466 2.206 20 30 FEEDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000124158796 543803698 /nfs/dbraw/zinc/80/36/98/543803698.db2.gz PMYWTDYIEHGNRX-UHFFFAOYSA-N 0 3 360.483 2.185 20 30 FEEDHN CCc1nnc(N2CCCC[C@H](N3CCN(C)CC3)C2)c(C#N)c1CC ZINC000127021072 543968444 /nfs/dbraw/zinc/96/84/44/543968444.db2.gz MOAUTLOVBKBASA-INIZCTEOSA-N 0 3 356.518 2.079 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CCCC[C@H]2C(N)=O)c1C ZINC000130700192 544161247 /nfs/dbraw/zinc/16/12/47/544161247.db2.gz UOPHOEYOGVJCGJ-SJORKVTESA-N 0 3 356.470 2.184 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000133924219 544288077 /nfs/dbraw/zinc/28/80/77/544288077.db2.gz UZRUMRRWKMUXTC-MRXNPFEDSA-N 0 3 372.469 2.084 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC2(CCOCC2)C1)C(C)C ZINC000133052128 544253792 /nfs/dbraw/zinc/25/37/92/544253792.db2.gz DMYMZZCQYLNVTO-SFHVURJKSA-N 0 3 365.518 2.276 20 30 FEEDHN C=C(C)COCCNC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000135023960 544331527 /nfs/dbraw/zinc/33/15/27/544331527.db2.gz HCYHNWQORWWAQI-UHFFFAOYSA-N 0 3 374.529 2.216 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000150929235 544487464 /nfs/dbraw/zinc/48/74/64/544487464.db2.gz VLSIBPCAMXRJJF-AEFFLSMTSA-N 0 3 353.532 2.381 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000151986531 544603081 /nfs/dbraw/zinc/60/30/81/544603081.db2.gz FRYDOMOXVMVAMR-INIZCTEOSA-N 0 3 351.447 2.336 20 30 FEEDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000152679406 544682765 /nfs/dbraw/zinc/68/27/65/544682765.db2.gz DCRCHHAGFUMRPE-OAQYLSRUSA-N 0 3 367.449 2.180 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(-c3ncco3)c2)CC1 ZINC000153061607 544729258 /nfs/dbraw/zinc/72/92/58/544729258.db2.gz VDHDQIUMOYASME-UHFFFAOYSA-N 0 3 368.437 2.437 20 30 FEEDHN CC[C@H](CO)N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000154061514 544859933 /nfs/dbraw/zinc/85/99/33/544859933.db2.gz FGFNMAWZXYXEQY-MRXNPFEDSA-N 0 3 356.388 2.325 20 30 FEEDHN COCCN1CC[C@H](Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000553058862 674235926 /nfs/dbraw/zinc/23/59/26/674235926.db2.gz RSDWXOASQRCSDG-NSHDSACASA-N 0 3 350.344 2.078 20 30 FEEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000553661340 674277859 /nfs/dbraw/zinc/27/78/59/674277859.db2.gz UNWQDZXEHNBDKP-AEFFLSMTSA-N 0 3 364.467 2.043 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183173171 327805547 /nfs/dbraw/zinc/80/55/47/327805547.db2.gz DPUJPYGLHZUDDN-CQSZACIVSA-N 0 3 358.486 2.177 20 30 FEEDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2cccc(C)c2C#N)o1 ZINC000189366746 328143707 /nfs/dbraw/zinc/14/37/07/328143707.db2.gz QGURRSDAVGPWTI-UHFFFAOYSA-N 0 3 368.437 2.297 20 30 FEEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C1CCCCC1 ZINC000135814662 326647734 /nfs/dbraw/zinc/64/77/34/326647734.db2.gz ABAIXKMPTUFQCM-QGZVFWFLSA-N 0 3 360.433 2.263 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000162320283 327022503 /nfs/dbraw/zinc/02/25/03/327022503.db2.gz HCTMXLMFOSUBBH-OAHLLOKOSA-N 0 3 351.447 2.134 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCCN(CC3CCCCC3)CC2)cn1 ZINC000171069672 327115455 /nfs/dbraw/zinc/11/54/55/327115455.db2.gz LJWBAIUUYJKSLX-UHFFFAOYSA-N 0 3 362.499 2.230 20 30 FEEDHN Cc1oc(NC(=O)[C@H](C)N2CCC(N3CCO[C@H](C)C3)CC2)c(C#N)c1C ZINC000171750012 327158875 /nfs/dbraw/zinc/15/88/75/327158875.db2.gz VGYVLUZKIZCVOE-HIFRSBDPSA-N 0 3 374.485 2.280 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000171787385 327161408 /nfs/dbraw/zinc/16/14/08/327161408.db2.gz QUAITRHLEWPEIE-MRXNPFEDSA-N 0 3 364.449 2.442 20 30 FEEDHN CN(CCC(=O)Nc1cccc(C#N)c1)C[C@@H](O)COCc1ccccc1 ZINC000172252683 327190641 /nfs/dbraw/zinc/19/06/41/327190641.db2.gz NINDLLLECGYNPA-HXUWFJFHSA-N 0 3 367.449 2.396 20 30 FEEDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000173999384 327300696 /nfs/dbraw/zinc/30/06/96/327300696.db2.gz VGOQBSACTMURKO-CYBMUJFWSA-N 0 3 374.422 2.096 20 30 FEEDHN COc1ccc([C@H](CNCc2ccc(C#N)o2)N2CCOCC2)cc1OC ZINC000174246996 327315359 /nfs/dbraw/zinc/31/53/59/327315359.db2.gz PWTNJSBOMQMCCY-SFHVURJKSA-N 0 3 371.437 2.332 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249226023 328761610 /nfs/dbraw/zinc/76/16/10/328761610.db2.gz UWRAFTXDIKWLAZ-OTWHNJEPSA-N 0 3 356.470 2.199 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2sccc2C#N)C[C@@H]1N1CCCC1 ZINC000274046067 329910866 /nfs/dbraw/zinc/91/08/66/329910866.db2.gz NQMHUBFUEHUQGG-KBPBESRZSA-N 0 3 350.513 2.070 20 30 FEEDHN COCCN(CCCN1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000288698014 330185591 /nfs/dbraw/zinc/18/55/91/330185591.db2.gz UKJMBKZDSGHQRK-UHFFFAOYSA-N 0 3 365.499 2.071 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cc1C#N ZINC000297125673 330194289 /nfs/dbraw/zinc/19/42/89/330194289.db2.gz PIYVFCNHWICTTQ-QGZVFWFLSA-N 0 3 360.458 2.314 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000367265177 330238084 /nfs/dbraw/zinc/23/80/84/330238084.db2.gz SYKRWFNQEGCZQN-SWLSCSKDSA-N 0 3 360.845 2.235 20 30 FEEDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)C1 ZINC000555405114 674359364 /nfs/dbraw/zinc/35/93/64/674359364.db2.gz FUWAGWYLKSVHTR-MRXNPFEDSA-N 0 3 353.875 2.318 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)C2)n1 ZINC000155494726 545533124 /nfs/dbraw/zinc/53/31/24/545533124.db2.gz JFMZRHKKIAQTFV-ZYSHUDEJSA-N 0 3 369.513 2.323 20 30 FEEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1)[C@@H]1CCCN(C)C1 ZINC000155511320 545535528 /nfs/dbraw/zinc/53/55/28/545535528.db2.gz QOYVRYGKOACKJJ-QGZVFWFLSA-N 0 3 365.437 2.305 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)CNc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000156704561 545648758 /nfs/dbraw/zinc/64/87/58/545648758.db2.gz OHZLXVHZPQVMKI-CALCHBBNSA-N 0 3 370.497 2.318 20 30 FEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@@H]1CCCN1c1cccnn1 ZINC000157932034 545802203 /nfs/dbraw/zinc/80/22/03/545802203.db2.gz CIQTUOYLKDCCPN-KRWDZBQOSA-N 0 3 367.453 2.336 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)N3CCC[C@H](C)C3)cc2C1=O ZINC000478528570 561168881 /nfs/dbraw/zinc/16/88/81/561168881.db2.gz JXIAHUZXQVKZCO-LSDHHAIUSA-N 0 3 369.465 2.319 20 30 FEEDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)N(C)CCC#N)CCN1Cc1ccccc1 ZINC000160003328 545999822 /nfs/dbraw/zinc/99/98/22/545999822.db2.gz SAVRIAWBNAVQCG-SJLPKXTDSA-N 0 3 364.515 2.062 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000161264499 546115023 /nfs/dbraw/zinc/11/50/23/546115023.db2.gz DSZJTEOOTSJWRA-KRWDZBQOSA-N 0 3 372.469 2.275 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000171715381 546220256 /nfs/dbraw/zinc/22/02/56/546220256.db2.gz BWMGZDLTOHFQKL-KRWDZBQOSA-N 0 3 356.514 2.383 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)CC1 ZINC000171726520 546221704 /nfs/dbraw/zinc/22/17/04/546221704.db2.gz MTSSXTDKRCIKIZ-KRWDZBQOSA-N 0 3 355.482 2.369 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000171737544 546223174 /nfs/dbraw/zinc/22/31/74/546223174.db2.gz PDEROAHBZYHJDG-UHFFFAOYSA-N 0 3 370.453 2.108 20 30 FEEDHN C#CCOc1ccc(F)cc1NC(=O)NC1CCN(CCCOC)CC1 ZINC000173788901 546286369 /nfs/dbraw/zinc/28/63/69/546286369.db2.gz LQSVXZATTOAVMZ-UHFFFAOYSA-N 0 3 363.433 2.460 20 30 FEEDHN Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000174044970 546290061 /nfs/dbraw/zinc/29/00/61/546290061.db2.gz GNACSSNORDVIMV-WMLDXEAASA-N 0 3 353.426 2.087 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000176598843 546466045 /nfs/dbraw/zinc/46/60/45/546466045.db2.gz MKAIWNYZKGHIEA-OAHLLOKOSA-N 0 3 363.893 2.263 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc2nccn12 ZINC000480479845 561210245 /nfs/dbraw/zinc/21/02/45/561210245.db2.gz GJQVSBYLUDLABW-UHFFFAOYSA-N 0 3 367.478 2.400 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@@H](C)C1 ZINC000176837341 546495223 /nfs/dbraw/zinc/49/52/23/546495223.db2.gz OYUGQTIYALVJKN-YJBOKZPZSA-N 0 3 373.476 2.258 20 30 FEEDHN C=CCN(CCC(=O)NC(=O)NCC(F)(F)F)Cc1cccc(C#N)c1 ZINC000177026013 546527031 /nfs/dbraw/zinc/52/70/31/546527031.db2.gz NTZKTJQTDAHKQI-UHFFFAOYSA-N 0 3 368.359 2.324 20 30 FEEDHN C[C@H]1CN(CCC2CCN(C(=O)C3(C#N)CCOCC3)CC2)C[C@H](C)O1 ZINC000178240036 546762350 /nfs/dbraw/zinc/76/23/50/546762350.db2.gz MXIFZDRNKCAOBH-IRXDYDNUSA-N 0 3 363.502 2.045 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000178471762 546799494 /nfs/dbraw/zinc/79/94/94/546799494.db2.gz VNJRMSQZEPKKFW-QGZVFWFLSA-N 0 3 354.454 2.282 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000178919165 546873249 /nfs/dbraw/zinc/87/32/49/546873249.db2.gz AHMXIKBTYASJLV-PMACEKPBSA-N 0 3 373.497 2.171 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000179033348 546889723 /nfs/dbraw/zinc/88/97/23/546889723.db2.gz GLSWPRDRWITFSF-MAUKXSAKSA-N 0 3 365.424 2.433 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000179138759 546904295 /nfs/dbraw/zinc/90/42/95/546904295.db2.gz LDWBZGIVDGRRNG-OAHLLOKOSA-N 0 3 354.458 2.278 20 30 FEEDHN CC[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)OCCO2 ZINC000180646636 547149526 /nfs/dbraw/zinc/14/95/26/547149526.db2.gz AAFXCDNCQAKNEU-MRXNPFEDSA-N 0 3 356.426 2.154 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@](N)(c2ccccc2OC)C(F)(F)F)CC1 ZINC000483072227 561266444 /nfs/dbraw/zinc/26/64/44/561266444.db2.gz FYZRFKVWQFMDAX-QGZVFWFLSA-N 0 3 371.403 2.178 20 30 FEEDHN C[C@H]1OCC[C@@H]1N(CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000483315590 561273978 /nfs/dbraw/zinc/27/39/78/561273978.db2.gz OYDAWPSSFYRJCP-WBMJQRKESA-N 0 3 351.834 2.012 20 30 FEEDHN CCc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc(=O)[nH]1 ZINC000181521101 547328132 /nfs/dbraw/zinc/32/81/32/547328132.db2.gz BTPBGKGXGBGVCS-UHFFFAOYSA-N 0 3 352.438 2.013 20 30 FEEDHN CS[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)C[C@@H]1N1CCCC1 ZINC000483390718 561275487 /nfs/dbraw/zinc/27/54/87/561275487.db2.gz CTYBZYGDWZQPKM-KBPBESRZSA-N 0 3 350.875 2.258 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000181751905 547374606 /nfs/dbraw/zinc/37/46/06/547374606.db2.gz NEABUQJVIHWYFQ-HOTGVXAUSA-N 0 3 372.469 2.153 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC(C)(C)O2)cc1 ZINC000483597020 561280489 /nfs/dbraw/zinc/28/04/89/561280489.db2.gz YLGBHXFTADBEAI-TZMCWYRMSA-N 0 3 365.455 2.451 20 30 FEEDHN CNS(=O)(=O)c1cccc([C@H](C)NCCOc2cccc(C#N)c2)c1 ZINC000181944277 547411347 /nfs/dbraw/zinc/41/13/47/547411347.db2.gz ZVUDABGCBQPGHU-AWEZNQCLSA-N 0 3 359.451 2.196 20 30 FEEDHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000183360272 547644170 /nfs/dbraw/zinc/64/41/70/547644170.db2.gz LMEUSLPWFAXOND-LJQANCHMSA-N 0 3 357.502 2.310 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)c(Cl)c1 ZINC000183510685 547673664 /nfs/dbraw/zinc/67/36/64/547673664.db2.gz HVFKMVYCKZOWHK-UHFFFAOYSA-N 0 3 353.875 2.461 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 ZINC000183677327 547700545 /nfs/dbraw/zinc/70/05/45/547700545.db2.gz LDFVKFMUSRXMAB-HNNXBMFYSA-N 0 3 359.445 2.254 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)NCCN1CCC(C)CC1 ZINC000184620250 547855696 /nfs/dbraw/zinc/85/56/96/547855696.db2.gz MGENSHZCPYZQNO-UHFFFAOYSA-N 0 3 360.458 2.437 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCc2nn(C)c3ccccc23)CC1 ZINC000187837423 548265768 /nfs/dbraw/zinc/26/57/68/548265768.db2.gz DHYDNYJKCKAGGQ-UHFFFAOYSA-N 0 3 355.486 2.456 20 30 FEEDHN C=CC[C@@H](C(=O)N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 ZINC000189138365 548296530 /nfs/dbraw/zinc/29/65/30/548296530.db2.gz ZDQGLCRXJPZVHD-LJQANCHMSA-N 0 3 357.498 2.359 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)cc(C)n1)C(C)C ZINC000192936355 548376708 /nfs/dbraw/zinc/37/67/08/548376708.db2.gz RJCCNZGYUROROT-QGZVFWFLSA-N 0 3 358.486 2.452 20 30 FEEDHN C[C@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000486623506 561352709 /nfs/dbraw/zinc/35/27/09/561352709.db2.gz LXCOOYZCOOGIIE-HRAATJIYSA-N 0 3 363.461 2.197 20 30 FEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000236655768 548771312 /nfs/dbraw/zinc/77/13/12/548771312.db2.gz AOLVSCDLOFUWMY-GOSISDBHSA-N 0 3 357.454 2.208 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](O)CSC ZINC000488324727 561387868 /nfs/dbraw/zinc/38/78/68/561387868.db2.gz VNAYCYVZVYQXIB-AWEZNQCLSA-N 0 3 356.561 2.309 20 30 FEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000488174308 561385129 /nfs/dbraw/zinc/38/51/29/561385129.db2.gz GADKPIVOKAQVRF-MRXNPFEDSA-N 0 3 358.486 2.275 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C(=O)OC)[C@@H]2C(C)C)CC1 ZINC000488793351 561397265 /nfs/dbraw/zinc/39/72/65/561397265.db2.gz IDBWIPNNMXLJMQ-IRXDYDNUSA-N 0 3 351.491 2.256 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246710044 549193457 /nfs/dbraw/zinc/19/34/57/549193457.db2.gz UJIPVKPRZAWFKN-SUMWQHHRSA-N 0 3 363.458 2.335 20 30 FEEDHN C=CCCCS(=O)(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000489129130 561404109 /nfs/dbraw/zinc/40/41/09/561404109.db2.gz HVXUXIXEGPBRHM-UHFFFAOYSA-N 0 3 365.543 2.210 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000248648995 549476459 /nfs/dbraw/zinc/47/64/59/549476459.db2.gz RDOHXQCJJTXCKS-CVEARBPZSA-N 0 3 363.483 2.203 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)N3CCC[C@@H](C)C3)CC2)o1 ZINC000248895385 549523498 /nfs/dbraw/zinc/52/34/98/549523498.db2.gz JOEASFQFWUNKHS-CABCVRRESA-N 0 3 373.501 2.308 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261723066 549748159 /nfs/dbraw/zinc/74/81/59/549748159.db2.gz LHPKZIONPPGTRY-RBUKOAKNSA-N 0 3 364.449 2.162 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)N(C)C ZINC000264486476 549996413 /nfs/dbraw/zinc/99/64/13/549996413.db2.gz AEPYJJBSTQHMFI-ZDUSSCGKSA-N 0 3 362.499 2.333 20 30 FEEDHN C[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000266456241 550020470 /nfs/dbraw/zinc/02/04/70/550020470.db2.gz LAOUSOPCIGCCKD-RDTXWAMCSA-N 0 3 353.426 2.169 20 30 FEEDHN COc1cc(C#N)ccc1OCCON=C(N)c1ccc(CN(C)C)cc1 ZINC000267019194 550026374 /nfs/dbraw/zinc/02/63/74/550026374.db2.gz PWVJFUKGZGLHRS-UHFFFAOYSA-N 0 3 368.437 2.344 20 30 FEEDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000269103173 550154857 /nfs/dbraw/zinc/15/48/57/550154857.db2.gz AKVBBIBNBCDSBW-BBRMVZONSA-N 0 3 353.875 2.316 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000270852716 550313892 /nfs/dbraw/zinc/31/38/92/550313892.db2.gz MCJOXIJFUFOJTF-CTNGQTDRSA-N 0 3 363.461 2.480 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O ZINC000494411536 561469153 /nfs/dbraw/zinc/46/91/53/561469153.db2.gz BVMKSDAMIVYFQF-SJORKVTESA-N 0 3 362.518 2.108 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272672094 550464156 /nfs/dbraw/zinc/46/41/56/550464156.db2.gz JFYWASIIKVXNQM-HNNXBMFYSA-N 0 3 357.454 2.492 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000273149981 550487512 /nfs/dbraw/zinc/48/75/12/550487512.db2.gz HPHLBRXGHPLLLC-AWEZNQCLSA-N 0 3 358.442 2.355 20 30 FEEDHN C=CCN1CCC(NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000273181789 550488846 /nfs/dbraw/zinc/48/88/46/550488846.db2.gz KANVMUNGCVPVJE-UHFFFAOYSA-N 0 3 354.410 2.186 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H](C)[C@@H](C)CO)c1C#N ZINC000273951462 550516983 /nfs/dbraw/zinc/51/69/83/550516983.db2.gz FMWLIFHUQLFJRC-JSGCOSHPSA-N 0 3 358.442 2.163 20 30 FEEDHN CCN(CCO)CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000274400577 550536002 /nfs/dbraw/zinc/53/60/02/550536002.db2.gz MOUCPCUBNCQSKN-UHFFFAOYSA-N 0 3 373.482 2.041 20 30 FEEDHN CS[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000275102439 550570580 /nfs/dbraw/zinc/57/05/80/550570580.db2.gz QVLWLCNKXQHWGQ-OALUTQOASA-N 0 3 372.538 2.445 20 30 FEEDHN C=CCN(C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)C1CC1 ZINC000276040207 550576225 /nfs/dbraw/zinc/57/62/25/550576225.db2.gz JGLXVFZFZGKJQQ-UHFFFAOYSA-N 0 3 370.497 2.252 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN(C)CCOCCOCC)c(OC)c1 ZINC000276310892 550577895 /nfs/dbraw/zinc/57/78/95/550577895.db2.gz XFBFLOASWWTQNO-GOSISDBHSA-N 0 3 367.486 2.148 20 30 FEEDHN C[C@H](NS(=O)(=O)c1cccnc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000277006725 550621110 /nfs/dbraw/zinc/62/11/10/550621110.db2.gz INFYJVBFTMDBBO-RDJZCZTQSA-N 0 3 370.478 2.142 20 30 FEEDHN C=C(C)CN1CCC(Nc2ncccc2S(=O)(=O)NC(C)C)CC1 ZINC000277564836 550685285 /nfs/dbraw/zinc/68/52/85/550685285.db2.gz ASFMNZRTXZFEOB-UHFFFAOYSA-N 0 3 352.504 2.221 20 30 FEEDHN C[C@H]1CN(CCCNC(=O)NC2(c3cccc(C#N)c3)CC2)CCCO1 ZINC000277865380 550723035 /nfs/dbraw/zinc/72/30/35/550723035.db2.gz ZOBPJUGHSXOJPM-INIZCTEOSA-N 0 3 356.470 2.347 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000278374694 550778827 /nfs/dbraw/zinc/77/88/27/550778827.db2.gz CEGFBWIVLKVQIZ-UHFFFAOYSA-N 0 3 354.458 2.107 20 30 FEEDHN Cc1oc(NC(=O)[C@@H](C)N2CCN(C3CCOCC3)C[C@H]2C)c(C#N)c1C ZINC000278616147 550804534 /nfs/dbraw/zinc/80/45/34/550804534.db2.gz JLYWHUGCOXTHCV-UKRRQHHQSA-N 0 3 374.485 2.280 20 30 FEEDHN CC(C)C(=O)NC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279442711 550890816 /nfs/dbraw/zinc/89/08/16/550890816.db2.gz YSSDBYOUEHBYKQ-KRWDZBQOSA-N 0 3 352.438 2.004 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(N3CCCCC3=O)CC2)cc1 ZINC000280084242 550959305 /nfs/dbraw/zinc/95/93/05/550959305.db2.gz OAOQKBCNZPCDEQ-SFHVURJKSA-N 0 3 364.449 2.244 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000280897293 551043629 /nfs/dbraw/zinc/04/36/29/551043629.db2.gz FUGVACIYOHUASO-MOPGFXCFSA-N 0 3 357.498 2.366 20 30 FEEDHN C[C@H]1OCC[C@]12CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000281349264 551087035 /nfs/dbraw/zinc/08/70/35/551087035.db2.gz XOXLLFUIOUYWHQ-OHRYMORCSA-N 0 3 353.422 2.035 20 30 FEEDHN Cn1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C(F)(F)F)n1 ZINC000281489278 551103970 /nfs/dbraw/zinc/10/39/70/551103970.db2.gz HOJBYALVDBHWIY-ZDUSSCGKSA-N 0 3 361.327 2.309 20 30 FEEDHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281729838 551136304 /nfs/dbraw/zinc/13/63/04/551136304.db2.gz XGJQKYUPHGAJSE-IBGZPJMESA-N 0 3 368.481 2.057 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)cc1C#N ZINC000281894461 551154582 /nfs/dbraw/zinc/15/45/82/551154582.db2.gz RGMKRDNBUVIYBD-UHFFFAOYSA-N 0 3 373.501 2.493 20 30 FEEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000282075052 551177010 /nfs/dbraw/zinc/17/70/10/551177010.db2.gz QZGQHXBMSKJTOS-UHFFFAOYSA-N 0 3 356.470 2.441 20 30 FEEDHN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000282141822 551185862 /nfs/dbraw/zinc/18/58/62/551185862.db2.gz BMHXBHKAIOHTGV-GOSISDBHSA-N 0 3 369.517 2.390 20 30 FEEDHN C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000282265731 551203569 /nfs/dbraw/zinc/20/35/69/551203569.db2.gz LVBZJYBPDQPIQV-INIZCTEOSA-N 0 3 357.458 2.191 20 30 FEEDHN C[C@@](C#N)(NC(=O)CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1)C1CC1 ZINC000282722814 551263574 /nfs/dbraw/zinc/26/35/74/551263574.db2.gz MCCIKMAYKRHWMZ-RBUKOAKNSA-N 0 3 361.873 2.440 20 30 FEEDHN C[C@@](C#N)(NC(=O)CN[C@]1(Cc2ccc(Cl)cc2)CCOC1)C1CC1 ZINC000282722812 551263661 /nfs/dbraw/zinc/26/36/61/551263661.db2.gz MCCIKMAYKRHWMZ-OALUTQOASA-N 0 3 361.873 2.440 20 30 FEEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000283570823 551389740 /nfs/dbraw/zinc/38/97/40/551389740.db2.gz JLKMLGAFEQVVDP-INIZCTEOSA-N 0 3 356.474 2.008 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000283990844 551463513 /nfs/dbraw/zinc/46/35/13/551463513.db2.gz JHJGEHDEJXXVJV-KRWDZBQOSA-N 0 3 370.497 2.143 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC000284042510 551473692 /nfs/dbraw/zinc/47/36/92/551473692.db2.gz MDUCHUDQUNNQFH-QGZVFWFLSA-N 0 3 373.497 2.035 20 30 FEEDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N ZINC000284288649 551515804 /nfs/dbraw/zinc/51/58/04/551515804.db2.gz NTUSEFOYVFMSCK-ZLIFDBKOSA-N 0 3 350.413 2.060 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCCCCOc2ccc(C)cc2)CC1 ZINC000284371238 551534863 /nfs/dbraw/zinc/53/48/63/551534863.db2.gz GYGQBCWBVRESML-UHFFFAOYSA-N 0 3 373.497 2.037 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000284900338 551662306 /nfs/dbraw/zinc/66/23/06/551662306.db2.gz SZAIPFKBNIHKBZ-GVZBARQTSA-N 0 3 357.454 2.137 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000498886819 561536850 /nfs/dbraw/zinc/53/68/50/561536850.db2.gz CTVVNHRTFGAWOU-NSHDSACASA-N 0 3 357.426 2.187 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286065182 551844715 /nfs/dbraw/zinc/84/47/15/551844715.db2.gz RRLKXAPTYZSBBD-HSALFYBXSA-N 0 3 366.465 2.147 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000286492214 551892360 /nfs/dbraw/zinc/89/23/60/551892360.db2.gz JWOPELRADPBMIE-IBGZPJMESA-N 0 3 371.481 2.125 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(OC)c2)CC1 ZINC000286505293 551894018 /nfs/dbraw/zinc/89/40/18/551894018.db2.gz KNLWIBSBUUMHME-LJQANCHMSA-N 0 3 371.481 2.125 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](CC)c2nc(C)cs2)CC1 ZINC000286813057 551928716 /nfs/dbraw/zinc/92/87/16/551928716.db2.gz VTKGPYYQFGCJNI-OAHLLOKOSA-N 0 3 364.515 2.176 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(CC(C)(C)O)C2CC2)cc1 ZINC000286947824 551943790 /nfs/dbraw/zinc/94/37/90/551943790.db2.gz ADABGWXZFVZPMU-GFCCVEGCSA-N 0 3 365.455 2.140 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(CCO)CCCC2)cc1 ZINC000286995187 551949445 /nfs/dbraw/zinc/94/94/45/551949445.db2.gz CSXRPCXTXXRKPB-ZDUSSCGKSA-N 0 3 365.455 2.189 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCSC2)cc1 ZINC000287330935 551990576 /nfs/dbraw/zinc/99/05/76/551990576.db2.gz OSMUPHUEWUXMPG-WCQYABFASA-N 0 3 353.469 2.389 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288190069 552107290 /nfs/dbraw/zinc/10/72/90/552107290.db2.gz OVFBIKTWIXLMLO-ZBFHGGJFSA-N 0 3 371.485 2.138 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288208976 552111179 /nfs/dbraw/zinc/11/11/79/552111179.db2.gz SZFDTCNCLNTSLC-ZBFHGGJFSA-N 0 3 371.485 2.138 20 30 FEEDHN C=C[C@H](CO)NCc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000289725776 552368362 /nfs/dbraw/zinc/36/83/62/552368362.db2.gz FXPODSUCPXNXMS-QGZVFWFLSA-N 0 3 362.470 2.113 20 30 FEEDHN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000289852116 552389356 /nfs/dbraw/zinc/38/93/56/552389356.db2.gz VBNKVLXBCXRKFA-QGZVFWFLSA-N 0 3 355.482 2.358 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)N(C)Cc1ccccc1 ZINC000290232817 552446103 /nfs/dbraw/zinc/44/61/03/552446103.db2.gz LCAVDJPEFVACKK-AWEZNQCLSA-N 0 3 368.412 2.273 20 30 FEEDHN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500928957 561585851 /nfs/dbraw/zinc/58/58/51/561585851.db2.gz HLRSHQIHQHVDPW-OKILXGFUSA-N 0 3 353.463 2.380 20 30 FEEDHN COCCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000291106697 552587386 /nfs/dbraw/zinc/58/73/86/552587386.db2.gz GDKKIQMQKMKWGR-MRXNPFEDSA-N 0 3 359.470 2.285 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cn(C)nc1C1CC1)C(C)C ZINC000291352907 552617842 /nfs/dbraw/zinc/61/78/42/552617842.db2.gz PXOMIJFWNOIIFD-KRWDZBQOSA-N 0 3 373.501 2.051 20 30 FEEDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)C1 ZINC000291622345 552644562 /nfs/dbraw/zinc/64/45/62/552644562.db2.gz CKNVLFTZPGIEHG-HNNXBMFYSA-N 0 3 373.400 2.293 20 30 FEEDHN COc1cc(C#N)ccc1OCCN[C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000292039678 552687305 /nfs/dbraw/zinc/68/73/05/552687305.db2.gz AJIJBDFGNZPVCH-IFXJQAMLSA-N 0 3 353.422 2.193 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(CCC(=O)N3CCc4ccccc43)C2)nc1 ZINC000292292596 552712960 /nfs/dbraw/zinc/71/29/60/552712960.db2.gz UIWYTEMPGJNYCM-SFHVURJKSA-N 0 3 362.433 2.386 20 30 FEEDHN CN1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)C2)C1 ZINC000293377061 552817281 /nfs/dbraw/zinc/81/72/81/552817281.db2.gz NFSSIVPKZCYFHO-GOSISDBHSA-N 0 3 360.845 2.094 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000293989872 552873332 /nfs/dbraw/zinc/87/33/32/552873332.db2.gz NUOWZOOXIQETOP-GOSISDBHSA-N 0 3 370.497 2.310 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000294042253 552877485 /nfs/dbraw/zinc/87/74/85/552877485.db2.gz SNXLRHAYHGEJFJ-UHFFFAOYSA-N 0 3 354.204 2.042 20 30 FEEDHN CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000295033497 552952853 /nfs/dbraw/zinc/95/28/53/552952853.db2.gz OTLAOTALUJYKBR-UHFFFAOYSA-N 0 3 357.458 2.006 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)N(CCN(CC)CC)CCC(F)(F)F ZINC000297901817 553354962 /nfs/dbraw/zinc/35/49/62/553354962.db2.gz WFOMYQAQFHLIBN-UHFFFAOYSA-N 0 3 351.413 2.144 20 30 FEEDHN COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCO1 ZINC000298448454 553426294 /nfs/dbraw/zinc/42/62/94/553426294.db2.gz HHQNRSDKBIIPQR-HUUCEWRRSA-N 0 3 363.483 2.221 20 30 FEEDHN COC[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1 ZINC000298584221 553444682 /nfs/dbraw/zinc/44/46/82/553444682.db2.gz RDUSIBZXQOEWGB-HZPDHXFCSA-N 0 3 351.834 2.324 20 30 FEEDHN N#Cc1ccc(N2CC[C@H](N[C@@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000298856663 553481735 /nfs/dbraw/zinc/48/17/35/553481735.db2.gz IWNDSRRGSXQPDD-ROUUACIJSA-N 0 3 354.454 2.077 20 30 FEEDHN C[C@@H](C#N)CN(C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000298962105 553495798 /nfs/dbraw/zinc/49/57/98/553495798.db2.gz NBRWLTPMYHFNPO-IBGZPJMESA-N 0 3 371.529 2.385 20 30 FEEDHN NC(=NOCC(=O)NCc1ccco1)c1ccccc1CN1CCCCC1 ZINC000299385759 553556013 /nfs/dbraw/zinc/55/60/13/553556013.db2.gz YALQLGYXNNGRHF-UHFFFAOYSA-N 0 3 370.453 2.219 20 30 FEEDHN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000301576479 553662930 /nfs/dbraw/zinc/66/29/30/553662930.db2.gz YUMQZQGZMKFDHU-UONOGXRCSA-N 0 3 354.376 2.398 20 30 FEEDHN C[C@@H]1CCC[C@@](CNCCS(=O)(=O)c2ccc(C#N)cc2)(N(C)C)C1 ZINC000327064715 553785959 /nfs/dbraw/zinc/78/59/59/553785959.db2.gz YJJBUILXCXHNFO-VQIMIIECSA-N 0 3 363.527 2.432 20 30 FEEDHN Cc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)C(=O)C2)N2CCCC2)cc1 ZINC000328647710 553801810 /nfs/dbraw/zinc/80/18/10/553801810.db2.gz ABKCAWXQPPVGGQ-LJQANCHMSA-N 0 3 370.497 2.353 20 30 FEEDHN Cc1nc2cccc(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)c2[nH]1 ZINC000328685847 553807156 /nfs/dbraw/zinc/80/71/56/553807156.db2.gz FWASTRGCLZJMPQ-SFHVURJKSA-N 0 3 360.483 2.384 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328697682 553808788 /nfs/dbraw/zinc/80/87/88/553808788.db2.gz DRBFSHMKXAKZAF-GSEOLPGOSA-N 0 3 371.481 2.184 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328722768 553812606 /nfs/dbraw/zinc/81/26/06/553812606.db2.gz XSQRHFWTOZVDIW-VSZNYVQBSA-N 0 3 367.534 2.178 20 30 FEEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328737240 553814682 /nfs/dbraw/zinc/81/46/82/553814682.db2.gz LQMQAPZUDJAIAL-OTWHNJEPSA-N 0 3 373.497 2.301 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000328869700 553836135 /nfs/dbraw/zinc/83/61/35/553836135.db2.gz PFMZHJYVNQDGLR-SJLPKXTDSA-N 0 3 359.470 2.245 20 30 FEEDHN CCN1CCC(NC(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)CC1 ZINC000328872733 553836509 /nfs/dbraw/zinc/83/65/09/553836509.db2.gz QQTAITINLDNPOY-UHFFFAOYSA-N 0 3 372.513 2.080 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)CN1C1CC1 ZINC000329001497 553862208 /nfs/dbraw/zinc/86/22/08/553862208.db2.gz XOCMYGOKMKSNBK-YVTWGWGSSA-N 0 3 371.481 2.384 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329104301 553881146 /nfs/dbraw/zinc/88/11/46/553881146.db2.gz GOWHICNOFIIFHX-CVEARBPZSA-N 0 3 350.507 2.298 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CN1Cc1ccccc1 ZINC000329112262 553882708 /nfs/dbraw/zinc/88/27/08/553882708.db2.gz KMBZPFOUNMSATF-RDPOXOKHSA-N 0 3 373.497 2.491 20 30 FEEDHN CN(CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C)[C@@H]1CCSC1 ZINC000329159325 553891302 /nfs/dbraw/zinc/89/13/02/553891302.db2.gz DFYMGWLZHZFWTE-HDMKZQKVSA-N 0 3 365.547 2.197 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000329185730 553897966 /nfs/dbraw/zinc/89/79/66/553897966.db2.gz ORZRYXCPKHQBSU-VSZNYVQBSA-N 0 3 353.507 2.289 20 30 FEEDHN CCN(C)[C@H](C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1)c1ccccc1 ZINC000329206762 553902138 /nfs/dbraw/zinc/90/21/38/553902138.db2.gz YGWOBMQZIJKTRL-OALUTQOASA-N 0 3 372.513 2.331 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329211398 553903167 /nfs/dbraw/zinc/90/31/67/553903167.db2.gz ZDPLACROTUSOBN-KBPBESRZSA-N 0 3 364.515 2.405 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000329213353 553903674 /nfs/dbraw/zinc/90/36/74/553903674.db2.gz JGVBRSWDXUTOHP-KRWDZBQOSA-N 0 3 365.499 2.406 20 30 FEEDHN C[C@@H](NC(=O)NCCc1cc(F)cc2c1OCOC2)C1=CCN(C)CC1 ZINC000329338565 553928114 /nfs/dbraw/zinc/92/81/14/553928114.db2.gz NESSNCFUJHLEIQ-CYBMUJFWSA-N 0 3 363.433 2.389 20 30 FEEDHN COc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1N1CCCC1=O ZINC000329471332 553952617 /nfs/dbraw/zinc/95/26/17/553952617.db2.gz ZLTQJORQQIUDFB-RHSMWYFYSA-N 0 3 372.469 2.394 20 30 FEEDHN CC(C)(C)N1C[C@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1=O ZINC000329477277 553953904 /nfs/dbraw/zinc/95/39/04/553953904.db2.gz UKGGYQKOCKFZRB-MSOLQXFVSA-N 0 3 373.497 2.357 20 30 FEEDHN O=C(CN1CCN(CC2CCOCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000329548563 553965740 /nfs/dbraw/zinc/96/57/40/553965740.db2.gz CHFHSVDJSLVGAZ-UHFFFAOYSA-N 0 3 361.442 2.048 20 30 FEEDHN C[C@@H]1C(=O)CC[C@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)C1(C)C ZINC000329582941 553971799 /nfs/dbraw/zinc/97/17/99/553971799.db2.gz LOUSNMZQJKJMFN-GDBMZVCRSA-N 0 3 365.518 2.385 20 30 FEEDHN C[C@H](NC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000329770282 554003074 /nfs/dbraw/zinc/00/30/74/554003074.db2.gz IQKYWPUFPHWGQV-FZKCQIBNSA-N 0 3 371.547 2.061 20 30 FEEDHN Cc1cncc(CNC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000329795672 554007384 /nfs/dbraw/zinc/00/73/84/554007384.db2.gz WNRXSJKWTUZQKH-UHFFFAOYSA-N 0 3 359.518 2.154 20 30 FEEDHN C[C@@H]1CC(CNC(=O)N2CCN(CC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000329811489 554010122 /nfs/dbraw/zinc/01/01/22/554010122.db2.gz RIQAFXVZBSUCPV-HZPDHXFCSA-N 0 3 353.507 2.148 20 30 FEEDHN CN(C(=O)CNC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCCC1 ZINC000329828575 554013456 /nfs/dbraw/zinc/01/34/56/554013456.db2.gz RWUFHMNJWLZHDZ-KRWDZBQOSA-N 0 3 350.507 2.252 20 30 FEEDHN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)CCO2)o1 ZINC000329981195 554043541 /nfs/dbraw/zinc/04/35/41/554043541.db2.gz MUGOPOVFJQICSL-GUTXKFCHSA-N 0 3 363.462 2.106 20 30 FEEDHN COc1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)nn1C ZINC000329986757 554044755 /nfs/dbraw/zinc/04/47/55/554044755.db2.gz FOYWITNNEOSDFU-UHFFFAOYSA-N 0 3 352.504 2.485 20 30 FEEDHN CC(C(=O)NC[C@@](C)(O)C1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000330143253 554073069 /nfs/dbraw/zinc/07/30/69/554073069.db2.gz KHCHKKOOKLTAES-CXAGYDPISA-N 0 3 361.504 2.257 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@@H](C)O1 ZINC000330147263 554073749 /nfs/dbraw/zinc/07/37/49/554073749.db2.gz UAGIIEZLWXBCSM-TXCZRRACSA-N 0 3 361.490 2.275 20 30 FEEDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@@]3(CCN(C)C3)C2)cn1 ZINC000330181157 554079371 /nfs/dbraw/zinc/07/93/71/554079371.db2.gz GLJLQRHVJMGYFN-HHXXYDBFSA-N 0 3 374.489 2.005 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC[C@H]2CCCN2C2CCCCC2)cc1C#N ZINC000330211561 554086304 /nfs/dbraw/zinc/08/63/04/554086304.db2.gz JHONHKQRRBCMFA-QGZVFWFLSA-N 0 3 362.499 2.337 20 30 FEEDHN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1(C)C ZINC000330215419 554086821 /nfs/dbraw/zinc/08/68/21/554086821.db2.gz HABVRYOSJXCWKN-TXCZRRACSA-N 0 3 353.507 2.145 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330234682 554090410 /nfs/dbraw/zinc/09/04/10/554090410.db2.gz STDYZWQNIJTNMT-QGZVFWFLSA-N 0 3 351.491 2.259 20 30 FEEDHN O=C(N[C@@H]1CCn2ccnc2C1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000330277359 554098223 /nfs/dbraw/zinc/09/82/23/554098223.db2.gz OCFNSGNCXDNWRS-ZIAGYGMSSA-N 0 3 356.430 2.252 20 30 FEEDHN C[C@@H](CN(C)C)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000330683497 554156692 /nfs/dbraw/zinc/15/66/92/554156692.db2.gz RLADIWYFUYRXTO-LBPRGKRZSA-N 0 3 359.517 2.177 20 30 FEEDHN O=C(NCC1CCN(CCO)CC1)Nc1nc(C(F)(F)F)cs1 ZINC000330707919 554161177 /nfs/dbraw/zinc/16/11/77/554161177.db2.gz VBXNDGXLYGIVGS-UHFFFAOYSA-N 0 3 352.382 2.192 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000330725457 554163600 /nfs/dbraw/zinc/16/36/00/554163600.db2.gz ZPKYJFSQVJDTJX-CQSZACIVSA-N 0 3 367.515 2.439 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000330795384 554172418 /nfs/dbraw/zinc/17/24/18/554172418.db2.gz GHXBVBFZRHQNDO-BRWVUGGUSA-N 0 3 352.523 2.448 20 30 FEEDHN N#CCN1CCC(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000331479563 554271549 /nfs/dbraw/zinc/27/15/49/554271549.db2.gz TVPPWPKGHZJHBE-IBGZPJMESA-N 0 3 372.488 2.389 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331874951 554336440 /nfs/dbraw/zinc/33/64/40/554336440.db2.gz PCXHQDAYDWMORG-ZWKOTPCHSA-N 0 3 355.486 2.079 20 30 FEEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000331979103 554356709 /nfs/dbraw/zinc/35/67/09/554356709.db2.gz FBWJRKWBXWEQRK-OALUTQOASA-N 0 3 370.497 2.393 20 30 FEEDHN CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000509808957 561814905 /nfs/dbraw/zinc/81/49/05/561814905.db2.gz MNPHWXFMGZPOBP-UHFFFAOYSA-N 0 3 360.433 2.360 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)ccc1C(F)(F)F ZINC000332322165 554424919 /nfs/dbraw/zinc/42/49/19/554424919.db2.gz ZUFBUWNETWDOTJ-CABCVRRESA-N 0 3 373.400 2.482 20 30 FEEDHN C[C@@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@H](C)CN1 ZINC000333584577 554625628 /nfs/dbraw/zinc/62/56/28/554625628.db2.gz AMYMJVWHWXYKFD-QBBMROGASA-N 0 3 357.458 2.035 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000348626838 554692605 /nfs/dbraw/zinc/69/26/05/554692605.db2.gz SWPDYTYHOFOLFE-NXHRZFHOSA-N 0 3 357.454 2.020 20 30 FEEDHN Cn1cc(CNC[C@H]2CN3CCCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998501 554858940 /nfs/dbraw/zinc/85/89/40/554858940.db2.gz XDQWURAMHSJKFN-PMACEKPBSA-N 0 3 365.481 2.302 20 30 FEEDHN C#CCN1CCC(C(=O)NC2CCC(O)(c3cccc(F)c3)CC2)CC1 ZINC000360367607 554872769 /nfs/dbraw/zinc/87/27/69/554872769.db2.gz SXEIUUGMXIIJBH-UHFFFAOYSA-N 0 3 358.457 2.417 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000361799123 554935148 /nfs/dbraw/zinc/93/51/48/554935148.db2.gz PGYDMDHKMBOURQ-IAGOWNOFSA-N 0 3 356.470 2.321 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000361799122 554935300 /nfs/dbraw/zinc/93/53/00/554935300.db2.gz PGYDMDHKMBOURQ-DLBZAZTESA-N 0 3 356.470 2.321 20 30 FEEDHN CCCN1CCN(C2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000362701635 554981473 /nfs/dbraw/zinc/98/14/73/554981473.db2.gz IMIWVDKMIFMSEA-UHFFFAOYSA-N 0 3 369.513 2.260 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](c2nnc(C)n2C)c2ccccc2)CC1 ZINC000363496323 555120609 /nfs/dbraw/zinc/12/06/09/555120609.db2.gz OMHBWMNVOBECBK-GOSISDBHSA-N 0 3 368.485 2.163 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000363515026 555124998 /nfs/dbraw/zinc/12/49/98/555124998.db2.gz AUBMMUYRRYMPQB-MJGOQNOKSA-N 0 3 357.454 2.087 20 30 FEEDHN COc1cccc(CC(=O)N2CCC(NCc3ccc(C#N)o3)CC2)c1 ZINC000363556617 555136462 /nfs/dbraw/zinc/13/64/62/555136462.db2.gz KQAQVLQFNMVDOX-UHFFFAOYSA-N 0 3 353.422 2.483 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000363630247 555150635 /nfs/dbraw/zinc/15/06/35/555150635.db2.gz OYBZCTBBOLQOJZ-UHFFFAOYSA-N 0 3 356.857 2.487 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363854976 555200146 /nfs/dbraw/zinc/20/01/46/555200146.db2.gz HTJIBGVLANMFHN-QAPCUYQASA-N 0 3 350.422 2.377 20 30 FEEDHN COC(=O)c1cn([C@H]2CCCN(CCCOc3cccc(C#N)c3)C2)nn1 ZINC000363999325 555230573 /nfs/dbraw/zinc/23/05/73/555230573.db2.gz JGDMWYNJSGEHAP-INIZCTEOSA-N 0 3 369.425 2.042 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000364193864 555267073 /nfs/dbraw/zinc/26/70/73/555267073.db2.gz ZIIQIYQZBNHOMI-HNNXBMFYSA-N 0 3 363.408 2.084 20 30 FEEDHN Cc1cccc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)c1C#N ZINC000364291714 555285767 /nfs/dbraw/zinc/28/57/67/555285767.db2.gz OXSTVYCIIXIDJL-DLBZAZTESA-N 0 3 359.426 2.121 20 30 FEEDHN CCN(CCNC(=O)Nc1cc(C)n(-c2cccc(C#N)c2)n1)C1CC1 ZINC000364520324 555328563 /nfs/dbraw/zinc/32/85/63/555328563.db2.gz LFGRLJCGSIDTMU-UHFFFAOYSA-N 0 3 352.442 2.658 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc([C@@H]3CCCCN3C(C)=O)n2C)CC1 ZINC000364634253 555358913 /nfs/dbraw/zinc/35/89/13/555358913.db2.gz ZZEWIPCCVGLUGV-IBGZPJMESA-N 0 3 372.513 2.479 20 30 FEEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)COc1ccccc1C#N ZINC000364671576 555370047 /nfs/dbraw/zinc/37/00/47/555370047.db2.gz IETIYTZRBULKBL-RXVVDRJESA-N 0 3 364.449 2.483 20 30 FEEDHN C#CCOc1ccc(C(=O)N2CCC(N3CCN(CCC)CC3)CC2)cc1 ZINC000364785078 555402089 /nfs/dbraw/zinc/40/20/89/555402089.db2.gz GKLBGRCWOKLHBI-UHFFFAOYSA-N 0 3 369.509 2.331 20 30 FEEDHN N#Cc1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000364880460 555423685 /nfs/dbraw/zinc/42/36/85/555423685.db2.gz LQVNSSZKGSPKND-DLBZAZTESA-N 0 3 364.287 2.352 20 30 FEEDHN FC(F)OC[C@@H]1CCN(CC#CCN2CC[C@H](COC(F)F)C2)C1 ZINC000512838130 561917407 /nfs/dbraw/zinc/91/74/07/561917407.db2.gz BKYSENXZCUCVKO-OKILXGFUSA-N 0 3 352.372 2.112 20 30 FEEDHN N#Cc1ncn(CCNCc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000512893912 561919042 /nfs/dbraw/zinc/91/90/42/561919042.db2.gz GNQAARLVMPHQMD-UHFFFAOYSA-N 0 3 358.405 2.390 20 30 FEEDHN C=CCOc1ccc(CNC[C@@H]2CCCCN2S(C)(=O)=O)cc1OC ZINC000513030894 561923102 /nfs/dbraw/zinc/92/31/02/561923102.db2.gz BFIQDVZVBBUSAH-INIZCTEOSA-N 0 3 368.499 2.164 20 30 FEEDHN N#Cc1ccncc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000513053572 561923474 /nfs/dbraw/zinc/92/34/74/561923474.db2.gz WOGSDQSFBBIODS-UHFFFAOYSA-N 0 3 350.422 2.358 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000365336492 555546281 /nfs/dbraw/zinc/54/62/81/555546281.db2.gz MXYVGVVWHDININ-AYOQOUSVSA-N 0 3 356.470 2.247 20 30 FEEDHN C#Cc1ccccc1CC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000365694279 555642702 /nfs/dbraw/zinc/64/27/02/555642702.db2.gz YWEGYWXZBMEMNK-UHFFFAOYSA-N 0 3 353.510 2.087 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCN([C@H]2CCSC2)CC1 ZINC000366074597 555743953 /nfs/dbraw/zinc/74/39/53/555743953.db2.gz RVPHMGNSVFJGTD-AWEZNQCLSA-N 0 3 350.513 2.071 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000513839694 561952060 /nfs/dbraw/zinc/95/20/60/561952060.db2.gz OWJXYYFCVJKMLX-KRWDZBQOSA-N 0 3 353.422 2.420 20 30 FEEDHN C[C@H](CO)N1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000366508461 555862904 /nfs/dbraw/zinc/86/29/04/555862904.db2.gz RPRCVGHHDUSZKH-MRXNPFEDSA-N 0 3 367.497 2.377 20 30 FEEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000366647175 555898530 /nfs/dbraw/zinc/89/85/30/555898530.db2.gz XTPMLLHDBUJHDT-CYBMUJFWSA-N 0 3 353.875 2.461 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000366702569 555913074 /nfs/dbraw/zinc/91/30/74/555913074.db2.gz OMRQZNRXTPDAMU-ZSYWTGECSA-N 0 3 358.486 2.355 20 30 FEEDHN CN(C)C[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)c2ccccc2O1 ZINC000366885118 555960350 /nfs/dbraw/zinc/96/03/50/555960350.db2.gz UZLGBKOXWYEROQ-GOSISDBHSA-N 0 3 365.433 2.487 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](c2ccccc2)[C@@H]2CCOC2)nc1 ZINC000367307792 556014531 /nfs/dbraw/zinc/01/45/31/556014531.db2.gz LHBDKYWCWDEMRW-IEBWSBKVSA-N 0 3 371.462 2.094 20 30 FEEDHN C[C@H]1C[C@@H](Nc2cc(S(N)(=O)=O)ccc2C#N)CN1Cc1ccccc1 ZINC000367338684 556022171 /nfs/dbraw/zinc/02/21/71/556022171.db2.gz CVHNIPSQJJSMAR-WMLDXEAASA-N 0 3 370.478 2.281 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000367626699 556100143 /nfs/dbraw/zinc/10/01/43/556100143.db2.gz DQOLSSIGCWHMLU-QGZVFWFLSA-N 0 3 368.456 2.128 20 30 FEEDHN C=CCN(C(=O)C[C@@H]1CCCC(=O)N1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000367953953 556181765 /nfs/dbraw/zinc/18/17/65/556181765.db2.gz YFNBQTCYQSPMFB-OALUTQOASA-N 0 3 355.482 2.334 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@H]2[C@@H]1c1ccccc1 ZINC000368619106 556364608 /nfs/dbraw/zinc/36/46/08/556364608.db2.gz NNRQKHMNLLMFOL-KYJSFNMBSA-N 0 3 357.435 2.075 20 30 FEEDHN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000368666136 556379201 /nfs/dbraw/zinc/37/92/01/556379201.db2.gz CJTPZUPPDPTOOP-DFQSSKMNSA-N 0 3 371.481 2.163 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(NC(=O)C3CCC3)CC2)CC1 ZINC000369040985 556485840 /nfs/dbraw/zinc/48/58/40/556485840.db2.gz IWNOWDSAEYQMPN-UHFFFAOYSA-N 0 3 362.518 2.117 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000369079248 556499192 /nfs/dbraw/zinc/49/91/92/556499192.db2.gz SIYOXKKHQRJUJH-ROUUACIJSA-N 0 3 358.401 2.162 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000515952956 562026336 /nfs/dbraw/zinc/02/63/36/562026336.db2.gz RNENVTIVYJQPBY-SFHVURJKSA-N 0 3 370.501 2.049 20 30 FEEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369317002 556573008 /nfs/dbraw/zinc/57/30/08/556573008.db2.gz IHRMWIYXYBGDSM-HNNXBMFYSA-N 0 3 352.438 2.307 20 30 FEEDHN COc1ccc([C@@H]2[C@@H](CNC(=O)N3CCO[C@H](C#N)C3)CCCN2C)cc1 ZINC000369399110 556590732 /nfs/dbraw/zinc/59/07/32/556590732.db2.gz ADZMNSFIFGGZBI-BHIYHBOVSA-N 0 3 372.469 2.012 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000369543846 556627180 /nfs/dbraw/zinc/62/71/80/556627180.db2.gz NESBKXLETPQZOP-INIZCTEOSA-N 0 3 357.454 2.039 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(OC3CCOCC3)CC2)CC1 ZINC000369601435 556643490 /nfs/dbraw/zinc/64/34/90/556643490.db2.gz JNNGJWJLQSVJSQ-UHFFFAOYSA-N 0 3 351.491 2.006 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@@H]2[C@H]1c1ccccc1 ZINC000369678090 556666326 /nfs/dbraw/zinc/66/63/26/556666326.db2.gz JLXYCURXVADXBE-WSTZPKSXSA-N 0 3 367.474 2.482 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000369682577 556667546 /nfs/dbraw/zinc/66/75/46/556667546.db2.gz FRQVKZJZXYZOSJ-UURKPOQGSA-N 0 3 350.503 2.363 20 30 FEEDHN C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCN1C ZINC000369859239 556714215 /nfs/dbraw/zinc/71/42/15/556714215.db2.gz AFIUAKXDZKPIJW-QAPCUYQASA-N 0 3 370.501 2.046 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 ZINC000370015014 556758118 /nfs/dbraw/zinc/75/81/18/556758118.db2.gz BFAYNPGKODYWHJ-PKOBYXMFSA-N 0 3 367.493 2.200 20 30 FEEDHN C=CCC[C@@H](O)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000370503223 556892559 /nfs/dbraw/zinc/89/25/59/556892559.db2.gz PYBGEQVJCACNCW-MRXNPFEDSA-N 0 3 358.438 2.239 20 30 FEEDHN COc1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OCCCC#N ZINC000371325384 557146839 /nfs/dbraw/zinc/14/68/39/557146839.db2.gz DMDGGNMUBBRIEI-OALUTQOASA-N 0 3 373.497 2.409 20 30 FEEDHN COc1cc(CN(CCO)C[C@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000517784547 562098050 /nfs/dbraw/zinc/09/80/50/562098050.db2.gz JUVHGBQKAIYCCU-INIZCTEOSA-N 0 3 370.449 2.321 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000371790283 557294542 /nfs/dbraw/zinc/29/45/42/557294542.db2.gz WOVRSURXBUXALS-UHFFFAOYSA-N 0 3 368.525 2.367 20 30 FEEDHN Cc1cc(NC(=O)N2C[C@@H]3CCCN3C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000372373122 557453480 /nfs/dbraw/zinc/45/34/80/557453480.db2.gz BLXBOIHOKCYKAW-QAPCUYQASA-N 0 3 364.453 2.753 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000519515501 562132969 /nfs/dbraw/zinc/13/29/69/562132969.db2.gz JNWGWLNSENMIAM-OAHLLOKOSA-N 0 3 367.453 2.293 20 30 FEEDHN C=CCN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372598775 557516755 /nfs/dbraw/zinc/51/67/55/557516755.db2.gz HGOMAZXDDITJJF-RBUKOAKNSA-N 0 3 370.497 2.066 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1 ZINC000372797594 557564396 /nfs/dbraw/zinc/56/43/96/557564396.db2.gz BGAKHPFHJOSHBY-HZPDHXFCSA-N 0 3 356.451 2.399 20 30 FEEDHN Cc1ccc(O[C@H](C)CNCCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000519760009 562142900 /nfs/dbraw/zinc/14/29/00/562142900.db2.gz OKXSNQUTIDGGTK-OAHLLOKOSA-N 0 3 359.451 2.093 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCC23CCC3)CC1 ZINC000373091357 557626706 /nfs/dbraw/zinc/62/67/06/557626706.db2.gz BUNQBODHHKRPJB-MRXNPFEDSA-N 0 3 358.511 2.475 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373322141 557671949 /nfs/dbraw/zinc/67/19/49/557671949.db2.gz VBIKOVXZAVZMOD-PSBWJHGTSA-N 0 3 350.503 2.315 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)CCN(C)C3CC3)C2)n1 ZINC000373490788 557703621 /nfs/dbraw/zinc/70/36/21/557703621.db2.gz UJBBNULYDKRKMU-QGZVFWFLSA-N 0 3 355.486 2.031 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000373777625 557757223 /nfs/dbraw/zinc/75/72/23/557757223.db2.gz NMXCSXNDMHSOAF-ZWOKBUDYSA-N 0 3 365.518 2.395 20 30 FEEDHN C=CCN(Cc1nnc2n1CCOC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373897761 557782364 /nfs/dbraw/zinc/78/23/64/557782364.db2.gz CMBYEDZANZZIKA-GOSISDBHSA-N 0 3 353.470 2.071 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)NC[C@H]1CN(C2CC2)CCO1 ZINC000374222363 557845597 /nfs/dbraw/zinc/84/55/97/557845597.db2.gz KPFGSLRWCZHTMD-WBVHZDCISA-N 0 3 363.527 2.104 20 30 FEEDHN C[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000374319226 557864789 /nfs/dbraw/zinc/86/47/89/557864789.db2.gz WQVRJXWPZGWWIW-LXJMMZIJSA-N 0 3 352.482 2.056 20 30 FEEDHN CN(C)Cc1ccc(C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374332395 557867103 /nfs/dbraw/zinc/86/71/03/557867103.db2.gz RRUMUPNMYFRMRQ-VGSWGCGISA-N 0 3 374.444 2.234 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000374472709 557888557 /nfs/dbraw/zinc/88/85/57/557888557.db2.gz RBJZGYSAFGYOLH-RTBURBONSA-N 0 3 353.466 2.316 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000374472705 557888602 /nfs/dbraw/zinc/88/86/02/557888602.db2.gz RBJZGYSAFGYOLH-MOPGFXCFSA-N 0 3 353.466 2.316 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](CNC(=O)c3ccco3)C2)cc1 ZINC000374565429 557900489 /nfs/dbraw/zinc/90/04/89/557900489.db2.gz GZFJXHZKGVBKRO-SJLPKXTDSA-N 0 3 353.422 2.327 20 30 FEEDHN CN(C)c1noc([C@@H]2CCCN(CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000374634652 557909828 /nfs/dbraw/zinc/90/98/28/557909828.db2.gz AAXOFJKSEQHVBB-OAHLLOKOSA-N 0 3 368.441 2.215 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@@H]21 ZINC000375018188 557964800 /nfs/dbraw/zinc/96/48/00/557964800.db2.gz IULDCJLKDGWDPJ-YJBOKZPZSA-N 0 3 354.454 2.220 20 30 FEEDHN CN1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000375070829 557973528 /nfs/dbraw/zinc/97/35/28/557973528.db2.gz JZPOWZVPUNXWKC-PMACEKPBSA-N 0 3 369.490 2.367 20 30 FEEDHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c(C#N)c1CC ZINC000375874805 558092272 /nfs/dbraw/zinc/09/22/72/558092272.db2.gz RSTWXCCJQPRAKA-MRXNPFEDSA-N 0 3 356.518 2.078 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000376349636 558161509 /nfs/dbraw/zinc/16/15/09/558161509.db2.gz JCOSBSVMSZBBQC-WFASDCNBSA-N 0 3 353.875 2.459 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000376348871 558161572 /nfs/dbraw/zinc/16/15/72/558161572.db2.gz HNUMEZRHROOZSZ-LRDDRELGSA-N 0 3 353.875 2.459 20 30 FEEDHN C[C@H]1COCCN1CCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000522213881 562194386 /nfs/dbraw/zinc/19/43/86/562194386.db2.gz GUDBOFNMMLTFIR-KRWDZBQOSA-N 0 3 353.470 2.274 20 30 FEEDHN CN(Cc1ccc(C#N)cc1F)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000377575063 558368615 /nfs/dbraw/zinc/36/86/15/558368615.db2.gz KIMRJVCKDPQEAX-UHFFFAOYSA-N 0 3 358.461 2.216 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC3(C2)CCCOC3)cc1 ZINC000377598669 558373936 /nfs/dbraw/zinc/37/39/36/558373936.db2.gz ORKKRQXXFDKNAI-ZDUSSCGKSA-N 0 3 363.439 2.017 20 30 FEEDHN C#Cc1ccc(CNCc2c(C)nn(C)c2N2CCCN(C)CC2)cc1 ZINC000377612719 558377420 /nfs/dbraw/zinc/37/74/20/558377420.db2.gz BUQYXNQEINASOW-UHFFFAOYSA-N 0 3 351.498 2.142 20 30 FEEDHN CCN1CCc2c(cccc2-n2nnc(C(=O)NCCCCC#N)c2C)C1 ZINC000377615136 558377932 /nfs/dbraw/zinc/37/79/32/558377932.db2.gz MRVCVVIUDGNZEQ-UHFFFAOYSA-N 0 3 366.469 2.377 20 30 FEEDHN CN1CC[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000377650367 558386698 /nfs/dbraw/zinc/38/66/98/558386698.db2.gz MDQJIXYGGOSHMX-UHOSZYNNSA-N 0 3 360.889 2.483 20 30 FEEDHN N#Cc1ccccc1N1CCC(CNC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000377895391 558443294 /nfs/dbraw/zinc/44/32/94/558443294.db2.gz IXRBDZLTFSTPCQ-IBGZPJMESA-N 0 3 367.497 2.264 20 30 FEEDHN C#CCOc1ccccc1CN1C[C@H]2CN(Cc3noc(CC)n3)C[C@@H]2C1 ZINC000378349353 558535703 /nfs/dbraw/zinc/53/57/03/558535703.db2.gz JOHWRTAUXMHTCF-ROUUACIJSA-N 0 3 366.465 2.208 20 30 FEEDHN CCc1nc(C#N)cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)n1 ZINC000404181507 558631567 /nfs/dbraw/zinc/63/15/67/558631567.db2.gz JKULFTSNIDOYRU-RBUKOAKNSA-N 0 3 363.465 2.390 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000409591887 558706302 /nfs/dbraw/zinc/70/63/02/558706302.db2.gz AGEBZUWNVJPQET-GOSISDBHSA-N 0 3 364.515 2.202 20 30 FEEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409757164 558718598 /nfs/dbraw/zinc/71/85/98/558718598.db2.gz DQFZWLDGAMBVIS-WMZOPIPTSA-N 0 3 366.469 2.081 20 30 FEEDHN CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000409841668 558722281 /nfs/dbraw/zinc/72/22/81/558722281.db2.gz XGQYPUOUWUMMJB-XYJFISCASA-N 0 3 366.469 2.395 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)CC1 ZINC000411229116 558856690 /nfs/dbraw/zinc/85/66/90/558856690.db2.gz PVLQWBBSWSPHKV-GXTWGEPZSA-N 0 3 363.424 2.236 20 30 FEEDHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000411700406 558946830 /nfs/dbraw/zinc/94/68/30/558946830.db2.gz YGORKFBKPOGAQR-UHFFFAOYSA-N 0 3 374.441 2.288 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCN1C ZINC000525852783 562257394 /nfs/dbraw/zinc/25/73/94/562257394.db2.gz CJQMHLVUVFWMDQ-YKWDICOMSA-N 0 3 371.485 2.425 20 30 FEEDHN N#Cc1cccnc1OC1CCC(N[C@H](C(N)=O)c2ccccc2)CC1 ZINC000525871943 562258001 /nfs/dbraw/zinc/25/80/01/562258001.db2.gz RABXNLRUJLAMCH-ABHNRTSZSA-N 0 3 350.422 2.459 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2n[nH]cc2Br)cc1 ZINC000525917569 562259682 /nfs/dbraw/zinc/25/96/82/562259682.db2.gz YIVGIIDCFLVLQG-LBPRGKRZSA-N 0 3 358.199 2.043 20 30 FEEDHN C=C(CC)CNC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413613650 559120412 /nfs/dbraw/zinc/12/04/12/559120412.db2.gz ZBJFTRRZSSFEIS-UHFFFAOYSA-N 0 3 358.486 2.149 20 30 FEEDHN C[C@H](NCC(C)(C)CC#N)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000414169775 559151184 /nfs/dbraw/zinc/15/11/84/559151184.db2.gz SAKWOWWCVXKMDP-HNNXBMFYSA-N 0 3 365.499 2.298 20 30 FEEDHN CNC(=O)NC1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000414545525 559170821 /nfs/dbraw/zinc/17/08/21/559170821.db2.gz RLJLGZHKOWMVGR-UHFFFAOYSA-N 0 3 366.469 2.357 20 30 FEEDHN N#Cc1cccc(COc2cccc(CN3CC[C@@H](O)[C@@H](CO)C3)c2)c1 ZINC000414556057 559171368 /nfs/dbraw/zinc/17/13/68/559171368.db2.gz JEEHUHOXRHIIMR-TZIWHRDSSA-N 0 3 352.434 2.312 20 30 FEEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC(C)(C)CN ZINC000415379375 559229182 /nfs/dbraw/zinc/22/91/82/559229182.db2.gz JNOKSAHRZUFQGH-UHFFFAOYSA-N 0 3 366.421 2.451 20 30 FEEDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000415428046 559235391 /nfs/dbraw/zinc/23/53/91/559235391.db2.gz NZVSUZFCHTXEID-ZIAGYGMSSA-N 0 3 362.499 2.366 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000527197974 562279900 /nfs/dbraw/zinc/27/99/00/562279900.db2.gz NRSAAYYUKWLPSS-GOSISDBHSA-N 0 3 362.518 2.260 20 30 FEEDHN COc1cc(NC(=O)c2ccc(C#N)c(C)n2)ccc1OCCN(C)C ZINC000416341067 559306599 /nfs/dbraw/zinc/30/65/99/559306599.db2.gz MAGUWKJWJNSYDG-UHFFFAOYSA-N 0 3 354.410 2.463 20 30 FEEDHN CCn1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1=O ZINC000417217231 559353456 /nfs/dbraw/zinc/35/34/56/559353456.db2.gz DCMCDTDGSZABDW-UHFFFAOYSA-N 0 3 367.453 2.336 20 30 FEEDHN CCc1ccccc1[C@@H](N)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000417772457 559375942 /nfs/dbraw/zinc/37/59/42/559375942.db2.gz YQDAMYTZIXWSPX-IBGZPJMESA-N 0 3 352.438 2.499 20 30 FEEDHN C=CCC[C@H]1NC(=O)N(Cc2ccc(CN3CCN(CC)CC3)cc2)C1=O ZINC000419924050 559464793 /nfs/dbraw/zinc/46/47/93/559464793.db2.gz MNALXYZWCGVDBZ-LJQANCHMSA-N 0 3 370.497 2.211 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@@H](c2ccc(SC)cc2)N(C)C)C1=O ZINC000419966485 559466775 /nfs/dbraw/zinc/46/67/75/559466775.db2.gz LJPGRCVZYMFOII-HOTGVXAUSA-N 0 3 363.483 2.134 20 30 FEEDHN CC1(C#N)CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420067495 559470880 /nfs/dbraw/zinc/47/08/80/559470880.db2.gz YHJKEEYKUVZOAC-SFHVURJKSA-N 0 3 364.449 2.108 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000420095306 559472391 /nfs/dbraw/zinc/47/23/91/559472391.db2.gz FQVTUMXMZIZYIG-UHFFFAOYSA-N 0 3 355.463 2.182 20 30 FEEDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000420411849 559486453 /nfs/dbraw/zinc/48/64/53/559486453.db2.gz CLRFKJFTHVFWGZ-UHFFFAOYSA-N 0 3 360.277 2.117 20 30 FEEDHN COC1([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000421037610 559521314 /nfs/dbraw/zinc/52/13/14/559521314.db2.gz SAYONSFACRYDNT-MAUKXSAKSA-N 0 3 357.454 2.227 20 30 FEEDHN CN1CCN(C(=O)c2ccc(CNCc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421334601 559539499 /nfs/dbraw/zinc/53/94/99/559539499.db2.gz QIXAFMPNCBRFNS-UHFFFAOYSA-N 0 3 366.440 2.375 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)CCN1Cc1ccccc1 ZINC000422307702 559577344 /nfs/dbraw/zinc/57/73/44/559577344.db2.gz OMHFXMXLRJNVJM-SJLPKXTDSA-N 0 3 370.497 2.212 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000424116633 559655298 /nfs/dbraw/zinc/65/52/98/559655298.db2.gz XNRATGOABXOHBM-HUUCEWRRSA-N 0 3 366.259 2.370 20 30 FEEDHN CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424129550 559655665 /nfs/dbraw/zinc/65/56/65/559655665.db2.gz SDSPQQBCXODLAR-HNNXBMFYSA-N 0 3 352.460 2.188 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000424141388 559655977 /nfs/dbraw/zinc/65/59/77/559655977.db2.gz UCQLFNKHSKJXHA-HZPDHXFCSA-N 0 3 368.437 2.175 20 30 FEEDHN CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)n1 ZINC000424186913 559657124 /nfs/dbraw/zinc/65/71/24/559657124.db2.gz JEWQEONMXBXIML-DGCLKSJQSA-N 0 3 350.444 2.004 20 30 FEEDHN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)n1 ZINC000424186917 559657129 /nfs/dbraw/zinc/65/71/29/559657129.db2.gz JEWQEONMXBXIML-YPMHNXCESA-N 0 3 350.444 2.004 20 30 FEEDHN Cc1cc(CN)cc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000424423566 559664033 /nfs/dbraw/zinc/66/40/33/559664033.db2.gz GOTIZFGXOMGKST-QGZVFWFLSA-N 0 3 351.410 2.406 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000425867452 559723286 /nfs/dbraw/zinc/72/32/86/559723286.db2.gz RVQUTRMTDYQPSX-INIZCTEOSA-N 0 3 370.497 2.458 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425883604 559723845 /nfs/dbraw/zinc/72/38/45/559723845.db2.gz MRCMABLJPUQGRW-ZACQAIPSSA-N 0 3 370.497 2.314 20 30 FEEDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 ZINC000427149093 559749280 /nfs/dbraw/zinc/74/92/80/559749280.db2.gz CLHSBTUGSJWZGB-AWEZNQCLSA-N 0 3 357.385 2.251 20 30 FEEDHN CC[NH+](CC)C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428371294 559774031 /nfs/dbraw/zinc/77/40/31/559774031.db2.gz VOOWVJSBHLUPIZ-LSDHHAIUSA-N 0 3 350.488 2.132 20 30 FEEDHN N#Cc1cccc(NCC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC000428542767 559777637 /nfs/dbraw/zinc/77/76/37/559777637.db2.gz VGUSHDXPYUFFRH-LJQANCHMSA-N 0 3 350.422 2.175 20 30 FEEDHN COC(=O)c1cccc(OCCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428783314 559783067 /nfs/dbraw/zinc/78/30/67/559783067.db2.gz MYVLWPYUBLJEIU-GOSISDBHSA-N 0 3 367.405 2.272 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN(CCO)[C@H]1CCCSC1 ZINC000433191032 559872986 /nfs/dbraw/zinc/87/29/86/559872986.db2.gz TXUMTWXCETWQAQ-ROUUACIJSA-N 0 3 351.512 2.345 20 30 FEEDHN CC(C)CNC(=O)[C@H]1CSCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433356882 559878367 /nfs/dbraw/zinc/87/83/67/559878367.db2.gz VNZQJDAPKSXNDN-DLBZAZTESA-N 0 3 359.495 2.433 20 30 FEEDHN CC(C(=O)N[C@@H](CCC#N)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000439668318 559998626 /nfs/dbraw/zinc/99/86/26/559998626.db2.gz AVFYHHGDOFONTE-YOEHRIQHSA-N 0 3 364.467 2.130 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccncc2OCC(F)F)CC1 ZINC000441004591 560021414 /nfs/dbraw/zinc/02/14/14/560021414.db2.gz AVVJGXWTZDLEFN-UHFFFAOYSA-N 0 3 354.401 2.175 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(NC(=O)CCC)c2)CC1 ZINC000442268310 560047310 /nfs/dbraw/zinc/04/73/10/560047310.db2.gz DCWRREYBLPPQNP-UHFFFAOYSA-N 0 3 372.469 2.130 20 30 FEEDHN CN(Cc1nnc2n1CCCCC2)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527457010 562288647 /nfs/dbraw/zinc/28/86/47/562288647.db2.gz JODJNHCWZKYZHV-QGZVFWFLSA-N 0 3 362.437 2.217 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000527458741 562288693 /nfs/dbraw/zinc/28/86/93/562288693.db2.gz NCGKLOYHVMLRCS-HOTGVXAUSA-N 0 3 365.355 2.402 20 30 FEEDHN CN1CCN(CCCNC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000443914266 560096129 /nfs/dbraw/zinc/09/61/29/560096129.db2.gz FBZTUTVDHCZCLR-UHFFFAOYSA-N 0 3 367.497 2.312 20 30 FEEDHN N#Cc1cc(F)c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(F)c1 ZINC000446254750 560142827 /nfs/dbraw/zinc/14/28/27/560142827.db2.gz ZOXABUZGYBDHJG-FQEVSTJZSA-N 0 3 371.387 2.203 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448883351 560204694 /nfs/dbraw/zinc/20/46/94/560204694.db2.gz QPQUJDGVJQFUKI-HOCLYGCPSA-N 0 3 374.872 2.117 20 30 FEEDHN CC1(C#N)CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449236225 560221205 /nfs/dbraw/zinc/22/12/05/560221205.db2.gz JLCRTSWKYPRZGB-UHFFFAOYSA-N 0 3 351.428 2.431 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCN1C ZINC000449943191 560246009 /nfs/dbraw/zinc/24/60/09/560246009.db2.gz YHBQHRIBCFXCRC-DGCLKSJQSA-N 0 3 366.259 2.298 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450315229 560258299 /nfs/dbraw/zinc/25/82/99/560258299.db2.gz OPIPTONUAHWRPG-UHFFFAOYSA-N 0 3 365.481 2.405 20 30 FEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000451231893 560294671 /nfs/dbraw/zinc/29/46/71/560294671.db2.gz REJTYFVGPULUFG-SJORKVTESA-N 0 3 364.467 2.043 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3ccc(F)cc3C#N)C2)CC1 ZINC000451530162 560312361 /nfs/dbraw/zinc/31/23/61/560312361.db2.gz HMABASVGFRYASO-SFHVURJKSA-N 0 3 372.488 2.464 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000451603433 560316899 /nfs/dbraw/zinc/31/68/99/560316899.db2.gz ZOCABCUXFZZZRN-RTWAWAEBSA-N 0 3 371.525 2.387 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]([C@@H](CO)C3CC3)C3CC3)C2=O)cc1 ZINC000451614818 560317496 /nfs/dbraw/zinc/31/74/96/560317496.db2.gz PASRUDXRQUZNED-SLFFLAALSA-N 0 3 353.466 2.440 20 30 FEEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCN(CCC(F)(F)F)CC1 ZINC000452107633 560351662 /nfs/dbraw/zinc/35/16/62/560351662.db2.gz BUSUUZFBEZCFGK-MRXNPFEDSA-N 0 3 360.424 2.143 20 30 FEEDHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000453579772 560389368 /nfs/dbraw/zinc/38/93/68/560389368.db2.gz WEAGHSXOXMBLNS-UHFFFAOYSA-N 0 3 359.474 2.027 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453613681 560391109 /nfs/dbraw/zinc/39/11/09/560391109.db2.gz NUJKAAMYSJLPHN-BZUAXINKSA-N 0 3 356.470 2.174 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1 ZINC000453653721 560393758 /nfs/dbraw/zinc/39/37/58/560393758.db2.gz HKHZAFLXZTVVRK-KRWDZBQOSA-N 0 3 354.454 2.186 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)N(C)C1CC1 ZINC000453659830 560394306 /nfs/dbraw/zinc/39/43/06/560394306.db2.gz VZPQXZGKXVPIBI-CYBMUJFWSA-N 0 3 372.469 2.273 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000453711248 560398719 /nfs/dbraw/zinc/39/87/19/560398719.db2.gz DMWJRTYONDJMFV-INIZCTEOSA-N 0 3 372.469 2.227 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)c1 ZINC000453714146 560398994 /nfs/dbraw/zinc/39/89/94/560398994.db2.gz TUHODKBPMRBDJZ-UHFFFAOYSA-N 0 3 366.421 2.384 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756004 560401879 /nfs/dbraw/zinc/40/18/79/560401879.db2.gz XTFXFGLOLPSFIO-DZGCQCFKSA-N 0 3 374.872 2.430 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756145 560401955 /nfs/dbraw/zinc/40/19/55/560401955.db2.gz PUQWSYXWYMQFRH-CXAGYDPISA-N 0 3 374.872 2.430 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000454449634 560444865 /nfs/dbraw/zinc/44/48/65/560444865.db2.gz YCIHFGPTMPBVBX-MOPGFXCFSA-N 0 3 361.486 2.202 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC[C@@H]2O)cc1 ZINC000455250471 560475631 /nfs/dbraw/zinc/47/56/31/560475631.db2.gz IXJYWJSMBLSFCI-ZENOOKHLSA-N 0 3 365.455 2.045 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000455552131 560486832 /nfs/dbraw/zinc/48/68/32/560486832.db2.gz YGSUTNIAERMTNU-UHFFFAOYSA-N 0 3 362.449 2.386 20 30 FEEDHN C=CCC[C@@H](CO)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000458389381 560619638 /nfs/dbraw/zinc/61/96/38/560619638.db2.gz QAEPKXXJIRCRGW-INIZCTEOSA-N 0 3 355.548 2.364 20 30 FEEDHN CCNC(=O)C(C)(C)NCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000459566669 560694464 /nfs/dbraw/zinc/69/44/64/560694464.db2.gz WRVULLHKCKPMIL-UHFFFAOYSA-N 0 3 362.499 2.331 20 30 FEEDHN N#C[C@@H]1CCC[C@H]1NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000461957861 560789705 /nfs/dbraw/zinc/78/97/05/560789705.db2.gz LLCJFWBOONDNTH-VQTJNVASSA-N 0 3 369.513 2.186 20 30 FEEDHN C[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CCC[C@H](C)C1 ZINC000462128995 560798287 /nfs/dbraw/zinc/79/82/87/560798287.db2.gz OTQJGUCLYYIDAF-HOTGVXAUSA-N 0 3 356.470 2.451 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000464209440 560836203 /nfs/dbraw/zinc/83/62/03/560836203.db2.gz VZHJLOIXKSJKEL-INIZCTEOSA-N 0 3 365.499 2.356 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3N(C)CCCC3(C)C)cc2C1=O ZINC000468472323 560930832 /nfs/dbraw/zinc/93/08/32/560930832.db2.gz JSNMFKAJHRHVEN-KRWDZBQOSA-N 0 3 369.465 2.319 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000470796837 560989781 /nfs/dbraw/zinc/98/97/81/560989781.db2.gz XNENMWRPZGTGKB-CXAGYDPISA-N 0 3 374.400 2.449 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000470796839 560989821 /nfs/dbraw/zinc/98/98/21/560989821.db2.gz XNENMWRPZGTGKB-GUYCJALGSA-N 0 3 374.400 2.449 20 30 FEEDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470832815 560990985 /nfs/dbraw/zinc/99/09/85/560990985.db2.gz TVUONCYWIZRQGG-OAHLLOKOSA-N 0 3 364.361 2.474 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000470988078 560996010 /nfs/dbraw/zinc/99/60/10/560996010.db2.gz BNEIMTWXQZLMNE-HKUYNNGSSA-N 0 3 353.422 2.037 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCc3n[nH]nc3C1)CCCC2 ZINC000472748941 561034388 /nfs/dbraw/zinc/03/43/88/561034388.db2.gz IXMMNUVMQWNDBV-UHFFFAOYSA-N 0 3 356.455 2.004 20 30 FEEDHN CN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474210687 561068415 /nfs/dbraw/zinc/06/84/15/561068415.db2.gz KOASWBYTZQFUHA-OAQYLSRUSA-N 0 3 362.477 2.381 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000476041407 561110070 /nfs/dbraw/zinc/11/00/70/561110070.db2.gz MXFXHBRXLAEYIT-QUCCMNQESA-N 0 3 356.514 2.464 20 30 FEEDHN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528368837 562325261 /nfs/dbraw/zinc/32/52/61/562325261.db2.gz WODFLQCGJJVQFU-APWZRJJASA-N 0 3 373.497 2.171 20 30 FEEDHN CC(C)C[C@H]1OCCC[C@H]1NCC#CCN1C(=O)c2ccccc2C1=O ZINC000528459067 562330558 /nfs/dbraw/zinc/33/05/58/562330558.db2.gz RZIDUOAKYGPLGT-RTBURBONSA-N 0 3 354.450 2.469 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC2(CCOCC2)CC1 ZINC000528498777 562332528 /nfs/dbraw/zinc/33/25/28/562332528.db2.gz YWNDAJNPSSAJGB-UHFFFAOYSA-N 0 3 352.434 2.179 20 30 FEEDHN CCO[C@@H]1C[C@@H](NCC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528520956 562333781 /nfs/dbraw/zinc/33/37/81/562333781.db2.gz OVWYKLMLDJQLJC-QZTJIDSGSA-N 0 3 352.434 2.223 20 30 FEEDHN CCO[C@H]1C[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528520961 562333875 /nfs/dbraw/zinc/33/38/75/562333875.db2.gz OVWYKLMLDJQLJC-ROUUACIJSA-N 0 3 352.434 2.223 20 30 FEEDHN N#Cc1ccc(C2(N[C@@H]3CCN(CC(F)(F)F)C3=O)CCOCC2)cc1 ZINC000528780075 562347251 /nfs/dbraw/zinc/34/72/51/562347251.db2.gz ATROYMPXGFTLRV-OAHLLOKOSA-N 0 3 367.371 2.317 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000528993880 562355666 /nfs/dbraw/zinc/35/56/66/562355666.db2.gz BDGGUKLGQXPNTO-LRXDAGSUSA-N 0 3 350.365 2.349 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000530230927 562403164 /nfs/dbraw/zinc/40/31/64/562403164.db2.gz DSAFUTNPMIGZGX-CVEARBPZSA-N 0 3 372.856 2.215 20 30 FEEDHN N#Cc1csc(CNC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000531117498 562435213 /nfs/dbraw/zinc/43/52/13/562435213.db2.gz VPGODOURGZTNLR-AWEZNQCLSA-N 0 3 357.435 2.034 20 30 FEEDHN CC(C#N)C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000531252006 562439700 /nfs/dbraw/zinc/43/97/00/562439700.db2.gz NYKVXUQZVHVORB-ZDUSSCGKSA-N 0 3 359.455 2.035 20 30 FEEDHN CC(C)(O)CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCOCC1 ZINC000531415940 562445102 /nfs/dbraw/zinc/44/51/02/562445102.db2.gz IZKFSMSPEDUKJH-UHFFFAOYSA-N 0 3 356.426 2.360 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000532067624 562465811 /nfs/dbraw/zinc/46/58/11/562465811.db2.gz QMKBURSUUXXMNR-KDOFPFPSSA-N 0 3 371.460 2.012 20 30 FEEDHN C=C[C@H](CC(=O)NC1CCN(CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000535389145 562557514 /nfs/dbraw/zinc/55/75/14/562557514.db2.gz KMKFERCWFJLHTR-QGZVFWFLSA-N 0 3 357.498 2.405 20 30 FEEDHN COc1cc(CN(C)CCC(=O)N(C)CCC#N)ccc1OC(F)F ZINC000536587365 562579825 /nfs/dbraw/zinc/57/98/25/562579825.db2.gz ZAIPRSUULLOQIU-UHFFFAOYSA-N 0 3 355.385 2.491 20 30 FEEDHN CN(C)CCOCCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000541528086 562614408 /nfs/dbraw/zinc/61/44/08/562614408.db2.gz MQKBFFASDKDNMM-UHFFFAOYSA-N 0 3 367.449 2.445 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N(CCC#N)CC3CC3)ccc2[nH]c1=O ZINC000602090439 567931961 /nfs/dbraw/zinc/93/19/61/567931961.db2.gz AZOJTNXFXLGYRG-UHFFFAOYSA-N 0 3 355.442 2.069 20 30 FEEDHN C[C@H](C#N)CN(C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)C1CC1 ZINC000602125392 567938924 /nfs/dbraw/zinc/93/89/24/567938924.db2.gz JTSJDLUKWNLXQP-CYBMUJFWSA-N 0 3 355.442 2.068 20 30 FEEDHN CN(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602583905 567994081 /nfs/dbraw/zinc/99/40/81/567994081.db2.gz VLVVMYMWWCAFAK-GJZGRUSLSA-N 0 3 356.392 2.445 20 30 FEEDHN CCOC(=O)c1ccc(N2CC(N[C@H](C)CC3(C#N)CCOCC3)C2)nc1 ZINC000602608326 567997334 /nfs/dbraw/zinc/99/73/34/567997334.db2.gz MEUQTOVEYPGRIZ-OAHLLOKOSA-N 0 3 372.469 2.135 20 30 FEEDHN CN(Cc1cnc2c(C#N)cnn2c1)C1CCN(CC(F)(F)F)CC1 ZINC000568395004 568030494 /nfs/dbraw/zinc/03/04/94/568030494.db2.gz KDHWKWUESYNWAV-UHFFFAOYSA-N 0 3 352.364 2.059 20 30 FEEDHN COc1ccc([C@@H](OC)[C@@H](C)NCc2cnc3c(C#N)cnn3c2)cc1 ZINC000569927964 568437703 /nfs/dbraw/zinc/43/77/03/568437703.db2.gz RZNSKVKJQQXPCE-ACJLOTCBSA-N 0 3 351.410 2.475 20 30 FEEDHN CCN(CC)CCS(=O)(=O)Oc1ccc(Br)cc1C#N ZINC000810057067 674527993 /nfs/dbraw/zinc/52/79/93/674527993.db2.gz SBLKRHKNKOQHMV-UHFFFAOYSA-N 0 3 361.261 2.371 20 30 FEEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826385052 609413688 /nfs/dbraw/zinc/41/36/88/609413688.db2.gz VDYZXZLZICEXCA-GOSISDBHSA-N 0 3 373.420 2.024 20 30 FEEDHN CO[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)C1 ZINC000816037672 675000614 /nfs/dbraw/zinc/00/06/14/675000614.db2.gz UWJOMIKKEYSRDO-NILFDRSVSA-N 0 3 350.365 2.495 20 30 FEEDHN N#Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000564523042 675030921 /nfs/dbraw/zinc/03/09/21/675030921.db2.gz HLNMAYCAXQVJML-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN N#Cc1cncc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)c1 ZINC000576216339 671352226 /nfs/dbraw/zinc/35/22/26/671352226.db2.gz DHVCNSUSMIGZOX-UHFFFAOYSA-N 0 3 362.499 2.420 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3cccc(F)c3)CC2)nc1 ZINC000579701613 671754298 /nfs/dbraw/zinc/75/42/98/671754298.db2.gz JFARQKPUYRIFIG-UHFFFAOYSA-N 0 3 359.426 2.187 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000119918914 671912533 /nfs/dbraw/zinc/91/25/33/671912533.db2.gz IYIOQSYWGZNHGE-IUODEOHRSA-N 0 3 352.431 2.415 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1cc(Cl)ccc1OC ZINC000124268041 671993895 /nfs/dbraw/zinc/99/38/95/671993895.db2.gz YVHXRKUTHKLBNC-AWEZNQCLSA-N 0 3 352.818 2.143 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccs2)n1 ZINC000125129994 672007389 /nfs/dbraw/zinc/00/73/89/672007389.db2.gz YRVPPKIGOORLDX-LBPRGKRZSA-N 0 3 363.464 2.276 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000582961736 672049918 /nfs/dbraw/zinc/04/99/18/672049918.db2.gz BDZGPTPWPMBBSA-GXTWGEPZSA-N 0 3 365.275 2.165 20 30 FEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)Sc2nncn2C)cc1 ZINC000128530700 672050242 /nfs/dbraw/zinc/05/02/42/672050242.db2.gz WBKGCRZVHMKHFV-RISCZKNCSA-N 0 3 357.439 2.206 20 30 FEEDHN N#CC(C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CC1 ZINC000134976357 672128234 /nfs/dbraw/zinc/12/82/34/672128234.db2.gz TYQLJPSYANZSEJ-ZDUSSCGKSA-N 0 3 358.785 2.310 20 30 FEEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000179476557 672402363 /nfs/dbraw/zinc/40/23/63/672402363.db2.gz XFNBUKHCISDMQV-LBPRGKRZSA-N 0 3 364.452 2.160 20 30 FEEDHN N#Cc1cc(Br)ccc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000588200420 672456941 /nfs/dbraw/zinc/45/69/41/672456941.db2.gz RTKQRNGGKFZNIP-DLBZAZTESA-N 0 3 364.287 2.352 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1Cl ZINC000594325123 673058541 /nfs/dbraw/zinc/05/85/41/673058541.db2.gz BGXIHOCSKAIWIJ-HZPDHXFCSA-N 0 3 360.845 2.283 20 30 FEEDHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594445588 673072760 /nfs/dbraw/zinc/07/27/60/673072760.db2.gz IJEDLGUMIMBZAW-BBRMVZONSA-N 0 3 366.487 2.113 20 30 FEEDHN O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330163716 673086547 /nfs/dbraw/zinc/08/65/47/673086547.db2.gz VIDIALRZDYNRTJ-UHFFFAOYSA-N 0 3 360.384 2.234 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809207 673091835 /nfs/dbraw/zinc/09/18/35/673091835.db2.gz IUJWINKNWSZSMR-HOTGVXAUSA-N 0 3 351.491 2.422 20 30 FEEDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000595194491 673207892 /nfs/dbraw/zinc/20/78/92/673207892.db2.gz NUWOZMUEYRDSCH-GFCCVEGCSA-N 0 3 362.499 2.456 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000729977097 673255588 /nfs/dbraw/zinc/25/55/88/673255588.db2.gz IUURNQQOKPZSPO-CQSZACIVSA-N 0 3 355.504 2.063 20 30 FEEDHN C#CCN1CCC[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000730281313 673268648 /nfs/dbraw/zinc/26/86/48/673268648.db2.gz IHQYRPWVMOVHOA-IBGZPJMESA-N 0 3 357.523 2.314 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@H](C)C1 ZINC000601357017 673847629 /nfs/dbraw/zinc/84/76/29/673847629.db2.gz YGJLMWQUTYQBDV-CZUORRHYSA-N 0 3 353.463 2.357 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000601415021 673858480 /nfs/dbraw/zinc/85/84/80/673858480.db2.gz PGYUEHNCLGRZFP-XJKSGUPXSA-N 0 3 351.447 2.253 20 30 FEEDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000601421063 673859829 /nfs/dbraw/zinc/85/98/29/673859829.db2.gz HYWRIRFPISHWSI-YGRLFVJLSA-N 0 3 372.288 2.034 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000818593271 675226748 /nfs/dbraw/zinc/22/67/48/675226748.db2.gz SJCAXAOOVCFBPT-LBPRGKRZSA-N 0 3 353.806 2.087 20 30 FEEDHN C#CCN(C)CCCNC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000818599559 675227453 /nfs/dbraw/zinc/22/74/53/675227453.db2.gz XQWWXOMRZFZIQM-UHFFFAOYSA-N 0 3 351.491 2.143 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H](CCO)c2ccccc2)c1 ZINC000567588735 675304320 /nfs/dbraw/zinc/30/43/20/675304320.db2.gz HZOFHQZSUVKMEX-GOSISDBHSA-N 0 3 358.463 2.088 20 30 FEEDHN CN1CCN(CCNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000619761280 676393768 /nfs/dbraw/zinc/39/37/68/676393768.db2.gz DKMSBBHAJMOOOW-UHFFFAOYSA-N 0 3 363.893 2.037 20 30 FEEDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(CCCOc2ccc(C#N)cc2)C1 ZINC000830675562 677054291 /nfs/dbraw/zinc/05/42/91/677054291.db2.gz YCEHKSZLIFTPEH-MRXNPFEDSA-N 0 3 355.360 2.328 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000839609066 680765868 /nfs/dbraw/zinc/76/58/68/680765868.db2.gz CDKOZGLQVGCWGV-HRCADAONSA-N 0 3 351.491 2.256 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)c1 ZINC000839592163 680764495 /nfs/dbraw/zinc/76/44/95/680764495.db2.gz GKTHKFKBRPGGDB-UHFFFAOYSA-N 0 3 355.463 2.258 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)c2ccc(F)cc2F)CC1 ZINC000660596650 678362373 /nfs/dbraw/zinc/36/23/73/678362373.db2.gz HTKVGIDXCAWTOJ-QGZVFWFLSA-N 0 3 353.413 2.338 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C[C@H]1N(C)C ZINC000765273092 680838002 /nfs/dbraw/zinc/83/80/02/680838002.db2.gz WKGFMOYLDQSVHN-HUUCEWRRSA-N 0 3 358.467 2.368 20 30 FEEDHN C[NH+]1CCC(C/N=C/c2cc(Cl)ccc2[O-])(N2CCOCC2)CC1 ZINC000840711871 680839189 /nfs/dbraw/zinc/83/91/89/680839189.db2.gz SWWJATKPSUHILY-DEDYPNTBSA-N 0 3 351.878 2.261 20 30 FEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001020387038 680107294 /nfs/dbraw/zinc/10/72/94/680107294.db2.gz IVLWBBFDALNBPE-ZQDZILKHSA-N 0 3 357.292 2.195 20 30 FEEDHN CO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835340214 680321375 /nfs/dbraw/zinc/32/13/75/680321375.db2.gz KIAYLSCYJBKEFD-UKPHBRMFSA-N 0 3 364.829 2.107 20 30 FEEDHN N#Cc1cc(Cl)c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(Cl)c1 ZINC000754412282 680354704 /nfs/dbraw/zinc/35/47/04/680354704.db2.gz MGEXWLZYRKJXIP-NEPJUHHUSA-N 0 3 354.237 2.458 20 30 FEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000999138736 680395560 /nfs/dbraw/zinc/39/55/60/680395560.db2.gz ZZSFJSHLMGYWEE-HKKVPVCXSA-N 0 3 357.292 2.289 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2ncc(Cl)n2C)CC1 ZINC001034737099 680439001 /nfs/dbraw/zinc/43/90/01/680439001.db2.gz PPQQDWSJIWNPNH-TUVASFSCSA-N 0 3 366.893 2.182 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000837360061 680592137 /nfs/dbraw/zinc/59/21/37/680592137.db2.gz JUKKDKUOAYJUKI-QGZVFWFLSA-N 0 3 350.894 2.197 20 30 FEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001045675394 680637724 /nfs/dbraw/zinc/63/77/24/680637724.db2.gz RXKWKZVAPCJYCL-OKZBNKHCSA-N 0 3 358.507 2.472 20 30 FEEDHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(c2snc(Cl)c2C#N)[C@@H]1C ZINC001050502778 681048941 /nfs/dbraw/zinc/04/89/41/681048941.db2.gz OSAPCBHPJRYWAV-KOLCDFICSA-N 0 3 364.862 2.026 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000846228283 681204955 /nfs/dbraw/zinc/20/49/55/681204955.db2.gz LWTCHFBFJIBDAM-CQSZACIVSA-N 0 3 365.271 2.387 20 30 FEEDHN CN(C)[S@@](C)(=O)=NCC1CCN(CCOc2ccccc2C#N)CC1 ZINC000934759525 681625065 /nfs/dbraw/zinc/62/50/65/681625065.db2.gz KIPWMYAKAHPXGW-VWLOTQADSA-N 0 3 364.515 2.223 20 30 FEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1 ZINC000949369958 681635514 /nfs/dbraw/zinc/63/55/14/681635514.db2.gz INFYRKFYFDEUON-ROUUACIJSA-N 0 3 350.503 2.317 20 30 FEEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1cn(C)nn1 ZINC000782102789 682006654 /nfs/dbraw/zinc/00/66/54/682006654.db2.gz WEKGXGZNHWBICK-CYBMUJFWSA-N 0 3 354.439 2.123 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3csc(C)n3)C[C@H]21 ZINC000959945647 682012832 /nfs/dbraw/zinc/01/28/32/682012832.db2.gz LKHNLCCYMZHIJI-ZBRFXRBCSA-N 0 3 361.511 2.022 20 30 FEEDHN COc1ccc(C(=O)NCC(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000915100142 685512205 /nfs/dbraw/zinc/51/22/05/685512205.db2.gz JDRSYEAKVLZHDL-LBPRGKRZSA-N 0 3 359.407 2.075 20 30 FEEDHN CC(C)(C#N)CS(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000915569686 685516276 /nfs/dbraw/zinc/51/62/76/685516276.db2.gz ZFECJGYBKPCQEZ-LJQANCHMSA-N 0 3 361.511 2.464 20 30 FEEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916911548 685528515 /nfs/dbraw/zinc/52/85/15/685528515.db2.gz MTIGZJFULYXQEW-VHSXEESVSA-N 0 3 363.830 2.297 20 30 FEEDHN C#CCN(C(=O)NCCOc1ccc(F)c(F)c1)C1CCN(C)CC1 ZINC000917163294 685530131 /nfs/dbraw/zinc/53/01/31/685530131.db2.gz OSKBHYLGKKEQTP-UHFFFAOYSA-N 0 3 351.397 2.083 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](N3CCOC3=O)C2)cc1Cl ZINC000852435424 682277952 /nfs/dbraw/zinc/27/79/52/682277952.db2.gz OHKRUWAWAFIZDI-AWEZNQCLSA-N 0 3 362.817 2.067 20 30 FEEDHN C#CCCN(CCOC)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000852748577 682335461 /nfs/dbraw/zinc/33/54/61/682335461.db2.gz DNWMINFWAJQLRH-HNNXBMFYSA-N 0 3 374.250 2.300 20 30 FEEDHN N#CC(C(=O)CCC1CCOCC1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786563516 682385576 /nfs/dbraw/zinc/38/55/76/682385576.db2.gz IJUNKJISKKATQF-CQSZACIVSA-N 0 3 350.365 2.497 20 30 FEEDHN COC(=O)CCN1CCC(N=Nc2ccc(Br)cn2)CC1 ZINC000788714872 682553411 /nfs/dbraw/zinc/55/34/11/682553411.db2.gz NRELBWHGTVCVLE-UHFFFAOYSA-N 0 3 355.236 2.271 20 30 FEEDHN N#CC(C(=O)CC1OCCO1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000796779885 683195011 /nfs/dbraw/zinc/19/50/11/683195011.db2.gz OPSVXYUPXFGFJP-LLVKDONJSA-N 0 3 356.350 2.412 20 30 FEEDHN C=CCN1CC[C@@H](N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000798956599 683408220 /nfs/dbraw/zinc/40/82/20/683408220.db2.gz FXBOBWKIVLZVDB-MRXNPFEDSA-N 0 3 351.491 2.352 20 30 FEEDHN C#CC[C@@H](COC)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000863804861 683774863 /nfs/dbraw/zinc/77/48/63/683774863.db2.gz KJJVTIMSIXJXBU-IRXDYDNUSA-N 0 3 350.409 2.298 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@H](O)c1ccnn1C ZINC000922972695 683814024 /nfs/dbraw/zinc/81/40/24/683814024.db2.gz JNKWNAAXNMPZTL-HNNXBMFYSA-N 0 3 364.243 2.018 20 30 FEEDHN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000865007109 683922142 /nfs/dbraw/zinc/92/21/42/683922142.db2.gz NACYAZOKESTFCR-OCCSQVGLSA-N 0 3 357.882 2.375 20 30 FEEDHN N#C[C@@]1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCCOC1 ZINC000865734773 684020849 /nfs/dbraw/zinc/02/08/49/684020849.db2.gz NVLKGXTYWADAAH-KRWDZBQOSA-N 0 3 351.516 2.175 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000870308210 684704290 /nfs/dbraw/zinc/70/42/90/684704290.db2.gz ILELCURTJOICMK-KMFMINBZSA-N 0 3 364.829 2.107 20 30 FEEDHN Cc1sc(CNCCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000873049329 685059420 /nfs/dbraw/zinc/05/94/20/685059420.db2.gz GAZBCYAUBRSJID-YPKPFQOOSA-N 0 3 370.272 2.435 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000876620010 686229837 /nfs/dbraw/zinc/22/98/37/686229837.db2.gz IREQZIQEKNCJTQ-XJKSGUPXSA-N 0 3 351.878 2.484 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000876686097 686243456 /nfs/dbraw/zinc/24/34/56/686243456.db2.gz PCETZIQWPCLGMM-VHRBIJSZSA-N 0 3 351.834 2.443 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000876686318 686243557 /nfs/dbraw/zinc/24/35/57/686243557.db2.gz UXXIRZUIKBCOSI-NWDGAFQWSA-N 0 3 369.815 2.106 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000876713526 686251444 /nfs/dbraw/zinc/25/14/44/686251444.db2.gz KZDCIGVNEAIYGM-OAHLLOKOSA-N 0 3 353.825 2.147 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000876714850 686251501 /nfs/dbraw/zinc/25/15/01/686251501.db2.gz CWOOKIUXWQEWMW-QGZVFWFLSA-N 0 3 351.878 2.199 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000876753426 686260901 /nfs/dbraw/zinc/26/09/01/686260901.db2.gz KSFMAZKICZTLLM-WMZOPIPTSA-N 0 3 365.905 2.206 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000877248422 686343394 /nfs/dbraw/zinc/34/33/94/686343394.db2.gz MFBJCQJOPGTEBU-VIFPVBQESA-N 0 3 350.772 2.324 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(Br)c(F)c1)C2 ZINC000884108474 687791171 /nfs/dbraw/zinc/79/11/71/687791171.db2.gz CJZJITBWBOMUQF-BGMSHATGSA-N 0 3 366.234 2.344 20 30 FEEDHN CCNC(=O)c1cc(Cl)ccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884121382 687794493 /nfs/dbraw/zinc/79/44/93/687794493.db2.gz NJJWLVPUTLMLTG-BJCXPLBRSA-N 0 3 360.845 2.168 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C2 ZINC000884145183 687799752 /nfs/dbraw/zinc/79/97/52/687799752.db2.gz DUMKBSPNKJDJDI-YZRBJQDESA-N 0 3 369.309 2.469 20 30 FEEDHN CN(Cc1nc(C(F)(F)F)cs1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884164651 687805383 /nfs/dbraw/zinc/80/53/83/687805383.db2.gz MTDJPTPVJKCMCY-XIRUVYRFSA-N 0 3 358.389 2.260 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC000884185194 687810446 /nfs/dbraw/zinc/81/04/46/687810446.db2.gz NEHDMDWTZIZMQF-XAUUPUKJSA-N 0 3 358.873 2.128 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccsc1Br)C2 ZINC000884313119 687844993 /nfs/dbraw/zinc/84/49/93/687844993.db2.gz WSOAXOUEKPCCHE-CVZZAPKMSA-N 0 3 354.273 2.266 20 30 FEEDHN CN(Cc1ccc(Br)o1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884379536 687859264 /nfs/dbraw/zinc/85/92/64/687859264.db2.gz AYRLKMQLNPOGBF-LOIXOFCESA-N 0 3 352.232 2.140 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1cc(F)ccc1OC(F)F)C2 ZINC000884416684 687867164 /nfs/dbraw/zinc/86/71/64/687867164.db2.gz JWJNEFIBJXXVFX-JKGQDXBKSA-N 0 3 353.344 2.183 20 30 FEEDHN CC(C)(CNN=C1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)S(C)(=O)=O ZINC000884451043 687873535 /nfs/dbraw/zinc/87/35/35/687873535.db2.gz AWUAFKHRQNSTOT-WMZOPIPTSA-N 0 3 363.527 2.440 20 30 FEEDHN C#CCN(C(=O)CNC(=O)Nc1cccc(Cl)c1)C1CCN(C)CC1 ZINC000886574392 688278339 /nfs/dbraw/zinc/27/83/39/688278339.db2.gz DGHOSOPEPYSCLF-UHFFFAOYSA-N 0 3 362.861 2.018 20 30 FEEDHN COC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCCOC1 ZINC000886913657 688340111 /nfs/dbraw/zinc/34/01/11/688340111.db2.gz HOILGGRZBKXCHQ-HIFRSBDPSA-N 0 3 351.472 2.206 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCc1ccc(Br)cc1 ZINC000892492794 689203289 /nfs/dbraw/zinc/20/32/89/689203289.db2.gz XVRWKLAQKQBRHT-CQSZACIVSA-N 0 3 367.243 2.243 20 30 FEEDHN N#Cc1c(Br)cccc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897220608 689990104 /nfs/dbraw/zinc/99/01/04/689990104.db2.gz CCHMAMXAQPPWDW-HZPDHXFCSA-N 0 3 350.260 2.356 20 30 FEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000908436333 691678493 /nfs/dbraw/zinc/67/84/93/691678493.db2.gz PPRDEFATQCBSOF-CVEARBPZSA-N 0 3 351.491 2.141 20 30 FEEDHN N#CCc1cncc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903035 721549069 /nfs/dbraw/zinc/54/90/69/721549069.db2.gz BVLPVOLUVBLLDF-FUHWJXTLSA-N 0 3 353.401 2.024 20 30 FEEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000498759723 885703755 /nfs/dbraw/zinc/70/37/55/885703755.db2.gz LNCPNSVCUGNYKI-CYBMUJFWSA-N 0 3 356.405 2.441 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000042019823 540046148 /nfs/dbraw/zinc/04/61/48/540046148.db2.gz DKFLCCRJHYZLCE-CQSZACIVSA-N 0 3 350.422 2.436 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC3(CC2)OCCO3)c(OC)c1 ZINC000047496712 540314219 /nfs/dbraw/zinc/31/42/19/540314219.db2.gz PGKIRMOAMYRHTA-KRWDZBQOSA-N 0 3 363.454 2.002 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccnc1N1CCOCC1)C(C)C ZINC000047852061 540330486 /nfs/dbraw/zinc/33/04/86/540330486.db2.gz YWVHBWVAHKJIDW-IBGZPJMESA-N 0 3 372.513 2.347 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCN(CC3CC3)CC2)c(OC)c1 ZINC000051426647 540434045 /nfs/dbraw/zinc/43/40/45/540434045.db2.gz ZEVDQQKVQBJYPG-LJQANCHMSA-N 0 3 360.498 2.191 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000057154061 540773607 /nfs/dbraw/zinc/77/36/07/540773607.db2.gz RRLWWAXUIUQFDU-GOSISDBHSA-N 0 3 354.429 2.110 20 30 FEEDHN CCCCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C ZINC000059350233 540864224 /nfs/dbraw/zinc/86/42/24/540864224.db2.gz NNKVOTFCHNYIEU-UHFFFAOYSA-N 0 3 361.490 2.404 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000066313959 541300491 /nfs/dbraw/zinc/30/04/91/541300491.db2.gz UNXNJMHUZZJFCB-AZUAARDMSA-N 0 3 359.514 2.463 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000067763880 541509782 /nfs/dbraw/zinc/50/97/82/541509782.db2.gz NMCOCKJTYOFVII-OAHLLOKOSA-N 0 3 372.469 2.132 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1sccc1Br ZINC000068141825 541555067 /nfs/dbraw/zinc/55/50/67/541555067.db2.gz CTGICFGWPISRFD-QMMMGPOBSA-N 0 3 352.275 2.116 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC3(CC1)OCCO3)CCC2 ZINC000046511828 205136898 /nfs/dbraw/zinc/13/68/98/205136898.db2.gz LPOLXQAGVTYEHZ-UHFFFAOYSA-N 0 3 361.467 2.276 20 30 FEEDHN C[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)CCN1Cc1ccccc1 ZINC000072895661 541889605 /nfs/dbraw/zinc/88/96/05/541889605.db2.gz OLSFSCFXEIWFCH-IBGZPJMESA-N 0 3 367.497 2.239 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000073067213 541914953 /nfs/dbraw/zinc/91/49/53/541914953.db2.gz XORLVJYFNQCMLP-SFHVURJKSA-N 0 3 367.449 2.235 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000073067215 541915124 /nfs/dbraw/zinc/91/51/24/541915124.db2.gz XORLVJYFNQCMLP-GOSISDBHSA-N 0 3 367.449 2.235 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000073436930 541954118 /nfs/dbraw/zinc/95/41/18/541954118.db2.gz QDEACSZEPCCQSK-UHFFFAOYSA-N 0 3 357.498 2.418 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000076526143 542288961 /nfs/dbraw/zinc/28/89/61/542288961.db2.gz SWKBIGKWYXWSJW-UHFFFAOYSA-N 0 3 370.453 2.074 20 30 FEEDHN C[C@H]1CN(Cc2ccc(C(=O)NC3(C#N)CCN(C)CC3)cc2)C[C@H](C)O1 ZINC000077039783 542342663 /nfs/dbraw/zinc/34/26/63/542342663.db2.gz FFEOGHXSEVEJNS-IRXDYDNUSA-N 0 3 370.497 2.014 20 30 FEEDHN CN1CCN(C[C@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000079541267 542525153 /nfs/dbraw/zinc/52/51/53/542525153.db2.gz YSKJVKURJVNFNH-QGZVFWFLSA-N 0 3 372.538 2.402 20 30 FEEDHN COC(=O)[C@@H](NCC1(N2CCCC2)CCOCC1)c1cccc(C#N)c1 ZINC000083031355 542690559 /nfs/dbraw/zinc/69/05/59/542690559.db2.gz XPKUCEPDVAKJES-SFHVURJKSA-N 0 3 357.454 2.007 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](c3ccccc3)C2)CC1 ZINC000092618200 542875736 /nfs/dbraw/zinc/87/57/36/542875736.db2.gz MWUQDBPQAXSSFI-VQTJNVASSA-N 0 3 354.498 2.168 20 30 FEEDHN COc1ccc(C(=O)C2CCN(CCC(=O)N(C)CCC#N)CC2)cc1 ZINC000092792920 542887595 /nfs/dbraw/zinc/88/75/95/542887595.db2.gz ROOZVBHLOAWXOG-UHFFFAOYSA-N 0 3 357.454 2.352 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000092797782 542888426 /nfs/dbraw/zinc/88/84/26/542888426.db2.gz QQJFKTQZVBPVDZ-UHFFFAOYSA-N 0 3 357.380 2.370 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCC1(c2ccccc2C)CCOCC1 ZINC000098123358 543023036 /nfs/dbraw/zinc/02/30/36/543023036.db2.gz CKMAJPKFBFYTPW-MRXNPFEDSA-N 0 3 359.470 2.033 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000103632367 543116262 /nfs/dbraw/zinc/11/62/62/543116262.db2.gz RRWLBEWHHKBVSC-UHFFFAOYSA-N 0 3 372.469 2.084 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC3CCN(CC(=C)C)CC3)cc2C1=O ZINC000106038888 543185996 /nfs/dbraw/zinc/18/59/96/543185996.db2.gz AEZNEMWWVWEDTD-UHFFFAOYSA-N 0 3 367.449 2.239 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000106035589 543186185 /nfs/dbraw/zinc/18/61/85/543186185.db2.gz PPIKOGRTHNPHSJ-UHFFFAOYSA-N 0 3 351.378 2.269 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)CC1 ZINC000106037109 543186361 /nfs/dbraw/zinc/18/63/61/543186361.db2.gz AYKKEZLASFVLII-FQEVSTJZSA-N 0 3 355.482 2.117 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000106037739 543186421 /nfs/dbraw/zinc/18/64/21/543186421.db2.gz XWHLWANYRIUAIJ-UHFFFAOYSA-N 0 3 370.428 2.142 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)COc2ccc3ccc(=O)oc3c2)CC1 ZINC000106039764 543186936 /nfs/dbraw/zinc/18/69/36/543186936.db2.gz LETCOCQIGHDZGJ-UHFFFAOYSA-N 0 3 356.422 2.329 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CC1 ZINC000106039075 543187028 /nfs/dbraw/zinc/18/70/28/543187028.db2.gz MXLXYUPAEBGHFN-HXUWFJFHSA-N 0 3 373.497 2.419 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OCC(=O)NCC)c2)CC1 ZINC000106319463 543222887 /nfs/dbraw/zinc/22/28/87/543222887.db2.gz MJPDVIITGVWAFE-UHFFFAOYSA-N 0 3 374.485 2.364 20 30 FEEDHN CC1CCN([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)c2cccs2)CC1 ZINC000106328504 543223617 /nfs/dbraw/zinc/22/36/17/543223617.db2.gz SDCDMJRSLCLGNC-HOTGVXAUSA-N 0 3 362.499 2.455 20 30 FEEDHN CC(C)N(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H](C)O ZINC000107041966 543260146 /nfs/dbraw/zinc/26/01/46/543260146.db2.gz CKRHKAIIDZWFNI-CQSZACIVSA-N 0 3 356.388 2.264 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000108617688 543298232 /nfs/dbraw/zinc/29/82/32/543298232.db2.gz UJYARQCMLKFGKS-QGZVFWFLSA-N 0 3 357.454 2.181 20 30 FEEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000109343001 543322454 /nfs/dbraw/zinc/32/24/54/543322454.db2.gz WKCDQTLFYPMJRH-CQSZACIVSA-N 0 3 358.467 2.361 20 30 FEEDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000111350363 543398907 /nfs/dbraw/zinc/39/89/07/543398907.db2.gz CYGFGUCAJQCSGE-CQSZACIVSA-N 0 3 350.488 2.132 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000111885953 543423174 /nfs/dbraw/zinc/42/31/74/543423174.db2.gz GBAMEQTXQCNUGB-SFHVURJKSA-N 0 3 361.486 2.143 20 30 FEEDHN COc1ccc(C2(CN[C@@H](C)C(=O)N(C)CCC#N)CCOCC2)cc1 ZINC000112535323 543450641 /nfs/dbraw/zinc/45/06/41/543450641.db2.gz WMYRXEGAVOGJTO-INIZCTEOSA-N 0 3 359.470 2.094 20 30 FEEDHN C#CCOc1ccc(CNCc2cccc(C(=O)NCCN(C)C)c2)cc1 ZINC000113334486 543484370 /nfs/dbraw/zinc/48/43/70/543484370.db2.gz JYTVWXQOBOKOHF-UHFFFAOYSA-N 0 3 365.477 2.280 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)CC1 ZINC000114649687 543527684 /nfs/dbraw/zinc/52/76/84/543527684.db2.gz DJLCMDVAZOCRAR-KRWDZBQOSA-N 0 3 356.401 2.068 20 30 FEEDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000118117815 543646403 /nfs/dbraw/zinc/64/64/03/543646403.db2.gz JWQDDVKBFXHEMS-HNNXBMFYSA-N 0 3 360.458 2.154 20 30 FEEDHN CC(C)(O)[C@H]1CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000119116002 543663853 /nfs/dbraw/zinc/66/38/53/543663853.db2.gz QOXJVJVBBKBQCZ-MRXNPFEDSA-N 0 3 368.399 2.408 20 30 FEEDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000120458501 543680064 /nfs/dbraw/zinc/68/00/64/543680064.db2.gz YGASEBXMVBWUTR-WMLDXEAASA-N 0 3 356.470 2.367 20 30 FEEDHN CN(C)C(=O)c1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000122808924 543725027 /nfs/dbraw/zinc/72/50/27/543725027.db2.gz RQTZFYUTFUMRAV-UHFFFAOYSA-N 0 3 365.481 2.296 20 30 FEEDHN N#Cc1ccc2ncc(CNCc3ccccc3CN3CCOCC3)n2c1 ZINC000123184651 543747732 /nfs/dbraw/zinc/74/77/32/543747732.db2.gz LWUOLWFWLXUTFU-UHFFFAOYSA-N 0 3 361.449 2.328 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)CC1 ZINC000121875674 543701193 /nfs/dbraw/zinc/70/11/93/543701193.db2.gz SBNQCRGLVRBQFW-HNNXBMFYSA-N 0 3 363.424 2.372 20 30 FEEDHN C[C@@](C#N)(NC(=O)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C1CC1 ZINC000125651936 543894013 /nfs/dbraw/zinc/89/40/13/543894013.db2.gz ZTKSVNWKJCHCCK-INIZCTEOSA-N 0 3 369.391 2.416 20 30 FEEDHN CCCNC(=O)C1(NC[C@@H](O)COc2ccc(CC#N)cc2)CCCCC1 ZINC000127134719 543974571 /nfs/dbraw/zinc/97/45/71/543974571.db2.gz IOFMEYYAOXPUPA-GOSISDBHSA-N 0 3 373.497 2.311 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@@H]21 ZINC000126880570 543961463 /nfs/dbraw/zinc/96/14/63/543961463.db2.gz ZHNXUOFSMDFREK-WFASDCNBSA-N 0 3 353.875 2.316 20 30 FEEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127777427 544013281 /nfs/dbraw/zinc/01/32/81/544013281.db2.gz UEFLGKSSYRJJKX-IAGOWNOFSA-N 0 3 365.543 2.313 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CN1C1CC1 ZINC000130509065 544153856 /nfs/dbraw/zinc/15/38/56/544153856.db2.gz DFBIPXYTBVWTFG-XKGZKEIXSA-N 0 3 367.497 2.031 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)CC1 ZINC000132946219 544249475 /nfs/dbraw/zinc/24/94/75/544249475.db2.gz SGSDXZNYEKFDKF-UHFFFAOYSA-N 0 3 364.829 2.176 20 30 FEEDHN C=C(C)COCCNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000135030917 544331588 /nfs/dbraw/zinc/33/15/88/544331588.db2.gz HLVMZBVBPQJUHD-UHFFFAOYSA-N 0 3 361.486 2.035 20 30 FEEDHN C=CCc1cc(C(=O)NCCCN2CCC(O)CC2)cc(OC)c1OC ZINC000136136579 544367041 /nfs/dbraw/zinc/36/70/41/544367041.db2.gz JXFCQTJRAVBKAX-UHFFFAOYSA-N 0 3 362.470 2.009 20 30 FEEDHN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153282916 544756041 /nfs/dbraw/zinc/75/60/41/544756041.db2.gz ALNWEWLUHWRWEY-QWHCGFSZSA-N 0 3 372.448 2.133 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000188422224 328086277 /nfs/dbraw/zinc/08/62/77/328086277.db2.gz DZHCBOYZZFKZDI-RTBURBONSA-N 0 3 358.486 2.183 20 30 FEEDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2cccc(C#N)c2C)o1 ZINC000189373303 328143974 /nfs/dbraw/zinc/14/39/74/328143974.db2.gz VMFOUXVIWJMIEM-UHFFFAOYSA-N 0 3 368.437 2.297 20 30 FEEDHN CCN1CCN(Cc2ccc(CNCc3cc(C#N)n(C)c3)cc2)CC1 ZINC000190778121 328232062 /nfs/dbraw/zinc/23/20/62/328232062.db2.gz VNOYRZUQMDORFB-UHFFFAOYSA-N 0 3 351.498 2.324 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000192016391 328294306 /nfs/dbraw/zinc/29/43/06/328294306.db2.gz YINIVKMPMWINIF-UHFFFAOYSA-N 0 3 372.488 2.464 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccnc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000193458678 328376793 /nfs/dbraw/zinc/37/67/93/328376793.db2.gz IHUMSYFLAKASKP-HZPDHXFCSA-N 0 3 356.470 2.305 20 30 FEEDHN N#Cc1cc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)ccn1 ZINC000193488309 328378193 /nfs/dbraw/zinc/37/81/93/328378193.db2.gz MRSURSQMLKJZOD-UHFFFAOYSA-N 0 3 350.422 2.410 20 30 FEEDHN CN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000083537915 325218708 /nfs/dbraw/zinc/21/87/08/325218708.db2.gz KXDGUYWYQWFQGE-LLVKDONJSA-N 0 3 361.389 2.197 20 30 FEEDHN CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)N1CCCC1 ZINC000088771108 325300886 /nfs/dbraw/zinc/30/08/86/325300886.db2.gz FXBBXJXBYJHXEO-INIZCTEOSA-N 0 3 362.861 2.387 20 30 FEEDHN CC(C)CN1CCC[C@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000120183258 326238468 /nfs/dbraw/zinc/23/84/68/326238468.db2.gz FZNMMMICVXJRDN-CQSZACIVSA-N 0 3 353.463 2.344 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@@H]21 ZINC000122320449 326392260 /nfs/dbraw/zinc/39/22/60/326392260.db2.gz RYXCEFQYGVUDKL-WBMJQRKESA-N 0 3 353.875 2.316 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)c1C#N ZINC000125335220 326469842 /nfs/dbraw/zinc/46/98/42/326469842.db2.gz LILRMBJJULBEQD-UHFFFAOYSA-N 0 3 366.421 2.384 20 30 FEEDHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130168695 326552304 /nfs/dbraw/zinc/55/23/04/326552304.db2.gz DQEKREJASHAOCM-UHFFFAOYSA-N 0 3 374.828 2.334 20 30 FEEDHN Cc1cccc(S(=O)(=O)NCc2cccc(OCCN(C)C)c2)c1C#N ZINC000156580612 326836838 /nfs/dbraw/zinc/83/68/38/326836838.db2.gz XINQVXDPZBBZOL-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN CC(C)(C)N1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000156643626 326839125 /nfs/dbraw/zinc/83/91/25/326839125.db2.gz KTMAZOROKBDZPD-UHFFFAOYSA-N 0 3 366.443 2.008 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000163784622 327058716 /nfs/dbraw/zinc/05/87/16/327058716.db2.gz PTBIUSUJNWXBBO-INIZCTEOSA-N 0 3 365.474 2.335 20 30 FEEDHN C[C@H]1CN(CC2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000171224979 327125657 /nfs/dbraw/zinc/12/56/57/327125657.db2.gz RKXFIAWYPWPJNX-IRXDYDNUSA-N 0 3 355.482 2.449 20 30 FEEDHN COCCN1CCC(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000171230886 327126112 /nfs/dbraw/zinc/12/61/12/327126112.db2.gz WSWXVYSWTLQPTK-UHFFFAOYSA-N 0 3 368.384 2.392 20 30 FEEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000176096681 327434022 /nfs/dbraw/zinc/43/40/22/327434022.db2.gz IVRHIXUAVLVCEP-UHFFFAOYSA-N 0 3 368.412 2.322 20 30 FEEDHN COCCN(CCN(C)C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000264218188 329001085 /nfs/dbraw/zinc/00/10/85/329001085.db2.gz VMSFBJMSNAKJPD-UHFFFAOYSA-N 0 3 371.437 2.380 20 30 FEEDHN COC(=O)C1CCN(CCCNc2c(C#N)nnc3ccccc32)CC1 ZINC000265861598 329167323 /nfs/dbraw/zinc/16/73/23/329167323.db2.gz GTMOIKQQFRUKND-UHFFFAOYSA-N 0 3 353.426 2.188 20 30 FEEDHN CC(C)N1CCC(N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000268194868 329395654 /nfs/dbraw/zinc/39/56/54/329395654.db2.gz QFTSLGWWSSQRMW-UHFFFAOYSA-N 0 3 357.426 2.330 20 30 FEEDHN CCN(CC)C(=O)C[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272480297 329784466 /nfs/dbraw/zinc/78/44/66/329784466.db2.gz AWNMCUZAJGUUDL-CRAIPNDOSA-N 0 3 356.470 2.290 20 30 FEEDHN CN1CCC2(CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)CC1 ZINC000367202147 330229497 /nfs/dbraw/zinc/22/94/97/330229497.db2.gz YDLVXIPGHLYXAD-UHFFFAOYSA-N 0 3 361.511 2.140 20 30 FEEDHN CN(C)Cc1cccc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000328637215 521910504 /nfs/dbraw/zinc/91/05/04/521910504.db2.gz OLULAINJNHVLJL-UHFFFAOYSA-N 0 3 359.470 2.380 20 30 FEEDHN CN(C)Cc1cccc(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000328637215 521910514 /nfs/dbraw/zinc/91/05/14/521910514.db2.gz OLULAINJNHVLJL-UHFFFAOYSA-N 0 3 359.470 2.380 20 30 FEEDHN CC(C)N1CCCC[C@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000156167635 545604251 /nfs/dbraw/zinc/60/42/51/545604251.db2.gz GGCWVELNBWGCGS-SFHVURJKSA-N 0 3 355.486 2.301 20 30 FEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161294854 546118206 /nfs/dbraw/zinc/11/82/06/546118206.db2.gz FDFXEUYQWQCMQX-UHFFFAOYSA-N 0 3 355.829 2.367 20 30 FEEDHN N#CC1(NC(=O)CCCN2CCN(c3ccccc3)CC2)CCSCC1 ZINC000162578750 546139879 /nfs/dbraw/zinc/13/98/79/546139879.db2.gz MRLYCDMXQJUHLG-UHFFFAOYSA-N 0 3 372.538 2.494 20 30 FEEDHN N=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)Nc1ccccn1 ZINC000170910709 546181591 /nfs/dbraw/zinc/18/15/91/546181591.db2.gz UNWFMQNGCALOMU-GFCCVEGCSA-N 0 3 354.332 2.267 20 30 FEEDHN COCCCN1CCC(NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000171123668 546191707 /nfs/dbraw/zinc/19/17/07/546191707.db2.gz TULPFYVKZFVUHC-UHFFFAOYSA-N 0 3 361.511 2.409 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccnc2N2CCN(C)CC2)cc1 ZINC000171563462 546213847 /nfs/dbraw/zinc/21/38/47/546213847.db2.gz WQTRYJIXORRJOL-KRWDZBQOSA-N 0 3 365.481 2.414 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)CC1 ZINC000171632999 546217409 /nfs/dbraw/zinc/21/74/09/546217409.db2.gz NRCNFEDAHNHWBM-HNNXBMFYSA-N 0 3 353.532 2.091 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)CC1 ZINC000171715577 546220486 /nfs/dbraw/zinc/22/04/86/546220486.db2.gz WAGRHADPGPYJBF-GOSISDBHSA-N 0 3 368.485 2.304 20 30 FEEDHN N#CC1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCOCC1 ZINC000171763266 546224652 /nfs/dbraw/zinc/22/46/52/546224652.db2.gz IAUYAXMEJRRTFL-UHFFFAOYSA-N 0 3 370.497 2.025 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1)C(C)C ZINC000171980519 546232468 /nfs/dbraw/zinc/23/24/68/546232468.db2.gz IGVRUQSEASWCFO-SFHVURJKSA-N 0 3 354.458 2.091 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000175322795 546308947 /nfs/dbraw/zinc/30/89/47/546308947.db2.gz ZRDIGPMCAOJSGG-OAHLLOKOSA-N 0 3 352.438 2.183 20 30 FEEDHN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000175943279 546377116 /nfs/dbraw/zinc/37/71/16/546377116.db2.gz YODOOLVZRFMLQR-UHFFFAOYSA-N 0 3 354.385 2.014 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000176553693 546460908 /nfs/dbraw/zinc/46/09/08/546460908.db2.gz RCBLSWIKARYINV-CABCVRRESA-N 0 3 360.845 2.235 20 30 FEEDHN COC(=O)[C@]1(C)CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000177422126 546614889 /nfs/dbraw/zinc/61/48/89/546614889.db2.gz CXVYYJZUCDYJCN-GOSISDBHSA-N 0 3 361.467 2.322 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)c(F)c1 ZINC000481024526 561223169 /nfs/dbraw/zinc/22/31/69/561223169.db2.gz KYSMHZXDWYZVHU-INIZCTEOSA-N 0 3 351.447 2.087 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000178448881 546796163 /nfs/dbraw/zinc/79/61/63/546796163.db2.gz RNHOMRYPTWCYEQ-AWEZNQCLSA-N 0 3 356.470 2.432 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000178814942 546854756 /nfs/dbraw/zinc/85/47/56/546854756.db2.gz JGQYDLSPGWGHTP-NSHDSACASA-N 0 3 356.392 2.300 20 30 FEEDHN COCCOc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000179829809 547018929 /nfs/dbraw/zinc/01/89/29/547018929.db2.gz CHPFVKAMTHDEJP-AWEZNQCLSA-N 0 3 350.378 2.484 20 30 FEEDHN C[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(-n2cccn2)cc1 ZINC000180852848 547195007 /nfs/dbraw/zinc/19/50/07/547195007.db2.gz CXCPOXQUDJMYRK-INIZCTEOSA-N 0 3 350.426 2.179 20 30 FEEDHN CNS(=O)(=O)c1ccc([C@H](C)NCCOc2ccccc2C#N)cc1 ZINC000181052900 547240244 /nfs/dbraw/zinc/24/02/44/547240244.db2.gz ZVBZJWSTFOEKSD-AWEZNQCLSA-N 0 3 359.451 2.196 20 30 FEEDHN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000181522048 547328761 /nfs/dbraw/zinc/32/87/61/547328761.db2.gz PHQKHZJDPVYNOF-HNNXBMFYSA-N 0 3 352.442 2.261 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)C[C@@H]1N1CCCC1 ZINC000483390720 561275466 /nfs/dbraw/zinc/27/54/66/561275466.db2.gz CTYBZYGDWZQPKM-UONOGXRCSA-N 0 3 350.875 2.258 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCOC2)cc1 ZINC000483614954 561280776 /nfs/dbraw/zinc/28/07/76/561280776.db2.gz BIVMGOZZRDREGW-TZMCWYRMSA-N 0 3 351.428 2.015 20 30 FEEDHN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(-n2ccnn2)cc1 ZINC000182050076 547429538 /nfs/dbraw/zinc/42/95/38/547429538.db2.gz BENLUHWNVSIVSV-OAHLLOKOSA-N 0 3 352.442 2.261 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(CC(=O)N(C)C)CC1 ZINC000182210291 547454173 /nfs/dbraw/zinc/45/41/73/547454173.db2.gz WMJVMBFKTNTFSQ-IBGZPJMESA-N 0 3 360.498 2.345 20 30 FEEDHN C=C(C)COCCNC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000182723390 547541356 /nfs/dbraw/zinc/54/13/56/547541356.db2.gz JLTAHCKSJZDCSN-IBGZPJMESA-N 0 3 361.486 2.035 20 30 FEEDHN CN(CCCN1CCN(C)CC1)Cc1ccc(C#N)cc1Br ZINC000182967657 547581008 /nfs/dbraw/zinc/58/10/08/547581008.db2.gz XLAQGVVCJUOKKM-UHFFFAOYSA-N 0 3 365.319 2.390 20 30 FEEDHN N#CC(C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1nnc2n1CCCCC2 ZINC000183514186 547673314 /nfs/dbraw/zinc/67/33/14/547673314.db2.gz RYAACLJTDQODOY-LSDHHAIUSA-N 0 3 367.409 2.057 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183684845 547701579 /nfs/dbraw/zinc/70/15/79/547701579.db2.gz MRBHKTNZVWZWDS-ZIAGYGMSSA-N 0 3 355.442 2.232 20 30 FEEDHN COC(=O)c1cn(C2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)nn1 ZINC000184756069 547875856 /nfs/dbraw/zinc/87/58/56/547875856.db2.gz ZUGUDWTVNDXTHC-AWEZNQCLSA-N 0 3 369.425 2.193 20 30 FEEDHN CCOC(=O)C[C@](C)(NCCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000186714059 548179451 /nfs/dbraw/zinc/17/94/51/548179451.db2.gz JVRMXYHNXMHCKO-SFHVURJKSA-N 0 3 366.483 2.289 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188569560 548282583 /nfs/dbraw/zinc/28/25/83/548282583.db2.gz SCZSEMGMZYCPDL-CJNGLKHVSA-N 0 3 363.424 2.420 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)nn(C)c1-n1cccn1)C(C)C ZINC000189488846 548303241 /nfs/dbraw/zinc/30/32/41/548303241.db2.gz BGNJENUUTKGNGY-QGZVFWFLSA-N 0 3 370.501 2.343 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000190026795 548316248 /nfs/dbraw/zinc/31/62/48/548316248.db2.gz DDHYHZDEEXVBPR-HZPDHXFCSA-N 0 3 370.453 2.003 20 30 FEEDHN C=CCN(CCOC)CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000191145218 548341148 /nfs/dbraw/zinc/34/11/48/548341148.db2.gz UPDUNEOHHIBTJH-UHFFFAOYSA-N 0 3 359.514 2.210 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000192121613 548358924 /nfs/dbraw/zinc/35/89/24/548358924.db2.gz DVPHGGISPAMJMJ-UHFFFAOYSA-N 0 3 372.513 2.498 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000246004508 549034083 /nfs/dbraw/zinc/03/40/83/549034083.db2.gz GWKSKWZNAZMXME-MJBXVCDLSA-N 0 3 360.433 2.118 20 30 FEEDHN COc1cccc(C[C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000488480714 561390553 /nfs/dbraw/zinc/39/05/53/561390553.db2.gz FIMMNBYHUYEEKU-DNVCBOLYSA-N 0 3 364.449 2.284 20 30 FEEDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000246498420 549147668 /nfs/dbraw/zinc/14/76/68/549147668.db2.gz XQYLXUVOCQYPMR-KGLIPLIRSA-N 0 3 353.875 2.459 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)N2CCC(C#N)CC2)c1 ZINC000489735022 561417954 /nfs/dbraw/zinc/41/79/54/561417954.db2.gz DQJWQSPKPJLHSQ-UHFFFAOYSA-N 0 3 374.485 2.089 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000253357943 549683477 /nfs/dbraw/zinc/68/34/77/549683477.db2.gz JNWYZWGJWRBQAQ-HUUCEWRRSA-N 0 3 372.469 2.132 20 30 FEEDHN C=CCc1cc(C(=O)NCCN(C)CCCOC)cc(OC)c1OC ZINC000266158886 550018051 /nfs/dbraw/zinc/01/80/51/550018051.db2.gz NVVYHFDSQUAMKQ-UHFFFAOYSA-N 0 3 350.459 2.130 20 30 FEEDHN CN(C)Cc1ccc(C(N)=NOCC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000267030369 550027292 /nfs/dbraw/zinc/02/72/92/550027292.db2.gz VGDPYHXMWZZXRE-UHFFFAOYSA-N 0 3 358.486 2.319 20 30 FEEDHN COCCN1CC[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267655872 550034335 /nfs/dbraw/zinc/03/43/35/550034335.db2.gz COUJHGGHOSWYAJ-INIZCTEOSA-N 0 3 369.387 2.077 20 30 FEEDHN C[C@H](CN1CCN(c2ccccn2)CC1)NCc1ccc(C#N)cc1F ZINC000269439182 550196175 /nfs/dbraw/zinc/19/61/75/550196175.db2.gz SDLQTAUMMHOEDK-MRXNPFEDSA-N 0 3 353.445 2.393 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](CC)[C@H](O)c2c(F)cccc2F)CC1 ZINC000269606220 550209967 /nfs/dbraw/zinc/20/99/67/550209967.db2.gz VOUDWXWKLUZHMD-AEFFLSMTSA-N 0 3 350.409 2.238 20 30 FEEDHN N#Cc1ccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000270572719 550284715 /nfs/dbraw/zinc/28/47/15/550284715.db2.gz BUPDJVMQBKEWNS-LEWJYISDSA-N 0 3 363.461 2.100 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2nnc(CCc3ccccc3)o2)CC1 ZINC000494127722 561463128 /nfs/dbraw/zinc/46/31/28/561463128.db2.gz OELCMJMJNAULIY-UHFFFAOYSA-N 0 3 369.469 2.304 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCc3ccc(C(=O)OC)cc3C2)CC1 ZINC000271517120 550381955 /nfs/dbraw/zinc/38/19/55/550381955.db2.gz QAXMWKAGMOOECS-UHFFFAOYSA-N 0 3 357.454 2.191 20 30 FEEDHN N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000273252984 550491914 /nfs/dbraw/zinc/49/19/14/550491914.db2.gz VFXJRCPFIFDAEC-QGZVFWFLSA-N 0 3 353.382 2.040 20 30 FEEDHN COc1ccc(C(=O)C(=O)N(CCC#N)CCCN(C)C)cc1Cl ZINC000274134125 550524690 /nfs/dbraw/zinc/52/46/90/550524690.db2.gz CJDBLIUBPPOFJH-UHFFFAOYSA-N 0 3 351.834 2.225 20 30 FEEDHN CN(C)C1(C#N)CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000275009377 550570112 /nfs/dbraw/zinc/57/01/12/550570112.db2.gz DWZXJZWESUEBGL-ZWKOTPCHSA-N 0 3 355.486 2.061 20 30 FEEDHN CS[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1N1CCCC1 ZINC000275102448 550570544 /nfs/dbraw/zinc/57/05/44/550570544.db2.gz QVLWLCNKXQHWGQ-RTBURBONSA-N 0 3 372.538 2.445 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000278302162 550770746 /nfs/dbraw/zinc/77/07/46/550770746.db2.gz SMYMZGGDGDYDJL-QXAKKESOSA-N 0 3 371.481 2.304 20 30 FEEDHN C[C@H]1CN(CCCNC(=O)/C=C/c2ccc(OCC#N)cc2)CCCO1 ZINC000278682816 550811026 /nfs/dbraw/zinc/81/10/26/550811026.db2.gz ULVJGBFHLYIORE-NADMHLTPSA-N 0 3 357.454 2.219 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278758628 550818930 /nfs/dbraw/zinc/81/89/30/550818930.db2.gz BJJJNPUVGQEENY-MRXNPFEDSA-N 0 3 357.502 2.407 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)c2ccccc2OCCN(C)C)n1 ZINC000279132542 550857678 /nfs/dbraw/zinc/85/76/78/550857678.db2.gz NJMWGLIJDHHMEF-UHFFFAOYSA-N 0 3 354.454 2.119 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000279177284 550862044 /nfs/dbraw/zinc/86/20/44/550862044.db2.gz GKEKDOCWDKHCDH-IBGZPJMESA-N 0 3 365.481 2.322 20 30 FEEDHN COC(=O)[C@@]1(C)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279356272 550881209 /nfs/dbraw/zinc/88/12/09/550881209.db2.gz GSSTTYVJKOOAOD-IBGZPJMESA-N 0 3 353.426 2.244 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC000279570579 550904345 /nfs/dbraw/zinc/90/43/45/550904345.db2.gz PRCUJAWAPQIFHV-SFHVURJKSA-N 0 3 352.438 2.149 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CC1 ZINC000280212948 550972175 /nfs/dbraw/zinc/97/21/75/550972175.db2.gz QHMNTHNIMIZJOB-OAHLLOKOSA-N 0 3 361.490 2.476 20 30 FEEDHN Cc1cc([C@](C)(O)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)o1 ZINC000280295694 550977756 /nfs/dbraw/zinc/97/77/56/550977756.db2.gz GYIHPPYYRFWAFS-YLJYHZDGSA-N 0 3 351.406 2.474 20 30 FEEDHN Cc1cc([C@](C)(O)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)o1 ZINC000280295681 550977792 /nfs/dbraw/zinc/97/77/92/550977792.db2.gz GYIHPPYYRFWAFS-FXAWDEMLSA-N 0 3 351.406 2.474 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000280343388 550982973 /nfs/dbraw/zinc/98/29/73/550982973.db2.gz JZSPGOBVUQCLNV-MOPGFXCFSA-N 0 3 365.408 2.347 20 30 FEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000280667775 551019422 /nfs/dbraw/zinc/01/94/22/551019422.db2.gz VNOXHFNKVVCVLG-YLJYHZDGSA-N 0 3 353.422 2.037 20 30 FEEDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cc(C#N)oc1C ZINC000280753146 551028552 /nfs/dbraw/zinc/02/85/52/551028552.db2.gz MOAXMKLPHOPSQZ-OAHLLOKOSA-N 0 3 361.442 2.339 20 30 FEEDHN N#CC(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nnc2n1CCCCC2 ZINC000496567469 561494582 /nfs/dbraw/zinc/49/45/82/561494582.db2.gz DJKLOJJZAKYFDJ-NSHDSACASA-N 0 3 369.337 2.131 20 30 FEEDHN COc1ccccc1CN(CCO)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281359120 551088235 /nfs/dbraw/zinc/08/82/35/551088235.db2.gz ALPKOIVUENAOCL-IBGZPJMESA-N 0 3 363.417 2.270 20 30 FEEDHN N#CC(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nnc2n1CCCCC2 ZINC000496567468 561494672 /nfs/dbraw/zinc/49/46/72/561494672.db2.gz DJKLOJJZAKYFDJ-LLVKDONJSA-N 0 3 369.337 2.131 20 30 FEEDHN C#C[C@H](NC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C(C)C ZINC000281521473 551108362 /nfs/dbraw/zinc/10/83/62/551108362.db2.gz LSRCKVMODKAQBY-IBGZPJMESA-N 0 3 371.481 2.264 20 30 FEEDHN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000281522498 551108533 /nfs/dbraw/zinc/10/85/33/551108533.db2.gz SMBLUSRAIUUWMT-SFHVURJKSA-N 0 3 372.513 2.234 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CCC(=O)Nc2ccccc2C#N)O1 ZINC000282348791 551215302 /nfs/dbraw/zinc/21/53/02/551215302.db2.gz CLQRKYMBYDMHLX-PILAGYSTSA-N 0 3 371.437 2.070 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000283706316 551413215 /nfs/dbraw/zinc/41/32/15/551413215.db2.gz IWSWEYIYSBAHPS-LJQANCHMSA-N 0 3 355.482 2.411 20 30 FEEDHN C[C@H](NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1)c1ccc(C#N)cc1 ZINC000283977702 551460788 /nfs/dbraw/zinc/46/07/88/551460788.db2.gz LUZPVFOPGCFDFJ-LPHOPBHVSA-N 0 3 368.481 2.212 20 30 FEEDHN C[C@@H](NC(=O)C(=O)NCc1cccc(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000284054208 551475378 /nfs/dbraw/zinc/47/53/78/551475378.db2.gz QHSGNRMVQNSIRG-OAHLLOKOSA-N 0 3 364.449 2.113 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cnn(Cc3ccc(OC)cc3)c2)CC1 ZINC000285106119 551705137 /nfs/dbraw/zinc/70/51/37/551705137.db2.gz GQDOIDGAPILSJA-UHFFFAOYSA-N 0 3 352.438 2.224 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H]1CCC[C@H]1CCO ZINC000285585269 551778870 /nfs/dbraw/zinc/77/88/70/551778870.db2.gz BEMOAPPIRYHCST-ULQDDVLXSA-N 0 3 359.470 2.471 20 30 FEEDHN N#CCC[C@@H](C#N)CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286072025 551845617 /nfs/dbraw/zinc/84/56/17/551845617.db2.gz RXWFGYUZKQCYPQ-SFTDATJTSA-N 0 3 351.498 2.322 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000286743376 551920975 /nfs/dbraw/zinc/92/09/75/551920975.db2.gz OOAKFMAROVDLDM-WFASDCNBSA-N 0 3 353.875 2.459 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000286819944 551929407 /nfs/dbraw/zinc/92/94/07/551929407.db2.gz WGBIWNUGCGDHPK-UHFFFAOYSA-N 0 3 371.481 2.024 20 30 FEEDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CCO[C@H](C#N)C2)N(C)C)cc1 ZINC000287881948 552058240 /nfs/dbraw/zinc/05/82/40/552058240.db2.gz FPCUZVHNYLAJDR-MSOLQXFVSA-N 0 3 360.458 2.010 20 30 FEEDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000288866303 552226921 /nfs/dbraw/zinc/22/69/21/552226921.db2.gz QHBLISDHOJDMJX-LSDHHAIUSA-N 0 3 360.458 2.153 20 30 FEEDHN C=CCCCNC(=O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000289874857 552392954 /nfs/dbraw/zinc/39/29/54/552392954.db2.gz WSJMWCUTXVYVGS-UHFFFAOYSA-N 0 3 358.486 2.229 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(F)c(F)cc2OC)CC1 ZINC000290170185 552437800 /nfs/dbraw/zinc/43/78/00/552437800.db2.gz FCGUOZWQWVDLSA-UHFFFAOYSA-N 0 3 367.396 2.069 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(C2CCOCC2)nn1)C(C)C ZINC000290218896 552444155 /nfs/dbraw/zinc/44/41/55/552444155.db2.gz WCYUKPKFUXZZBT-SFHVURJKSA-N 0 3 361.490 2.058 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000500777859 561582000 /nfs/dbraw/zinc/58/20/00/561582000.db2.gz YUVWXARMDZWWEX-INIZCTEOSA-N 0 3 352.438 2.311 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)Cn1cccn1 ZINC000501236640 561592929 /nfs/dbraw/zinc/59/29/29/561592929.db2.gz SRSAMNXVHSBDMV-CVEARBPZSA-N 0 3 355.442 2.205 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@H](O)COCc3ccccc3F)C2)nc1 ZINC000292096137 552693382 /nfs/dbraw/zinc/69/33/82/552693382.db2.gz FXPICIPBWBOWPO-ZWKOTPCHSA-N 0 3 371.412 2.123 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000501638566 561602652 /nfs/dbraw/zinc/60/26/52/561602652.db2.gz KRGZBVUYPBBLMT-GOSISDBHSA-N 0 3 373.497 2.217 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC2CCN(C3CCCC3)CC2)cc1F ZINC000293605583 552839935 /nfs/dbraw/zinc/83/99/35/552839935.db2.gz YAIAZFFKOYQWIO-UHFFFAOYSA-N 0 3 351.447 2.383 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000293989876 552873357 /nfs/dbraw/zinc/87/33/57/552873357.db2.gz NUOWZOOXIQETOP-SFHVURJKSA-N 0 3 370.497 2.310 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCC[C@@H](C)C1 ZINC000294338694 552898114 /nfs/dbraw/zinc/89/81/14/552898114.db2.gz JRMVCEVEORUYQX-ZIAGYGMSSA-N 0 3 353.463 2.237 20 30 FEEDHN COc1cc(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1O ZINC000294643305 552923009 /nfs/dbraw/zinc/92/30/09/552923009.db2.gz ZMDIWKDYSHDSFW-UHFFFAOYSA-N 0 3 367.449 2.405 20 30 FEEDHN C[C@H]1CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCN(C2CC2)C1 ZINC000295260501 552977658 /nfs/dbraw/zinc/97/76/58/552977658.db2.gz FZBCHMLQSKTCJN-NVXWUHKLSA-N 0 3 370.472 2.466 20 30 FEEDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000296159684 553114291 /nfs/dbraw/zinc/11/42/91/553114291.db2.gz UMKGZTQMTWAKAA-JEBQAFNWSA-N 0 3 367.453 2.332 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](Cn2ccnn2)C1)C(C)C ZINC000502629237 561622464 /nfs/dbraw/zinc/62/24/64/561622464.db2.gz AYXTTWPSRAZZRO-RBUKOAKNSA-N 0 3 374.533 2.398 20 30 FEEDHN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000296567979 553181030 /nfs/dbraw/zinc/18/10/30/553181030.db2.gz SRJWEIPIDKRWRY-CYBMUJFWSA-N 0 3 368.384 2.128 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000297484317 553298456 /nfs/dbraw/zinc/29/84/56/553298456.db2.gz MUUIWYAKUJCMPE-AABGKKOBSA-N 0 3 355.482 2.156 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000299446936 553564430 /nfs/dbraw/zinc/56/44/30/553564430.db2.gz WHOSBSGUCRZMQK-UHFFFAOYSA-N 0 3 374.828 2.005 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1 ZINC000299582160 553584396 /nfs/dbraw/zinc/58/43/96/553584396.db2.gz CBAPJIZUYRMQNY-UHFFFAOYSA-N 0 3 371.462 2.166 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301398087 553648416 /nfs/dbraw/zinc/64/84/16/553648416.db2.gz HHFMIFVXKDMQDL-UHFFFAOYSA-N 0 3 351.454 2.097 20 30 FEEDHN Cc1nnc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(C#N)c1C ZINC000302477321 553717961 /nfs/dbraw/zinc/71/79/61/553717961.db2.gz VPKWWSWMBBYQMG-FQEVSTJZSA-N 0 3 351.454 2.038 20 30 FEEDHN CC[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)N(CC)CC ZINC000505668014 561676952 /nfs/dbraw/zinc/67/69/52/561676952.db2.gz COTRCIOJHUTRKO-QZTJIDSGSA-N 0 3 356.470 2.290 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000327042370 553785235 /nfs/dbraw/zinc/78/52/35/553785235.db2.gz PXUGOAZVDCJOAJ-UHFFFAOYSA-N 0 3 359.407 2.072 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cnn(C)c1 ZINC000328619291 553797330 /nfs/dbraw/zinc/79/73/30/553797330.db2.gz FRDOKTDCGNDOTC-MAUKXSAKSA-N 0 3 354.458 2.165 20 30 FEEDHN CSC[C@@H](C)C(=O)N1CCC(C(=O)NCC2=CCN(C)CC2)CC1 ZINC000328650005 553802691 /nfs/dbraw/zinc/80/26/91/553802691.db2.gz AULUSIPCCMKAQG-CQSZACIVSA-N 0 3 353.532 2.443 20 30 FEEDHN C[C@H](NC(=O)CN[C@@H]1CCCC12CCOCC2)C(=O)N1CCCCC1 ZINC000328660129 553803870 /nfs/dbraw/zinc/80/38/70/553803870.db2.gz UWFDDAXWZACHMB-JKSUJKDBSA-N 0 3 351.491 2.283 20 30 FEEDHN C=CCN1CC[C@@H](N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)C1=O ZINC000328779017 553821133 /nfs/dbraw/zinc/82/11/33/553821133.db2.gz IUIMAVHPHBNTBQ-JXXFODFXSA-N 0 3 356.470 2.163 20 30 FEEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328844437 553831318 /nfs/dbraw/zinc/83/13/18/553831318.db2.gz VDSQNIDRACGQLN-BVUBDWEXSA-N 0 3 362.426 2.254 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000328890974 553839743 /nfs/dbraw/zinc/83/97/43/553839743.db2.gz SDMKYDBXDSYAKY-IIDMSEBBSA-N 0 3 361.490 2.161 20 30 FEEDHN CN1CCOC[C@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000328928217 553846354 /nfs/dbraw/zinc/84/63/54/553846354.db2.gz GJOAQCLTUUDTEA-KRWDZBQOSA-N 0 3 360.458 2.352 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1COc2cc(OC)ccc2C1 ZINC000329015127 553865159 /nfs/dbraw/zinc/86/51/59/553865159.db2.gz PZSAIURKDUPOEC-ZACQAIPSSA-N 0 3 359.470 2.471 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000329033808 553868293 /nfs/dbraw/zinc/86/82/93/553868293.db2.gz MDSOEFMGIMRSTJ-XWTMOSNGSA-N 0 3 353.507 2.291 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000329082721 553876975 /nfs/dbraw/zinc/87/69/75/553876975.db2.gz SJYMXZBERIQXDK-INIZCTEOSA-N 0 3 356.470 2.266 20 30 FEEDHN CN1CCC2(CCCN2C(=O)NCCc2nnc3n2CCCCC3)CC1 ZINC000329086222 553877854 /nfs/dbraw/zinc/87/78/54/553877854.db2.gz URCUDALPGNGVHW-UHFFFAOYSA-N 0 3 360.506 2.021 20 30 FEEDHN CC(=O)N1CC[C@@H](CN(C)C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000329137566 553887521 /nfs/dbraw/zinc/88/75/21/553887521.db2.gz HRGPKQZZYUBOQC-SFHVURJKSA-N 0 3 373.501 2.012 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000329167031 553894122 /nfs/dbraw/zinc/89/41/22/553894122.db2.gz IFTDMSMHLGCOTB-UHFFFAOYSA-N 0 3 371.485 2.391 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000329171024 553894288 /nfs/dbraw/zinc/89/42/88/553894288.db2.gz JWQWGYULPDTHKF-TXTZMMAHSA-N 0 3 351.491 2.043 20 30 FEEDHN CC(C)N1C(=O)N[C@@H]2CN(C(=O)C(C#N)CCc3ccccc3)CC[C@@H]21 ZINC000329176788 553896052 /nfs/dbraw/zinc/89/60/52/553896052.db2.gz LVWRNNOYUIXMHQ-KURKYZTESA-N 0 3 354.454 2.366 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@@H](C)NC(=O)C2CCCC2)C1 ZINC000329197649 553900636 /nfs/dbraw/zinc/90/06/36/553900636.db2.gz UITUCXQUWDPILV-PVAVHDDUSA-N 0 3 351.491 2.233 20 30 FEEDHN CC(C)C(=O)N1CCC(NC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000329289349 553918417 /nfs/dbraw/zinc/91/84/17/553918417.db2.gz MYWBWMRSTHIOGM-KRWDZBQOSA-N 0 3 350.507 2.108 20 30 FEEDHN CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)N(C)C1 ZINC000329364663 553933329 /nfs/dbraw/zinc/93/33/29/553933329.db2.gz JPEQZCUNKZRSDP-TTZDDIAXSA-N 0 3 354.495 2.085 20 30 FEEDHN CN1C[C@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCC1=O ZINC000329460892 553951212 /nfs/dbraw/zinc/95/12/12/553951212.db2.gz SEFBGFOUBSVERA-QZTJIDSGSA-N 0 3 358.486 2.166 20 30 FEEDHN O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000329548869 553965654 /nfs/dbraw/zinc/96/56/54/553965654.db2.gz BIWCOPPWSOEISQ-GDBMZVCRSA-N 0 3 362.474 2.231 20 30 FEEDHN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000329548869 553965657 /nfs/dbraw/zinc/96/56/57/553965657.db2.gz BIWCOPPWSOEISQ-GDBMZVCRSA-N 0 3 362.474 2.231 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCCC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329577725 553970574 /nfs/dbraw/zinc/97/05/74/553970574.db2.gz SVPBHKRIVXOCDO-BBWFWOEESA-N 0 3 367.559 2.355 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000329717650 553994694 /nfs/dbraw/zinc/99/46/94/553994694.db2.gz XUTCVIVGPITOEU-XMTFNYHQSA-N 0 3 353.507 2.027 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329803892 554008481 /nfs/dbraw/zinc/00/84/81/554008481.db2.gz JYOZFCRTZIKBNA-RBAQFSTRSA-N 0 3 373.497 2.349 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCN1C ZINC000329818336 554011500 /nfs/dbraw/zinc/01/15/00/554011500.db2.gz XALCJMVJEUSQLF-XLIONFOSSA-N 0 3 369.513 2.463 20 30 FEEDHN Cn1nnc2c1C[C@H](C(=O)NCC1(N3CCSCC3)CCCC1)CC2 ZINC000329831752 554014484 /nfs/dbraw/zinc/01/44/84/554014484.db2.gz KDNMNNQBFUZMBP-CQSZACIVSA-N 0 3 363.531 2.238 20 30 FEEDHN CC(=O)N1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000329888230 554025292 /nfs/dbraw/zinc/02/52/92/554025292.db2.gz YOQVXVZBTFJUAD-UHFFFAOYSA-N 0 3 358.486 2.166 20 30 FEEDHN CCN1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000329973687 554042415 /nfs/dbraw/zinc/04/24/15/554042415.db2.gz WYGNJTFQICCZAU-IRXDYDNUSA-N 0 3 362.522 2.123 20 30 FEEDHN CCc1nnc(-c2ccc(NC(=O)NCC3(O)CCN(C)CC3)cc2)o1 ZINC000329998241 554046801 /nfs/dbraw/zinc/04/68/01/554046801.db2.gz RYZSBNHGXIEGLP-UHFFFAOYSA-N 0 3 359.430 2.082 20 30 FEEDHN CN(C)[C@]1(CNC(=O)c2cnc(-c3cnn(C)c3)s2)CCSC1 ZINC000330053238 554056087 /nfs/dbraw/zinc/05/60/87/554056087.db2.gz QDWYSDNIWZFXIV-HNNXBMFYSA-N 0 3 351.501 2.286 20 30 FEEDHN CC(=O)N1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000330062399 554057513 /nfs/dbraw/zinc/05/75/13/554057513.db2.gz PFGXYBNMFHHNNK-GPMSIDNRSA-N 0 3 358.486 2.289 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(SCCOC)cc1 ZINC000507550282 561732779 /nfs/dbraw/zinc/73/27/79/561732779.db2.gz LRZKUMBSSBFACJ-KBPBESRZSA-N 0 3 365.499 2.476 20 30 FEEDHN CC(=O)N[C@H](C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C1CCCC1 ZINC000330124364 554069199 /nfs/dbraw/zinc/06/91/99/554069199.db2.gz BBFCBMDQHIUFQL-KSSFIOAISA-N 0 3 351.491 2.233 20 30 FEEDHN CC(C(=O)N[C@@H]1CCCC[C@H]1n1cccn1)S(=O)(=O)C1CCOCC1 ZINC000330159189 554075603 /nfs/dbraw/zinc/07/56/03/554075603.db2.gz QSRUHXTZBPFDAH-FVQBIDKESA-N 0 3 369.487 2.306 20 30 FEEDHN Cc1ccc2ncc(C#N)c(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2c1 ZINC000330193756 554082577 /nfs/dbraw/zinc/08/25/77/554082577.db2.gz YTFBDTWRRYJCSZ-IBGZPJMESA-N 0 3 363.465 2.158 20 30 FEEDHN CC(=O)N1CC[C@H](NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000330201199 554083574 /nfs/dbraw/zinc/08/35/74/554083574.db2.gz XKCNLUSUKGBNTG-ICSRJNTNSA-N 0 3 358.486 2.166 20 30 FEEDHN Cc1ncc(S(=O)(=O)N2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)cc1C#N ZINC000330200766 554083795 /nfs/dbraw/zinc/08/37/95/554083795.db2.gz WXEZIQAILMRYCS-ZQIUZPCESA-N 0 3 362.499 2.288 20 30 FEEDHN C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1nccs1 ZINC000330228964 554089206 /nfs/dbraw/zinc/08/92/06/554089206.db2.gz PXJDLAAOLUDYGL-ZIAGYGMSSA-N 0 3 352.504 2.346 20 30 FEEDHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000330249022 554092811 /nfs/dbraw/zinc/09/28/11/554092811.db2.gz ZQBYBLLKMIQUGA-QAPCUYQASA-N 0 3 362.518 2.045 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330256464 554093910 /nfs/dbraw/zinc/09/39/10/554093910.db2.gz KPXNSPNWGIQWOY-DLBZAZTESA-N 0 3 353.507 2.483 20 30 FEEDHN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000330283050 554098673 /nfs/dbraw/zinc/09/86/73/554098673.db2.gz BBXXDGILAPQRKS-PQEBFOHHSA-N 0 3 350.463 2.046 20 30 FEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc2n(n1)CCCO2 ZINC000330299044 554101818 /nfs/dbraw/zinc/10/18/18/554101818.db2.gz MABMPJFITUXWTK-UHFFFAOYSA-N 0 3 356.426 2.259 20 30 FEEDHN C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000330424127 554119820 /nfs/dbraw/zinc/11/98/20/554119820.db2.gz UEPBFILVBRCLIX-MRXNPFEDSA-N 0 3 364.515 2.241 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@H]1N(C)C ZINC000330721261 554163268 /nfs/dbraw/zinc/16/32/68/554163268.db2.gz XJOABFXLFPKNOD-HZPDHXFCSA-N 0 3 350.488 2.476 20 30 FEEDHN CN1CC=C(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000331002276 554199641 /nfs/dbraw/zinc/19/96/41/554199641.db2.gz OMQIATNSFRWFAP-UHFFFAOYSA-N 0 3 357.863 2.331 20 30 FEEDHN C=CCN(CCOC)C(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000508483893 561763400 /nfs/dbraw/zinc/76/34/00/561763400.db2.gz KGGCNBXVVYMQJY-UHFFFAOYSA-N 0 3 356.470 2.386 20 30 FEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308859 554245295 /nfs/dbraw/zinc/24/52/95/554245295.db2.gz XLAWEGWGLYKBEM-VXGBXAGGSA-N 0 3 357.380 2.368 20 30 FEEDHN C[C@@H]1CN(C2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)CCO1 ZINC000331391201 554256366 /nfs/dbraw/zinc/25/63/66/554256366.db2.gz KBFVOQRDWSNDAO-IEBWSBKVSA-N 0 3 355.482 2.471 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000331406325 554259043 /nfs/dbraw/zinc/25/90/43/554259043.db2.gz FJJRPFGNSZYPRB-ROUUACIJSA-N 0 3 355.486 2.079 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000509004778 561780881 /nfs/dbraw/zinc/78/08/81/561780881.db2.gz OBCPZEVUBOZQOI-KRWDZBQOSA-N 0 3 372.469 2.298 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@H]3CN(C)C)C2)n1 ZINC000331606529 554293734 /nfs/dbraw/zinc/29/37/34/554293734.db2.gz OQTQTMJJMZSTFR-MSOLQXFVSA-N 0 3 355.486 2.031 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331874949 554336450 /nfs/dbraw/zinc/33/64/50/554336450.db2.gz PCXHQDAYDWMORG-ROUUACIJSA-N 0 3 355.486 2.079 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000510483529 561836013 /nfs/dbraw/zinc/83/60/13/561836013.db2.gz AWHVXMCJQWQMCB-JSGCOSHPSA-N 0 3 353.875 2.459 20 30 FEEDHN Cc1nnc([C@H]2CCN([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119856 554575394 /nfs/dbraw/zinc/57/53/94/554575394.db2.gz HZTAIZCEQRZAES-IJSAUFJJSA-N 0 3 358.490 2.222 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)N2CCCC2)C1=O ZINC000348427302 554684716 /nfs/dbraw/zinc/68/47/16/554684716.db2.gz SPBOXNOHKCSVSE-ROUUACIJSA-N 0 3 357.454 2.255 20 30 FEEDHN N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000362018650 554945159 /nfs/dbraw/zinc/94/51/59/554945159.db2.gz CDLZJTXSTCQBRR-OAQYLSRUSA-N 0 3 360.461 2.231 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511630230 561875218 /nfs/dbraw/zinc/87/52/18/561875218.db2.gz RZAMGLQIGXBBMQ-HIFRSBDPSA-N 0 3 355.360 2.380 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)C2)n1 ZINC000363170257 555044998 /nfs/dbraw/zinc/04/49/98/555044998.db2.gz FHGLPDIASIVVLW-NZSAHSFTSA-N 0 3 369.513 2.419 20 30 FEEDHN N#Cc1ccc(OCCCN2CCC(NC(=O)C3CCOCC3)CC2)cc1 ZINC000363489139 555119040 /nfs/dbraw/zinc/11/90/40/555119040.db2.gz SFJFHVZZTUNWBZ-UHFFFAOYSA-N 0 3 371.481 2.334 20 30 FEEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000363738639 555175556 /nfs/dbraw/zinc/17/55/56/555175556.db2.gz ZMDNKDXSOPHBGF-QGZVFWFLSA-N 0 3 357.454 2.085 20 30 FEEDHN N#Cc1cccnc1N1CCCN(C[C@@H](O)CCc2ccccc2)CC1 ZINC000363783369 555185570 /nfs/dbraw/zinc/18/55/70/555185570.db2.gz WEMSYVYXOIUOBY-FQEVSTJZSA-N 0 3 350.466 2.459 20 30 FEEDHN Cc1ccnc(C2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000363795870 555188302 /nfs/dbraw/zinc/18/83/02/555188302.db2.gz PVPIFSSUWHBPAE-SFHVURJKSA-N 0 3 352.438 2.276 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCCN(c3ccc(C)cn3)C2)CC1 ZINC000363816382 555192129 /nfs/dbraw/zinc/19/21/29/555192129.db2.gz HKYPTDUWZOZGSG-SFHVURJKSA-N 0 3 354.498 2.210 20 30 FEEDHN C=CCN(C(=O)NCc1ccnn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363826052 555194308 /nfs/dbraw/zinc/19/43/08/555194308.db2.gz QCXNTKYEGUCDOW-IBGZPJMESA-N 0 3 353.470 2.392 20 30 FEEDHN N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCN2CCCCCC2)c1 ZINC000364045196 555239211 /nfs/dbraw/zinc/23/92/11/555239211.db2.gz UMPYEEYTHZXKCU-IBGZPJMESA-N 0 3 368.481 2.041 20 30 FEEDHN Cc1cccc(S(=O)(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)c1C#N ZINC000364291716 555285718 /nfs/dbraw/zinc/28/57/18/555285718.db2.gz OXSTVYCIIXIDJL-IRXDYDNUSA-N 0 3 359.426 2.121 20 30 FEEDHN COCc1nccc([C@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000364406238 555307775 /nfs/dbraw/zinc/30/77/75/555307775.db2.gz RTZCAFNFMUGKPA-PKOBYXMFSA-N 0 3 352.438 2.408 20 30 FEEDHN CO/N=C/c1ccc(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000364544615 555334054 /nfs/dbraw/zinc/33/40/54/555334054.db2.gz LHHYROFJVRJYSL-AJKKLUPSSA-N 0 3 359.470 2.286 20 30 FEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000365534193 555601410 /nfs/dbraw/zinc/60/14/10/555601410.db2.gz FKJUILUIZBMJQC-LSTHTHJFSA-N 0 3 356.466 2.318 20 30 FEEDHN CCCCCCCCOCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000365537128 555602489 /nfs/dbraw/zinc/60/24/89/555602489.db2.gz PBNXHKDSJDSLLM-SFHVURJKSA-N 0 3 367.534 2.304 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365545800 555605384 /nfs/dbraw/zinc/60/53/84/555605384.db2.gz KGCNJXGEEPVJAS-ZYSHUDEJSA-N 0 3 368.481 2.151 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365545800 555605386 /nfs/dbraw/zinc/60/53/86/555605386.db2.gz KGCNJXGEEPVJAS-ZYSHUDEJSA-N 0 3 368.481 2.151 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000366003228 555723825 /nfs/dbraw/zinc/72/38/25/555723825.db2.gz XMZMIEIRUHJYJQ-SUMWQHHRSA-N 0 3 363.439 2.017 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000366341942 555816118 /nfs/dbraw/zinc/81/61/18/555816118.db2.gz MNQLLJNGJYFNPF-UYAOXDASSA-N 0 3 367.449 2.427 20 30 FEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000366469911 555853192 /nfs/dbraw/zinc/85/31/92/555853192.db2.gz UGEBBBUBJIZGIN-MOXGXCLJSA-N 0 3 353.422 2.037 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000366729642 555919878 /nfs/dbraw/zinc/91/98/78/555919878.db2.gz MPQLCQZAXCIEJV-VQIMIIECSA-N 0 3 351.491 2.006 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC3(CN(C)C)CCC3)C2)n1 ZINC000367005920 555995459 /nfs/dbraw/zinc/99/54/59/555995459.db2.gz WPUDLBFXVGPHOZ-QGZVFWFLSA-N 0 3 355.486 2.079 20 30 FEEDHN Cc1nsc(NCc2c(C)nn(C)c2N2CCCN(C)CC2)c1C#N ZINC000367946566 556179427 /nfs/dbraw/zinc/17/94/27/556179427.db2.gz ZOUYBNIAKIZXTF-UHFFFAOYSA-N 0 3 359.503 2.119 20 30 FEEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000368497439 556327070 /nfs/dbraw/zinc/32/70/70/556327070.db2.gz YPTBHHXTHZUSBZ-UDTVLSCZSA-N 0 3 360.845 2.185 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000369376011 556584417 /nfs/dbraw/zinc/58/44/17/556584417.db2.gz QUJNAENCKBCVLN-RBUKOAKNSA-N 0 3 374.448 2.063 20 30 FEEDHN C=CCOc1ccc(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc1OC ZINC000369690628 556669708 /nfs/dbraw/zinc/66/97/08/556669708.db2.gz BCNZWKNBXCCUQA-UHFFFAOYSA-N 0 3 370.453 2.976 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000369755755 556686054 /nfs/dbraw/zinc/68/60/54/556686054.db2.gz BANWBUXCODTUCA-OAHLLOKOSA-N 0 3 373.884 2.297 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000369865282 556716790 /nfs/dbraw/zinc/71/67/90/556716790.db2.gz YCFLLQRKOWMSBZ-DKSSEZFCSA-N 0 3 374.460 2.386 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000370197635 556808250 /nfs/dbraw/zinc/80/82/50/556808250.db2.gz OBWVLWWRIBXLTD-LJQANCHMSA-N 0 3 367.493 2.029 20 30 FEEDHN C#CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(CC)C3)c1C ZINC000370259457 556823841 /nfs/dbraw/zinc/82/38/41/556823841.db2.gz CUYQGWYYAXDCNZ-CQSZACIVSA-N 0 3 351.454 2.095 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CNC(=O)c3ccco3)C2)CC1 ZINC000370289612 556831311 /nfs/dbraw/zinc/83/13/11/556831311.db2.gz SJTVVPFHAJQONV-MRXNPFEDSA-N 0 3 374.485 2.081 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC(C(=O)Nc3cccnc3)CC2)cc1 ZINC000370755891 556958619 /nfs/dbraw/zinc/95/86/19/556958619.db2.gz XTMSODNWRUWBNJ-LJQANCHMSA-N 0 3 350.422 2.337 20 30 FEEDHN C#CC[C@H](C)NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000371057753 557061058 /nfs/dbraw/zinc/06/10/58/557061058.db2.gz XLXUDXZQKBEPAS-RBUKOAKNSA-N 0 3 369.513 2.037 20 30 FEEDHN N#CCCC1CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000517232606 562081427 /nfs/dbraw/zinc/08/14/27/562081427.db2.gz AHHUDWCMPDIPDH-FQEVSTJZSA-N 0 3 370.497 2.479 20 30 FEEDHN C=CCOc1ccc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1OC ZINC000371328197 557148175 /nfs/dbraw/zinc/14/81/75/557148175.db2.gz SUASWHCOYSZFPT-FQEVSTJZSA-N 0 3 373.453 2.070 20 30 FEEDHN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](c1ccccc1)N(C)C ZINC000518171947 562105684 /nfs/dbraw/zinc/10/56/84/562105684.db2.gz KEFPLPADVKBCFG-BEFAXECRSA-N 0 3 372.494 2.008 20 30 FEEDHN C=CCN1CCC(NC(=O)COc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000518501127 562113062 /nfs/dbraw/zinc/11/30/62/562113062.db2.gz UFQUUDUGUGYUBT-UHFFFAOYSA-N 0 3 357.454 2.181 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)CC1 ZINC000372376726 557454503 /nfs/dbraw/zinc/45/45/03/557454503.db2.gz GHCMXAMXRWMBDQ-UHFFFAOYSA-N 0 3 364.453 2.824 20 30 FEEDHN CN1CC[C@@H](CNC(=O)Cc2cccc(OCC#N)c2)[C@@H]1c1cccnc1 ZINC000372410886 557464054 /nfs/dbraw/zinc/46/40/54/557464054.db2.gz YQDUUGDHUUMJQR-RXVVDRJESA-N 0 3 364.449 2.336 20 30 FEEDHN COC(=O)[C@]12CCC[C@@H]1CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000373403401 557687544 /nfs/dbraw/zinc/68/75/44/557687544.db2.gz HEEDZXBFIYLKCC-QKLQHJQFSA-N 0 3 351.406 2.042 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000373547636 557716007 /nfs/dbraw/zinc/71/60/07/557716007.db2.gz VJMNZKHNNVITCW-HKUYNNGSSA-N 0 3 357.502 2.024 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000520709474 562162080 /nfs/dbraw/zinc/16/20/80/562162080.db2.gz PPSKXKNHPWXWKO-UHFFFAOYSA-N 0 3 356.514 2.473 20 30 FEEDHN CN(CC(=O)N(CCC#N)CCC#N)C1CCN(c2ccc(F)cc2)CC1 ZINC000374130916 557828812 /nfs/dbraw/zinc/82/88/12/557828812.db2.gz IIOSTJFWKQOAIH-UHFFFAOYSA-N 0 3 371.460 2.382 20 30 FEEDHN C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000374319225 557864718 /nfs/dbraw/zinc/86/47/18/557864718.db2.gz WQVRJXWPZGWWIW-JCTQASJRSA-N 0 3 352.482 2.056 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000374656821 557912899 /nfs/dbraw/zinc/91/28/99/557912899.db2.gz SYFUIQXMUBPHGI-OAQYLSRUSA-N 0 3 357.498 2.373 20 30 FEEDHN C[C@H](NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)C1=CCN(C)CC1 ZINC000374735067 557923130 /nfs/dbraw/zinc/92/31/30/557923130.db2.gz PAWXSVKLWBVWLQ-KRWDZBQOSA-N 0 3 367.497 2.430 20 30 FEEDHN Cc1noc(C2(C)CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000374748886 557925105 /nfs/dbraw/zinc/92/51/05/557925105.db2.gz ITAGXDPUMXYWIA-MRXNPFEDSA-N 0 3 356.426 2.043 20 30 FEEDHN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000374827944 557937174 /nfs/dbraw/zinc/93/71/74/557937174.db2.gz ORMWYKJEKNPXTI-WMZOPIPTSA-N 0 3 353.426 2.153 20 30 FEEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000521217018 562172090 /nfs/dbraw/zinc/17/20/90/562172090.db2.gz HSSISJFZLHAEPW-BHIYHBOVSA-N 0 3 373.497 2.315 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C1CCN(CCc2ccncc2)CC1 ZINC000375012660 557964104 /nfs/dbraw/zinc/96/41/04/557964104.db2.gz MIYLWAZQZFDEGP-GOSISDBHSA-N 0 3 371.529 2.028 20 30 FEEDHN N#CCCN(C(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC1)c1cccc(Cl)c1 ZINC000375338666 558011572 /nfs/dbraw/zinc/01/15/72/558011572.db2.gz SHGIYXUYXLSRPY-LPHOPBHVSA-N 0 3 374.872 2.233 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)CC1 ZINC000376112086 558128601 /nfs/dbraw/zinc/12/86/01/558128601.db2.gz JNPXXNUEKMWLNZ-GJYPPUQNSA-N 0 3 351.491 2.005 20 30 FEEDHN C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000376318749 558157264 /nfs/dbraw/zinc/15/72/64/558157264.db2.gz BERRJIZSPOIIHS-GDBMZVCRSA-N 0 3 359.451 2.340 20 30 FEEDHN C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000376318749 558157266 /nfs/dbraw/zinc/15/72/66/558157266.db2.gz BERRJIZSPOIIHS-GDBMZVCRSA-N 0 3 359.451 2.340 20 30 FEEDHN Cn1ccnc1C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000376496398 558180979 /nfs/dbraw/zinc/18/09/79/558180979.db2.gz WZBFOZAIEYJJOV-RBUKOAKNSA-N 0 3 361.449 2.455 20 30 FEEDHN CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN3CCC2CC3)ccc1OC ZINC000376684379 558207892 /nfs/dbraw/zinc/20/78/92/558207892.db2.gz AXXIAMGFHGZSOQ-QGZVFWFLSA-N 0 3 372.469 2.366 20 30 FEEDHN C#CCOc1ccc(F)cc1NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000376971571 558246309 /nfs/dbraw/zinc/24/63/09/558246309.db2.gz LGEPJBJTDHGEFM-UHFFFAOYSA-N 0 3 363.433 2.148 20 30 FEEDHN Cc1cc(NC(=O)N[C@H](C)C2=CCN(C)CC2)nn1-c1cccc(C#N)c1 ZINC000377244892 558297528 /nfs/dbraw/zinc/29/75/28/558297528.db2.gz MUNHJHDIJVXFJL-OAHLLOKOSA-N 0 3 364.453 2.824 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377578682 558369909 /nfs/dbraw/zinc/36/99/09/558369909.db2.gz AJAVVTZMWFFLAZ-HOTGVXAUSA-N 0 3 358.442 2.330 20 30 FEEDHN N#CC1(C[C@H](O)CN2CCC(C(=O)NCCc3cccs3)CC2)CC1 ZINC000528408135 562327425 /nfs/dbraw/zinc/32/74/25/562327425.db2.gz JTWJHQMKKBEVPQ-INIZCTEOSA-N 0 3 361.511 2.174 20 30 FEEDHN C#CCOc1ccccc1CN1CCC(C(=O)Nc2nncs2)CC1 ZINC000377705342 558401943 /nfs/dbraw/zinc/40/19/43/558401943.db2.gz SFJOGOCWPLRXFF-UHFFFAOYSA-N 0 3 356.451 2.401 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(C)(CN2CCOCC2)CC1 ZINC000378268246 558515439 /nfs/dbraw/zinc/51/54/39/558515439.db2.gz DMAYPXUYFSNTML-UHFFFAOYSA-N 0 3 373.497 2.380 20 30 FEEDHN CN1CCC2(CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000378338105 558532697 /nfs/dbraw/zinc/53/26/97/558532697.db2.gz XFCFYEZEOAOKCE-UHFFFAOYSA-N 0 3 364.453 2.027 20 30 FEEDHN C[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CCN1C1CCN(C)CC1 ZINC000378366825 558540346 /nfs/dbraw/zinc/54/03/46/558540346.db2.gz PLMDSHLSWKURRJ-ZDUSSCGKSA-N 0 3 362.424 2.077 20 30 FEEDHN C[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000390715383 558611463 /nfs/dbraw/zinc/61/14/63/558611463.db2.gz KKEFTCVSTIDNEA-KRWDZBQOSA-N 0 3 371.506 2.442 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000409575403 558704432 /nfs/dbraw/zinc/70/44/32/558704432.db2.gz RFFGJDNEANQHOU-UHFFFAOYSA-N 0 3 356.536 2.055 20 30 FEEDHN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[C@H]1N1CCN(C)CC1 ZINC000409719612 558715966 /nfs/dbraw/zinc/71/59/66/558715966.db2.gz ZCMKOFJWEWZUEM-CZUORRHYSA-N 0 3 367.419 2.434 20 30 FEEDHN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000411494259 558905020 /nfs/dbraw/zinc/90/50/20/558905020.db2.gz SMQQRZOTCLSWEY-ZDUSSCGKSA-N 0 3 351.422 2.176 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411494566 558905032 /nfs/dbraw/zinc/90/50/32/558905032.db2.gz SYWQQRBGPLWTNY-MAUKXSAKSA-N 0 3 359.470 2.093 20 30 FEEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411787687 558962971 /nfs/dbraw/zinc/96/29/71/558962971.db2.gz LISCPGWYHMNDAE-SQNIBIBYSA-N 0 3 355.438 2.375 20 30 FEEDHN N#Cc1ccccc1COc1cccc(CN2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000414551520 559171185 /nfs/dbraw/zinc/17/11/85/559171185.db2.gz BNIMPCQPZNETME-PZJWPPBQSA-N 0 3 352.434 2.312 20 30 FEEDHN C=CCOc1ccc(CN2CCC[C@H](n3cc(CN)nn3)C2)cc1OC ZINC000415119255 559206291 /nfs/dbraw/zinc/20/62/91/559206291.db2.gz FEQKVCFOYRFXQS-KRWDZBQOSA-N 0 3 357.458 2.147 20 30 FEEDHN Cc1nc(NC(=O)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)ccc1C#N ZINC000415375857 559228861 /nfs/dbraw/zinc/22/88/61/559228861.db2.gz AYPJEGMGFCRZLF-KRWDZBQOSA-N 0 3 365.437 2.140 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C)CN1 ZINC000415446714 559237879 /nfs/dbraw/zinc/23/78/79/559237879.db2.gz HKSMTNZCZSGDOX-NEPJUHHUSA-N 0 3 358.833 2.611 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N[C@@H](CN)C2CC2)ccc1Oc1ccccc1 ZINC000415456149 559239032 /nfs/dbraw/zinc/23/90/32/559239032.db2.gz SKPYBGRZVCECTD-KRWDZBQOSA-N 0 3 364.405 2.143 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](N)c1ccccc1 ZINC000415463906 559240102 /nfs/dbraw/zinc/24/01/02/559240102.db2.gz KTJCAWRSPQMNKZ-INIZCTEOSA-N 0 3 354.410 2.405 20 30 FEEDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416390829 559309534 /nfs/dbraw/zinc/30/95/34/559309534.db2.gz PSYQLPCKKIRKMQ-NSHDSACASA-N 0 3 374.304 2.329 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000417050347 559345731 /nfs/dbraw/zinc/34/57/31/559345731.db2.gz JWFGVYWOMHCDGR-UMVBOHGHSA-N 0 3 365.455 2.045 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418450241 559402200 /nfs/dbraw/zinc/40/22/00/559402200.db2.gz LIJHXKYCLUJVDV-IBGZPJMESA-N 0 3 352.438 2.416 20 30 FEEDHN CN(CCN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)Cc1ccccc1 ZINC000418871282 559420227 /nfs/dbraw/zinc/42/02/27/559420227.db2.gz VFEFYVARQVLYLX-NRFANRHFSA-N 0 3 362.433 2.457 20 30 FEEDHN C=CCC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1ccccc1 ZINC000419663877 559452548 /nfs/dbraw/zinc/45/25/48/559452548.db2.gz KYNZKGHKCZQCDO-PVAVHDDUSA-N 0 3 359.470 2.039 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420468079 559489218 /nfs/dbraw/zinc/48/92/18/559489218.db2.gz FOWZLDCJLBIFSX-DLBZAZTESA-N 0 3 359.426 2.121 20 30 FEEDHN Cc1cc(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)ccc1C#N ZINC000420470980 559489407 /nfs/dbraw/zinc/48/94/07/559489407.db2.gz OSZWYSMMNKQYLU-ZWKOTPCHSA-N 0 3 359.426 2.121 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000422529904 559593137 /nfs/dbraw/zinc/59/31/37/559593137.db2.gz PTIQFSMVAPOAMV-PMACEKPBSA-N 0 3 369.509 2.377 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000422536671 559593545 /nfs/dbraw/zinc/59/35/45/559593545.db2.gz DDSLCNHCZPBYKK-QXAKKESOSA-N 0 3 357.498 2.231 20 30 FEEDHN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H](N)CCCC#N ZINC000424114742 559655272 /nfs/dbraw/zinc/65/52/72/559655272.db2.gz SIQFUMJSKYHBSY-LLVKDONJSA-N 0 3 353.220 2.367 20 30 FEEDHN C=CCn1c([C@H]2CCCS2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000424117630 559655394 /nfs/dbraw/zinc/65/53/94/559655394.db2.gz BOMCWPCURYNFNR-JKSUJKDBSA-N 0 3 363.531 2.191 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000424143943 559656030 /nfs/dbraw/zinc/65/60/30/559656030.db2.gz KHJBQZYYBMDRCE-AWEZNQCLSA-N 0 3 352.394 2.479 20 30 FEEDHN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424153179 559656219 /nfs/dbraw/zinc/65/62/19/559656219.db2.gz JREPQZVMFNJLAH-GUYCJALGSA-N 0 3 350.413 2.191 20 30 FEEDHN CCOc1ccccc1CN1CCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)C1 ZINC000424178538 559656993 /nfs/dbraw/zinc/65/69/93/559656993.db2.gz WWCQRODFOROPDD-AEFFLSMTSA-N 0 3 358.486 2.139 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000424189705 559657059 /nfs/dbraw/zinc/65/70/59/559657059.db2.gz NQNRRZDVIYVNGE-ZDUSSCGKSA-N 0 3 352.232 2.191 20 30 FEEDHN C=CCn1cc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)nn1 ZINC000424908016 559679753 /nfs/dbraw/zinc/67/97/53/559679753.db2.gz MTJOOZLFYWRKHV-INIZCTEOSA-N 0 3 357.433 2.132 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000425384994 559699153 /nfs/dbraw/zinc/69/91/53/559699153.db2.gz MWOWPWGOTDZSKV-APWZRJJASA-N 0 3 368.481 2.164 20 30 FEEDHN C=CCn1cc(CNC(=O)NC2CCN(Cc3ccccc3C)CC2)nn1 ZINC000425417357 559701222 /nfs/dbraw/zinc/70/12/22/559701222.db2.gz HPHAYUFPWXRULE-UHFFFAOYSA-N 0 3 368.485 2.236 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000425564063 559709930 /nfs/dbraw/zinc/70/99/30/559709930.db2.gz AHMSKMHYWKQFQR-ICSRJNTNSA-N 0 3 373.497 2.034 20 30 FEEDHN C=CCn1cc(CNC(=O)N(CC)Cc2ccc(CN(C)C)cc2)nn1 ZINC000425569628 559710210 /nfs/dbraw/zinc/71/02/10/559710210.db2.gz ZEWUMRRVDYHBKQ-UHFFFAOYSA-N 0 3 356.474 2.257 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)nn1 ZINC000425651653 559713100 /nfs/dbraw/zinc/71/31/00/559713100.db2.gz YNEUEBKYRXCBAC-SFHVURJKSA-N 0 3 356.474 2.129 20 30 FEEDHN C=CCN(C)CCN(CC)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000429727598 559804739 /nfs/dbraw/zinc/80/47/39/559804739.db2.gz VNBCEKPTADDYJV-HNNXBMFYSA-N 0 3 365.499 2.080 20 30 FEEDHN Cc1cc(NC(=O)COc2ccccc2C#N)n(C2CCN(C)CC2)n1 ZINC000430450468 559820275 /nfs/dbraw/zinc/82/02/75/559820275.db2.gz PWDGVUIYNHLEOR-UHFFFAOYSA-N 0 3 353.426 2.347 20 30 FEEDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433013432 559869933 /nfs/dbraw/zinc/86/99/33/559869933.db2.gz NYFNWZWQAPLLEI-NSHDSACASA-N 0 3 374.304 2.329 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NCCc1nnc2n1CCCCC2 ZINC000433219076 559874073 /nfs/dbraw/zinc/87/40/73/559874073.db2.gz KXEVSYAXYBPBTB-KRWDZBQOSA-N 0 3 351.454 2.436 20 30 FEEDHN CC(C)CNC(=O)[C@H]1CSCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433356883 559878322 /nfs/dbraw/zinc/87/83/22/559878322.db2.gz VNZQJDAPKSXNDN-IAGOWNOFSA-N 0 3 359.495 2.433 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000437724580 559968544 /nfs/dbraw/zinc/96/85/44/559968544.db2.gz VCSCLVWRAQOFOA-NVXWUHKLSA-N 0 3 353.507 2.156 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000438334683 559977566 /nfs/dbraw/zinc/97/75/66/559977566.db2.gz MPMRZHSGGLLDLX-NVXWUHKLSA-N 0 3 352.442 2.754 20 30 FEEDHN CC(C(=O)N[C@H](CCC#N)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000439668311 559998592 /nfs/dbraw/zinc/99/85/92/559998592.db2.gz AVFYHHGDOFONTE-RHSMWYFYSA-N 0 3 364.467 2.130 20 30 FEEDHN CO[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1(C)C ZINC000440342493 560009103 /nfs/dbraw/zinc/00/91/03/560009103.db2.gz RLKVVFUWHMEFSZ-ZWKOTPCHSA-N 0 3 358.486 2.445 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(F)c2F)CC1 ZINC000443295351 560078401 /nfs/dbraw/zinc/07/84/01/560078401.db2.gz AQPBJIPDDZOLCJ-UHFFFAOYSA-N 0 3 357.788 2.323 20 30 FEEDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000444547464 560115395 /nfs/dbraw/zinc/11/53/95/560115395.db2.gz MYWJRAQTCGHLDV-GOSISDBHSA-N 0 3 353.422 2.306 20 30 FEEDHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000445932131 560137105 /nfs/dbraw/zinc/13/71/05/560137105.db2.gz KBVKVFPOLMOXLR-UHFFFAOYSA-N 0 3 366.421 2.309 20 30 FEEDHN COCC[C@]1(NCC(=O)N(CCC#N)c2cccc(Cl)c2)CCOC1 ZINC000447402662 560161734 /nfs/dbraw/zinc/16/17/34/560161734.db2.gz LKHVKLSJPGIDMV-SFHVURJKSA-N 0 3 365.861 2.372 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(Br)cc1C#N ZINC000448911715 560206250 /nfs/dbraw/zinc/20/62/50/560206250.db2.gz QSCKTXABGALNFS-AWEZNQCLSA-N 0 3 366.259 2.161 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCN1C ZINC000449942637 560245944 /nfs/dbraw/zinc/24/59/44/560245944.db2.gz UTYIZOJXAVCNBQ-YUELXQCFSA-N 0 3 374.872 2.163 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)CC1 ZINC000450749589 560272151 /nfs/dbraw/zinc/27/21/51/560272151.db2.gz YXGLCHQEVONCMB-LJQANCHMSA-N 0 3 369.513 2.341 20 30 FEEDHN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451177592 560291552 /nfs/dbraw/zinc/29/15/52/560291552.db2.gz WPDMKLPSKJYVDV-OKILXGFUSA-N 0 3 353.463 2.380 20 30 FEEDHN CO[C@@H]1CCC[C@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451631518 560318191 /nfs/dbraw/zinc/31/81/91/560318191.db2.gz LXWSSPJKVKAKCT-HZPDHXFCSA-N 0 3 354.372 2.330 20 30 FEEDHN C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN(Cc2ccccc2)C1 ZINC000451706069 560323430 /nfs/dbraw/zinc/32/34/30/560323430.db2.gz JRKFHOLUSKXZNO-DYESRHJHSA-N 0 3 354.498 2.249 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453617661 560391419 /nfs/dbraw/zinc/39/14/19/560391419.db2.gz YSPPASMBUGQIFY-ZDUSSCGKSA-N 0 3 362.861 2.335 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NC[C@@H]2CCCN2CCCO)cc1C#N ZINC000454999136 560466856 /nfs/dbraw/zinc/46/68/56/560466856.db2.gz NTYZWEXVBNPARB-KRWDZBQOSA-N 0 3 360.458 2.314 20 30 FEEDHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1=O ZINC000456099352 560506854 /nfs/dbraw/zinc/50/68/54/560506854.db2.gz BHCHUQCVHNVSGA-HNNXBMFYSA-N 0 3 372.469 2.084 20 30 FEEDHN C=CCC[C@H](CO)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000458737396 560644825 /nfs/dbraw/zinc/64/48/25/560644825.db2.gz KAMQFMNRFMENSZ-WLYUNCDWSA-N 0 3 363.424 2.418 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000459996074 560727341 /nfs/dbraw/zinc/72/73/41/560727341.db2.gz PLKSCWDRBVGLFO-IBGZPJMESA-N 0 3 355.482 2.288 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N(C)C)cn1 ZINC000460187302 560737338 /nfs/dbraw/zinc/73/73/38/560737338.db2.gz SJLQSCGCAJLBKA-UHFFFAOYSA-N 0 3 351.454 2.223 20 30 FEEDHN COc1cc(CNC(=O)c2ccccc2OCCN(C)C)ccc1C#N ZINC000460595146 560746929 /nfs/dbraw/zinc/74/69/29/560746929.db2.gz CRNRKCLKHPQCAX-UHFFFAOYSA-N 0 3 353.422 2.437 20 30 FEEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000460804422 560752270 /nfs/dbraw/zinc/75/22/70/560752270.db2.gz PXUBVUQVDFKHNK-GOSISDBHSA-N 0 3 358.534 2.338 20 30 FEEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000461944954 560789075 /nfs/dbraw/zinc/78/90/75/560789075.db2.gz WNEHEBKCNUVKDZ-SNRMKQJTSA-N 0 3 356.470 2.135 20 30 FEEDHN N#CC(C(=O)c1ccc(OCC(N)=O)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464472609 560842728 /nfs/dbraw/zinc/84/27/28/560842728.db2.gz DYEKBOTWFPDBCB-CYBMUJFWSA-N 0 3 363.295 2.455 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000470742234 560988474 /nfs/dbraw/zinc/98/84/74/560988474.db2.gz AHNLVXKOAHXMSB-INIZCTEOSA-N 0 3 363.377 2.377 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNC(=O)CC2CCCC2)cc1 ZINC000470891534 560992899 /nfs/dbraw/zinc/99/28/99/560992899.db2.gz MFLKAUOTHQVACE-SFHVURJKSA-N 0 3 352.438 2.053 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCn2c(=O)[nH]c3ccccc32)cc1 ZINC000471052813 560997049 /nfs/dbraw/zinc/99/70/49/560997049.db2.gz OAZQJPFNEDZANH-MRXNPFEDSA-N 0 3 359.389 2.112 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCN(C)C[C@H]2C(C)C)c(OC)c1 ZINC000471211254 561000716 /nfs/dbraw/zinc/00/07/16/561000716.db2.gz ILBPLRQUQQWPMM-OALUTQOASA-N 0 3 362.514 2.435 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000472998335 561039784 /nfs/dbraw/zinc/03/97/84/561039784.db2.gz GBKBEODNHHTKFM-OALUTQOASA-N 0 3 364.534 2.458 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000472998338 561039831 /nfs/dbraw/zinc/03/98/31/561039831.db2.gz GBKBEODNHHTKFM-RBUKOAKNSA-N 0 3 364.534 2.458 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C(=O)N2Cc3ccccc3C2)CC1 ZINC000474328483 561071368 /nfs/dbraw/zinc/07/13/68/561071368.db2.gz JKDLAEOFNJQFGG-MRXNPFEDSA-N 0 3 370.497 2.257 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)Cc1ccccc1 ZINC000474904584 561085191 /nfs/dbraw/zinc/08/51/91/561085191.db2.gz CRBJOIQCLJKINZ-FQEVSTJZSA-N 0 3 351.450 2.052 20 30 FEEDHN CC(C)n1cnnc1[C@@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528422933 562328568 /nfs/dbraw/zinc/32/85/68/562328568.db2.gz GRJLHPQQOPLICB-MSOLQXFVSA-N 0 3 369.469 2.350 20 30 FEEDHN CC1(C)CN(C2(CNC(=O)Cc3ccc(C#N)nc3)CCCCC2)CCO1 ZINC000528497961 562332410 /nfs/dbraw/zinc/33/24/10/562332410.db2.gz SEBAGNISYMSAED-UHFFFAOYSA-N 0 3 370.497 2.426 20 30 FEEDHN CC(C)[C@@H]1CN(CC(=O)NC2(C#N)CCC2)CCN1Cc1ccccc1 ZINC000528639196 562339485 /nfs/dbraw/zinc/33/94/85/562339485.db2.gz KUDYSZDBYYNQAK-IBGZPJMESA-N 0 3 354.498 2.391 20 30 FEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cnn(CCCOC)c2)cc1 ZINC000528921772 562353052 /nfs/dbraw/zinc/35/30/52/562353052.db2.gz VQGDGSWAHBYYNA-KRWDZBQOSA-N 0 3 354.410 2.443 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000530230929 562403031 /nfs/dbraw/zinc/40/30/31/562403031.db2.gz DSAFUTNPMIGZGX-HZPDHXFCSA-N 0 3 372.856 2.215 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000530233031 562403255 /nfs/dbraw/zinc/40/32/55/562403255.db2.gz OBGHMTSLQAWAMZ-HKUYNNGSSA-N 0 3 355.413 2.306 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NCCN3[C@H](C)CCC[C@H]3C)CC2)o1 ZINC000530283412 562405424 /nfs/dbraw/zinc/40/54/24/562405424.db2.gz RJLWAMOSNQHUPL-HUUCEWRRSA-N 0 3 373.501 2.450 20 30 FEEDHN COc1cc(CNC(=O)Cc2cccc(C#N)c2)ccc1OCCN(C)C ZINC000530673874 562420170 /nfs/dbraw/zinc/42/01/70/562420170.db2.gz BGELSBPWHRSBBU-UHFFFAOYSA-N 0 3 367.449 2.366 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1N(C)C ZINC000534951980 562546016 /nfs/dbraw/zinc/54/60/16/562546016.db2.gz PPOMYQQNWRFEAN-LSDHHAIUSA-N 0 3 352.891 2.128 20 30 FEEDHN N#Cc1ccc([C@H](NCCOc2cccc(C(F)(F)F)n2)C(N)=O)cc1 ZINC000535402206 562557841 /nfs/dbraw/zinc/55/78/41/562557841.db2.gz QUMBOKSFINLCMO-HNNXBMFYSA-N 0 3 364.327 2.167 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000537127563 562586149 /nfs/dbraw/zinc/58/61/49/562586149.db2.gz VSSYOZIMFUDORX-VCBZYWHSSA-N 0 3 354.458 2.361 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCn2ccc(C(F)(F)F)n2)cc1 ZINC000602220562 567956774 /nfs/dbraw/zinc/95/67/74/567956774.db2.gz OXEKCOQGZRYHOU-AWEZNQCLSA-N 0 3 361.327 2.272 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)CC1 ZINC000636743203 568001227 /nfs/dbraw/zinc/00/12/27/568001227.db2.gz YPSNEIGIPDVNCF-KBPBESRZSA-N 0 3 351.413 2.274 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C)N1CC#N ZINC000602852596 568001656 /nfs/dbraw/zinc/00/16/56/568001656.db2.gz DCDZXKHTAJWQQI-SFHLNBCPSA-N 0 3 356.514 2.196 20 30 FEEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)N1CC#N ZINC000602864391 568007857 /nfs/dbraw/zinc/00/78/57/568007857.db2.gz QKKRCWGSQBXRFQ-ZIAGYGMSSA-N 0 3 359.861 2.458 20 30 FEEDHN N#CC1(NC(=O)CN2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)CCC1 ZINC000602876841 568010280 /nfs/dbraw/zinc/01/02/80/568010280.db2.gz CJPXEDYVHQYGNF-UHFFFAOYSA-N 0 3 364.453 2.214 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC(Cc2nc(C(C)C)n[nH]2)CC1 ZINC000602860857 568049385 /nfs/dbraw/zinc/04/93/85/568049385.db2.gz GULKEZUPSGMDFN-OAHLLOKOSA-N 0 3 360.506 2.191 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000602860857 568049386 /nfs/dbraw/zinc/04/93/86/568049386.db2.gz GULKEZUPSGMDFN-OAHLLOKOSA-N 0 3 360.506 2.191 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000602860857 568049388 /nfs/dbraw/zinc/04/93/88/568049388.db2.gz GULKEZUPSGMDFN-OAHLLOKOSA-N 0 3 360.506 2.191 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-n2cnnn2)c(C)c1)C(C)C ZINC000603287919 568083088 /nfs/dbraw/zinc/08/30/88/568083088.db2.gz WZVJDIVWMMKHMW-LJQANCHMSA-N 0 3 368.485 2.399 20 30 FEEDHN C=CC1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735409343 598852123 /nfs/dbraw/zinc/85/21/23/598852123.db2.gz CRWNAGYAQCABGX-UHFFFAOYSA-N 0 3 350.430 2.289 20 30 FEEDHN C=CC1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735409343 598852125 /nfs/dbraw/zinc/85/21/25/598852125.db2.gz CRWNAGYAQCABGX-UHFFFAOYSA-N 0 3 350.430 2.289 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000824585097 608464205 /nfs/dbraw/zinc/46/42/05/608464205.db2.gz NLQGMNFQMTXNMP-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN Cc1ccc(-c2nnn[n-]2)nc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000826280868 608542645 /nfs/dbraw/zinc/54/26/45/608542645.db2.gz UGFJRQGOUOBHBX-UHFFFAOYSA-N 0 3 374.452 2.154 20 30 FEEDHN Cc1ccc(-c2nnn[n-]2)nc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000826280868 608542647 /nfs/dbraw/zinc/54/26/47/608542647.db2.gz UGFJRQGOUOBHBX-UHFFFAOYSA-N 0 3 374.452 2.154 20 30 FEEDHN N#CCC1CC[NH+](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826380549 609429122 /nfs/dbraw/zinc/42/91/22/609429122.db2.gz DSYHTROUYVGYBC-UHFFFAOYSA-N 0 3 373.848 2.474 20 30 FEEDHN N#CCC1CC[NH+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826380549 609429123 /nfs/dbraw/zinc/42/91/23/609429123.db2.gz DSYHTROUYVGYBC-UHFFFAOYSA-N 0 3 373.848 2.474 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000563720194 674932903 /nfs/dbraw/zinc/93/29/03/674932903.db2.gz ACVPSAQDYBGMCS-SUMWQHHRSA-N 0 3 351.447 2.086 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000815860395 674978862 /nfs/dbraw/zinc/97/88/62/674978862.db2.gz JHYFYWDJBIMVOI-UHFFFAOYSA-N 0 3 361.873 2.036 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000815861716 674979036 /nfs/dbraw/zinc/97/90/36/674979036.db2.gz WFHZJVXTHDSPMB-UHFFFAOYSA-N 0 3 355.463 2.425 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(F)c1 ZINC000815905054 674983388 /nfs/dbraw/zinc/98/33/88/674983388.db2.gz YLOYTOCPBJYMIJ-CYBMUJFWSA-N 0 3 370.808 2.498 20 30 FEEDHN CN1CCN(c2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000007109222 669963983 /nfs/dbraw/zinc/96/39/83/669963983.db2.gz SRPKSLVRJBCTDM-UHFFFAOYSA-N 0 3 356.451 2.111 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]\CCCN(CC)S(C)(=O)=O)c([O-])c1 ZINC000054894186 670342804 /nfs/dbraw/zinc/34/28/04/670342804.db2.gz IEZLBZSXFRKQMT-JXAWBTAJSA-N 0 3 355.504 2.329 20 30 FEEDHN C#CCOCCC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000123982035 671988698 /nfs/dbraw/zinc/98/86/98/671988698.db2.gz HLKGVOZBJOMIQI-UHFFFAOYSA-N 0 3 367.287 2.379 20 30 FEEDHN Cc1nn(C)c2sc(C(=O)C(C#N)C(=O)NCCCOC(C)C)cc12 ZINC000125496939 672012394 /nfs/dbraw/zinc/01/23/94/672012394.db2.gz LOIKHFVGFMFTGI-ZDUSSCGKSA-N 0 3 362.455 2.197 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(F)c1 ZINC000125533760 672013302 /nfs/dbraw/zinc/01/33/02/672013302.db2.gz ZVVNPLOAZPGKSI-BBRMVZONSA-N 0 3 350.390 2.233 20 30 FEEDHN N#CC(C(=O)CCCNC(=O)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130239103 672072984 /nfs/dbraw/zinc/07/29/84/672072984.db2.gz JNMXPGLOJCYXDZ-GFCCVEGCSA-N 0 3 365.792 2.433 20 30 FEEDHN CN(C)Cc1ccccc1CNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000584777250 672214853 /nfs/dbraw/zinc/21/48/53/672214853.db2.gz QZNQUHHBEGNXTQ-UHFFFAOYSA-N 0 3 357.479 2.434 20 30 FEEDHN CC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000171566844 672333372 /nfs/dbraw/zinc/33/33/72/672333372.db2.gz FXPLVRDPBYLKPS-WCQYABFASA-N 0 3 365.792 2.385 20 30 FEEDHN C=CCN1CCC(NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000178383759 672391251 /nfs/dbraw/zinc/39/12/51/672391251.db2.gz UVJKYMPCXDJITO-UHFFFAOYSA-N 0 3 354.495 2.239 20 30 FEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc3c(c2)OCO3)cc1Cl ZINC000591765948 672709455 /nfs/dbraw/zinc/70/94/55/672709455.db2.gz VEUZWJMJTVIJTP-CQSZACIVSA-N 0 3 360.797 2.470 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000193422377 672723859 /nfs/dbraw/zinc/72/38/59/672723859.db2.gz UKMSKTVSDXWUFW-HNNXBMFYSA-N 0 3 357.435 2.133 20 30 FEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000193611082 672730697 /nfs/dbraw/zinc/73/06/97/672730697.db2.gz CZNXJIUGXXOFDU-TZMCWYRMSA-N 0 3 359.392 2.418 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000594444683 673073050 /nfs/dbraw/zinc/07/30/50/673073050.db2.gz BKQWKZAPSKIZRT-CABCVRRESA-N 0 3 366.824 2.112 20 30 FEEDHN CC(C)C[C@H](NC(=O)[C@@H](N)CCCCC#N)C(=O)Nc1nccs1 ZINC000594447162 673073578 /nfs/dbraw/zinc/07/35/78/673073578.db2.gz UKSPXSDZZHEAIT-STQMWFEESA-N 0 3 351.476 2.024 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2CCCCC2)CC1 ZINC000330136357 673085795 /nfs/dbraw/zinc/08/57/95/673085795.db2.gz NGXNOUONCSIZJL-QGZVFWFLSA-N 0 3 350.507 2.109 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000730839332 673293211 /nfs/dbraw/zinc/29/32/11/673293211.db2.gz LEPXQDLFYXCBRV-MRXNPFEDSA-N 0 3 354.372 2.200 20 30 FEEDHN COC(=O)c1cnc([C@H]2CCCN(C(=O)[C@@H](N)CCCCC#N)C2)s1 ZINC000595998050 673346908 /nfs/dbraw/zinc/34/69/08/673346908.db2.gz WPZIULBVQSMXNI-STQMWFEESA-N 0 3 364.471 2.047 20 30 FEEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000596068225 673355875 /nfs/dbraw/zinc/35/58/75/673355875.db2.gz GESVQKRYPHDASX-KXBFYZLASA-N 0 3 358.463 2.086 20 30 FEEDHN CCN1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000741451729 673687434 /nfs/dbraw/zinc/68/74/34/673687434.db2.gz NPRQVEOEYQGQJX-NSHDSACASA-N 0 3 374.304 2.445 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000744029585 673779788 /nfs/dbraw/zinc/77/97/88/673779788.db2.gz VOVOKYFOYIXJRK-MFKMUULPSA-N 0 3 351.200 2.227 20 30 FEEDHN CN(C)CC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCC1 ZINC000546904618 673826978 /nfs/dbraw/zinc/82/69/78/673826978.db2.gz ATUXFWPRPUKZAK-UHFFFAOYSA-N 0 3 361.389 2.340 20 30 FEEDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000601422574 673860162 /nfs/dbraw/zinc/86/01/62/673860162.db2.gz SWPIZEYKFQXVBI-HZMBPMFUSA-N 0 3 361.389 2.290 20 30 FEEDHN C#CCN(C)CCCNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000818606152 675228165 /nfs/dbraw/zinc/22/81/65/675228165.db2.gz FJUBYOZNADPVQB-UHFFFAOYSA-N 0 3 351.491 2.095 20 30 FEEDHN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000567627990 675307864 /nfs/dbraw/zinc/30/78/64/675307864.db2.gz GSRJSIYQEUMLTJ-CQSZACIVSA-N 0 3 353.463 2.237 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCC[C@@](C)(O)COC ZINC000824559129 675610083 /nfs/dbraw/zinc/61/00/83/675610083.db2.gz HFBGAXBPDPLUIN-MRXNPFEDSA-N 0 3 356.260 2.338 20 30 FEEDHN C=CCOc1c(Cl)cc(CNC[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000623346990 676530362 /nfs/dbraw/zinc/53/03/62/676530362.db2.gz KLVBXQUDZIXEBM-GFCCVEGCSA-N 0 3 359.875 2.438 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000645232935 677255984 /nfs/dbraw/zinc/25/59/84/677255984.db2.gz ZIERWMMZTDWTLB-UHFFFAOYSA-N 0 3 353.369 2.458 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000656311151 677740631 /nfs/dbraw/zinc/74/06/31/677740631.db2.gz JVEDQNXHOMMJBG-ZDUSSCGKSA-N 0 3 357.445 2.083 20 30 FEEDHN CCOC(=O)[C@H]1[C@@H](NCC(C)(C)CC#N)CCN1C(=O)OC(C)(C)C ZINC000840788258 680842920 /nfs/dbraw/zinc/84/29/20/680842920.db2.gz WYKNXCKHWLRXMG-UONOGXRCSA-N 0 3 353.463 2.457 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001027075518 680354355 /nfs/dbraw/zinc/35/43/55/680354355.db2.gz UQCJEIQWCOVTSD-IYOUNJFTSA-N 0 3 350.409 2.494 20 30 FEEDHN COC(=O)C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000754523052 680361111 /nfs/dbraw/zinc/36/11/11/680361111.db2.gz ZGPNQXSAYVTEPB-IINYFYTJSA-N 0 3 361.467 2.367 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cc(OC)ns1 ZINC001034941439 680440991 /nfs/dbraw/zinc/44/09/91/680440991.db2.gz KAUDMOKHJFASJY-BMFZPTHFSA-N 0 3 365.499 2.214 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1CCCC1CCOCC1 ZINC001038265614 680454227 /nfs/dbraw/zinc/45/42/27/680454227.db2.gz FVXOFPKVHYOYQY-OTWHNJEPSA-N 0 3 350.503 2.365 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000836488986 680476120 /nfs/dbraw/zinc/47/61/20/680476120.db2.gz SNIICVLKVOKNDX-AWEZNQCLSA-N 0 3 352.504 2.337 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000770886070 681031034 /nfs/dbraw/zinc/03/10/34/681031034.db2.gz SOUYHTXKAYFABX-MRXNPFEDSA-N 0 3 354.372 2.200 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNCc2sccc2Cl)C1 ZINC001051834200 681069691 /nfs/dbraw/zinc/06/96/91/681069691.db2.gz JIORNEBIXDPWTP-GUTXKFCHSA-N 0 3 370.902 2.310 20 30 FEEDHN COC(=O)c1cnc([C@@H]2CCN(C[C@H](O)c3ccc(C#N)cc3)C2)s1 ZINC000932670200 681282310 /nfs/dbraw/zinc/28/23/10/681282310.db2.gz VYCZUTSDZLABCB-CABCVRRESA-N 0 3 357.435 2.324 20 30 FEEDHN COC(=O)c1cnc([C@@H]2CCN(C[C@@H](O)c3ccc(C#N)cc3)C2)s1 ZINC000932670202 681282590 /nfs/dbraw/zinc/28/25/90/681282590.db2.gz VYCZUTSDZLABCB-HUUCEWRRSA-N 0 3 357.435 2.324 20 30 FEEDHN CO[C@@H](C(=O)C(C#N)C(=O)NC1CC1)c1ccccc1Br ZINC000847623554 681407441 /nfs/dbraw/zinc/40/74/41/681407441.db2.gz ASVNGUSIFBUDNH-BXUZGUMPSA-N 0 3 351.200 2.124 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCOC[C@@H]2OCCOC)c([O-])c1 ZINC000776721625 681430047 /nfs/dbraw/zinc/43/00/47/681430047.db2.gz INRBYJNQJSCKMR-DITKOHGZSA-N 0 3 350.459 2.478 20 30 FEEDHN C=C(CC)CN1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000776837156 681439556 /nfs/dbraw/zinc/43/95/56/681439556.db2.gz FHKVLXVKJICBEE-MRXNPFEDSA-N 0 3 351.491 2.496 20 30 FEEDHN C=C(CC)CN1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000776837152 681439576 /nfs/dbraw/zinc/43/95/76/681439576.db2.gz FHKVLXVKJICBEE-INIZCTEOSA-N 0 3 351.491 2.496 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(C)C)CCO2 ZINC000949489800 681643846 /nfs/dbraw/zinc/64/38/46/681643846.db2.gz QXMWFKBBBPRYGC-ROUUACIJSA-N 0 3 350.503 2.460 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000913952279 685490052 /nfs/dbraw/zinc/49/00/52/685490052.db2.gz FQWLXMNJFBITMZ-IBGZPJMESA-N 0 3 364.511 2.499 20 30 FEEDHN Cn1cc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000850760130 681956864 /nfs/dbraw/zinc/95/68/64/681956864.db2.gz WDOVFMPMWZHPEE-LLVKDONJSA-N 0 3 366.208 2.402 20 30 FEEDHN COc1cc(Br)ccc1CCC(=O)C(C#N)C(=O)NC1CC1 ZINC000782580602 682059913 /nfs/dbraw/zinc/05/99/13/682059913.db2.gz AZNWNGPMRJXZGZ-ZDUSSCGKSA-N 0 3 365.227 2.378 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000916871750 685528381 /nfs/dbraw/zinc/52/83/81/685528381.db2.gz XFZIZGCHPIOIRA-IUODEOHRSA-N 0 3 350.440 2.037 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000786181604 682357502 /nfs/dbraw/zinc/35/75/02/682357502.db2.gz IBEIHIUIJAHPRD-GOEBONIOSA-N 0 3 351.491 2.399 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000786928107 682420056 /nfs/dbraw/zinc/42/00/56/682420056.db2.gz BFHHPMKDDUWHQV-FOGDFJRCSA-N 0 3 365.792 2.418 20 30 FEEDHN N#CC(C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796891271 683204538 /nfs/dbraw/zinc/20/45/38/683204538.db2.gz FIGMELBPNGEGNN-YPMHNXCESA-N 0 3 351.309 2.355 20 30 FEEDHN COC[C@]1(C)CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000860199012 683214561 /nfs/dbraw/zinc/21/45/61/683214561.db2.gz CWDKVGSJOZJWIP-UGSOOPFHSA-N 0 3 359.451 2.210 20 30 FEEDHN C=CCCS(=O)(=O)NCC1(N(C)Cc2ccccc2)CCOCC1 ZINC000921631357 683526275 /nfs/dbraw/zinc/52/62/75/683526275.db2.gz KFLMIGKOEOTXJC-UHFFFAOYSA-N 0 3 352.500 2.163 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1nc(Br)sc1Cl ZINC000868581523 684513808 /nfs/dbraw/zinc/51/38/08/684513808.db2.gz IKFXMDJKVKCFFT-UHFFFAOYSA-N 0 3 350.669 2.244 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)[C@H]1CCOC1 ZINC000870138045 684687026 /nfs/dbraw/zinc/68/70/26/684687026.db2.gz ATWXCYZDIUKUFB-OZVIIMIRSA-N 0 3 350.802 2.429 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](N)c2cccc(Br)c2)CC1 ZINC000870883064 684766163 /nfs/dbraw/zinc/76/61/63/684766163.db2.gz LFGOSXVTTQTVSC-HNNXBMFYSA-N 0 3 352.276 2.216 20 30 FEEDHN C=C(Cl)C[C@H](N)c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000872178280 684924836 /nfs/dbraw/zinc/92/48/36/684924836.db2.gz UIACEPHLFBXTJH-AWEZNQCLSA-N 0 3 362.865 2.416 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000876577455 686222985 /nfs/dbraw/zinc/22/29/85/686222985.db2.gz ZNFIBXYMOJEYBZ-AWEZNQCLSA-N 0 3 356.253 2.094 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000876580537 686223834 /nfs/dbraw/zinc/22/38/34/686223834.db2.gz NFZGDLGPWRDHKV-OAHLLOKOSA-N 0 3 353.825 2.016 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000876619681 686229656 /nfs/dbraw/zinc/22/96/56/686229656.db2.gz BNCGGJQYWRZKLH-YPMHNXCESA-N 0 3 366.767 2.031 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000876629826 686232602 /nfs/dbraw/zinc/23/26/02/686232602.db2.gz NOJHPYRZNAEWBY-QGZVFWFLSA-N 0 3 363.889 2.320 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000876633026 686233165 /nfs/dbraw/zinc/23/31/65/686233165.db2.gz QERBQDCOQFGJET-OAHLLOKOSA-N 0 3 367.902 2.213 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000876749343 686259852 /nfs/dbraw/zinc/25/98/52/686259852.db2.gz JJCDUWUHVYLKHE-CZUORRHYSA-N 0 3 364.877 2.200 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000876757295 686261510 /nfs/dbraw/zinc/26/15/10/686261510.db2.gz BSJGRMDVEUBXLE-RYUDHWBXSA-N 0 3 359.804 2.453 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000876977893 686303690 /nfs/dbraw/zinc/30/36/90/686303690.db2.gz BXHNTLFKQPSLHO-DLBZAZTESA-N 0 3 352.862 2.468 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000877248421 686343250 /nfs/dbraw/zinc/34/32/50/686343250.db2.gz MFBJCQJOPGTEBU-SECBINFHSA-N 0 3 350.772 2.324 20 30 FEEDHN C#CCC1(O)CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000880476761 687052427 /nfs/dbraw/zinc/05/24/27/687052427.db2.gz FOEAXPHWYNBPJE-OAHLLOKOSA-N 0 3 368.271 2.039 20 30 FEEDHN N#CCOc1ccc(Cl)cc1Cn1cc([C@H](N)C2CCOCC2)nn1 ZINC000881302165 687122975 /nfs/dbraw/zinc/12/29/75/687122975.db2.gz NBXJGKODBFZDEN-QGZVFWFLSA-N 0 3 361.833 2.309 20 30 FEEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000882769100 687480647 /nfs/dbraw/zinc/48/06/47/687480647.db2.gz IBPLQXWIOFYZOM-UHFFFAOYSA-N 0 3 353.875 2.461 20 30 FEEDHN CC1(C)Cc2nc(NC(=O)C3CC4(C3)CNC[C@@H]4C#N)sc2C(=O)C1 ZINC000884048367 687778273 /nfs/dbraw/zinc/77/82/73/687778273.db2.gz INHRQYFXUAOILQ-PNSNSFJUSA-N 0 3 358.467 2.376 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)CC1 ZINC000884131238 687796883 /nfs/dbraw/zinc/79/68/83/687796883.db2.gz GHXUTHXIKZOCHN-AYBZRNKSSA-N 0 3 351.491 2.053 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CCC(Oc3cncc(Cl)n3)CC2)CCC1 ZINC000886144557 688207009 /nfs/dbraw/zinc/20/70/09/688207009.db2.gz BBLCZVQTZRBPCI-CYBMUJFWSA-N 0 3 350.850 2.418 20 30 FEEDHN C#CCN(C(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886577375 688278577 /nfs/dbraw/zinc/27/85/77/688278577.db2.gz GHORZLAUTREITB-HUUCEWRRSA-N 0 3 351.491 2.092 20 30 FEEDHN C#CCN(C(=O)c1ccc(N)c(OC(F)(F)F)c1)C1CCN(C)CC1 ZINC000886575702 688278799 /nfs/dbraw/zinc/27/87/99/688278799.db2.gz GRIIXBXGYPWXJW-UHFFFAOYSA-N 0 3 355.360 2.337 20 30 FEEDHN C#CCN(C(=O)COc1cccc(Br)c1)C1CCN(C)CC1 ZINC000886589078 688280234 /nfs/dbraw/zinc/28/02/34/688280234.db2.gz IXPKDVTXJFRWAS-UHFFFAOYSA-N 0 3 365.271 2.384 20 30 FEEDHN CC(C)CNC(=O)C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000890459047 688923556 /nfs/dbraw/zinc/92/35/56/688923556.db2.gz KBNLQSBLLGKLFK-UHFFFAOYSA-N 0 3 362.499 2.433 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@]23CCC[C@]2(OCC)OCC3)CC1 ZINC000892851495 689253580 /nfs/dbraw/zinc/25/35/80/689253580.db2.gz JSTHPEHXZWJRSV-MOPGFXCFSA-N 0 3 351.491 2.402 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)NCc2nc(C#N)cs2)CN1Cc1ccccc1 ZINC000893621236 689376574 /nfs/dbraw/zinc/37/65/74/689376574.db2.gz LCGRGXJYQIRYCM-HIFRSBDPSA-N 0 3 355.467 2.477 20 30 FEEDHN C[C@H]1[C@@H](NC(=O)NCc2nc(C#N)cs2)CCN1Cc1ccccc1 ZINC000894884958 689613908 /nfs/dbraw/zinc/61/39/08/689613908.db2.gz MSMNOAVGUAZKAU-BBRMVZONSA-N 0 3 355.467 2.477 20 30 FEEDHN C#CCN(C(=O)CN(C)CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899270399 690328269 /nfs/dbraw/zinc/32/82/69/690328269.db2.gz CKEFDNZAOOGJSM-UHFFFAOYSA-N 0 3 351.491 2.190 20 30 FEEDHN C=CCN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000900310332 690498929 /nfs/dbraw/zinc/49/89/29/690498929.db2.gz OKVSEOUCHCPEJT-MRXNPFEDSA-N 0 3 361.467 2.106 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@@H]3C2)cn1 ZINC001164761045 721091499 /nfs/dbraw/zinc/09/14/99/721091499.db2.gz ALNHMURJKAABKW-MSOLQXFVSA-N 0 3 373.464 2.193 20 30 FEEDHN N#CCc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978003 722131203 /nfs/dbraw/zinc/13/12/03/722131203.db2.gz JDCCMRNTNVGVQO-PMACEKPBSA-N 0 3 363.465 2.270 20 30 FEEDHN CC(C)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549344664 674035249 /nfs/dbraw/zinc/03/52/49/674035249.db2.gz VADSHRILCDFUQZ-RDJZCZTQSA-N 0 3 352.841 2.232 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C)C1 ZINC000041653149 540029645 /nfs/dbraw/zinc/02/96/45/540029645.db2.gz OCMWGFHIVTVYNC-STQMWFEESA-N 0 3 362.861 2.387 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000042903342 540083032 /nfs/dbraw/zinc/08/30/32/540083032.db2.gz LOSLLXRLLOEKST-UHFFFAOYSA-N 0 3 365.437 2.253 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000047416590 540308504 /nfs/dbraw/zinc/30/85/04/540308504.db2.gz JJMFEJHGCVSUSF-GJZGRUSLSA-N 0 3 372.513 2.280 20 30 FEEDHN C[C@@H]1CN(C(=O)C2CCN(CCOc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000051764630 540443502 /nfs/dbraw/zinc/44/35/02/540443502.db2.gz PVDCTMXAOXOCOK-CALCHBBNSA-N 0 3 371.481 2.285 20 30 FEEDHN CCCCN(C)C(=O)C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000052185833 540457258 /nfs/dbraw/zinc/45/72/58/540457258.db2.gz CQIKKKQIYJTNPE-LJQANCHMSA-N 0 3 373.497 2.268 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052930231 540500242 /nfs/dbraw/zinc/50/02/42/540500242.db2.gz LGANZAVPGGQOKC-HNNXBMFYSA-N 0 3 360.483 2.187 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNC(=O)Nc2cccc(C#N)c2)c1 ZINC000060375507 541108213 /nfs/dbraw/zinc/10/82/13/541108213.db2.gz RRMMKGJGXYWVJE-UHFFFAOYSA-N 0 3 365.437 2.171 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCCN(C3CC3)CC2)c(OC)c1 ZINC000061041170 541125931 /nfs/dbraw/zinc/12/59/31/541125931.db2.gz WCASJVXSFCOPMB-IBGZPJMESA-N 0 3 360.498 2.334 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066623380 541348614 /nfs/dbraw/zinc/34/86/14/541348614.db2.gz ITZRLHAMTHHUPI-GOSISDBHSA-N 0 3 356.470 2.266 20 30 FEEDHN N#Cc1cccnc1N1CCCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000067460051 541467234 /nfs/dbraw/zinc/46/72/34/541467234.db2.gz YIJKMRVPXMFOPH-HXUWFJFHSA-N 0 3 366.465 2.043 20 30 FEEDHN C[C@H](OC[C@@H]1CCCCO1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068309992 541575498 /nfs/dbraw/zinc/57/54/98/541575498.db2.gz NBACVUQRIWSKCG-PXNSSMCTSA-N 0 3 373.497 2.423 20 30 FEEDHN CCN1CCC(n2nccc2NC(=O)COc2ccccc2C#N)CC1 ZINC000068742797 541624331 /nfs/dbraw/zinc/62/43/31/541624331.db2.gz BMVKHGGPTGRHOT-UHFFFAOYSA-N 0 3 353.426 2.429 20 30 FEEDHN C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)N(C)C1CC1 ZINC000069440497 541687025 /nfs/dbraw/zinc/68/70/25/541687025.db2.gz RCKACKRYFWHKCI-HOCLYGCPSA-N 0 3 373.476 2.448 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](CCC)NC(=O)Cc2ccccc2)CC1 ZINC000069703805 541705939 /nfs/dbraw/zinc/70/59/39/541705939.db2.gz JQPTUSKBWMCWFV-LJQANCHMSA-N 0 3 357.498 2.281 20 30 FEEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000072776502 541863858 /nfs/dbraw/zinc/86/38/58/541863858.db2.gz AUBNHCIYIRECTM-MAUKXSAKSA-N 0 3 373.501 2.404 20 30 FEEDHN CCCCCNC(=O)C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000051800265 205184307 /nfs/dbraw/zinc/18/43/07/205184307.db2.gz WBEFMOSQBKBSQV-LJQANCHMSA-N 0 3 373.497 2.316 20 30 FEEDHN CCN1CCC(n2nccc2NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000073024965 541909503 /nfs/dbraw/zinc/90/95/03/541909503.db2.gz QJJKMTYWABMPLO-UHFFFAOYSA-N 0 3 353.426 2.429 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)C(C)C ZINC000073806520 542002435 /nfs/dbraw/zinc/00/24/35/542002435.db2.gz MUXKCBCRUFJLID-QGZVFWFLSA-N 0 3 357.454 2.446 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)CC1 ZINC000076512890 542288130 /nfs/dbraw/zinc/28/81/30/542288130.db2.gz GBVBRBAZCJUSEE-UHFFFAOYSA-N 0 3 363.433 2.318 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)ccc1F ZINC000076639446 542303107 /nfs/dbraw/zinc/30/31/07/542303107.db2.gz SJDILEJNCAKXFP-MRXNPFEDSA-N 0 3 358.417 2.017 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC(O)CC2)c1C#N ZINC000078390967 542459848 /nfs/dbraw/zinc/45/98/48/542459848.db2.gz AQEWKFVRRYGKMH-UHFFFAOYSA-N 0 3 370.453 2.403 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)NCCC ZINC000078557820 542467191 /nfs/dbraw/zinc/46/71/91/542467191.db2.gz QLCFHAHFYVSPBS-HNNXBMFYSA-N 0 3 365.547 2.499 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000078801204 542481923 /nfs/dbraw/zinc/48/19/23/542481923.db2.gz GAXCLNAZOTZFHN-SFHVURJKSA-N 0 3 374.485 2.177 20 30 FEEDHN C[C@@H](C#N)OCCN(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000801946948 674156502 /nfs/dbraw/zinc/15/65/02/674156502.db2.gz QTECGYNMMVRKIY-GJZGRUSLSA-N 0 3 351.472 2.148 20 30 FEEDHN C=CCOCCCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000079611219 542531115 /nfs/dbraw/zinc/53/11/15/542531115.db2.gz PLDKPRGJXUMULG-UHFFFAOYSA-N 0 3 359.470 2.305 20 30 FEEDHN CN(C)CCN1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CC1=O ZINC000081368469 542651530 /nfs/dbraw/zinc/65/15/30/542651530.db2.gz PVIWVJNFYGUHMJ-WMZOPIPTSA-N 0 3 370.497 2.075 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000081996501 542682183 /nfs/dbraw/zinc/68/21/83/542682183.db2.gz YZIWCGDCGLJIMD-UHFFFAOYSA-N 0 3 359.470 2.137 20 30 FEEDHN C=CCOc1ccccc1CNC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000084961789 542723365 /nfs/dbraw/zinc/72/33/65/542723365.db2.gz COCYRAXKNRQFBC-UHFFFAOYSA-N 0 3 350.484 2.298 20 30 FEEDHN CN(CCC1CCN(c2ccncc2)CC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000092820948 542888394 /nfs/dbraw/zinc/88/83/94/542888394.db2.gz OZAHKLVNLVTQDZ-OAQYLSRUSA-N 0 3 369.513 2.428 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(Cc3cc(C#N)cs3)CC2)CC1 ZINC000093141999 542912083 /nfs/dbraw/zinc/91/20/83/542912083.db2.gz BAYVWBBYTITTHX-UHFFFAOYSA-N 0 3 360.527 2.386 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(n2cncn2)CC1)C(C)C ZINC000101791167 543045725 /nfs/dbraw/zinc/04/57/25/543045725.db2.gz RXRPDDVZLINQCB-SFHVURJKSA-N 0 3 360.506 2.323 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000103466783 543108989 /nfs/dbraw/zinc/10/89/89/543108989.db2.gz WOXGPSSQHKZQNK-MRXNPFEDSA-N 0 3 364.453 2.304 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 ZINC000106034191 543186151 /nfs/dbraw/zinc/18/61/51/543186151.db2.gz YPKRRXBTDBRAFV-FQEVSTJZSA-N 0 3 369.509 2.377 20 30 FEEDHN N#C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCO1 ZINC000106046125 543187061 /nfs/dbraw/zinc/18/70/61/543187061.db2.gz ZROTUOPRJMTAOB-WBVHZDCISA-N 0 3 367.371 2.192 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000106340792 543224150 /nfs/dbraw/zinc/22/41/50/543224150.db2.gz CBVRAAKLVYCJLI-GOSISDBHSA-N 0 3 370.497 2.411 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(COCC)c2)CC1 ZINC000106349042 543224702 /nfs/dbraw/zinc/22/47/02/543224702.db2.gz WOTJKOVFZDTWEW-UHFFFAOYSA-N 0 3 359.470 2.318 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000106349257 543224711 /nfs/dbraw/zinc/22/47/11/543224711.db2.gz NYHZYPOOADOLIC-UHFFFAOYSA-N 0 3 370.497 2.382 20 30 FEEDHN N#C[C@]1(NC(=O)CCCN2CCN(c3ccccc3)CC2)CCSC1 ZINC000111566220 543406746 /nfs/dbraw/zinc/40/67/46/543406746.db2.gz WKUFKQFHJFBRFO-LJQANCHMSA-N 0 3 358.511 2.104 20 30 FEEDHN CN(CCC#N)c1ccc(CN[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000112101996 543430649 /nfs/dbraw/zinc/43/06/49/543430649.db2.gz PAKAHSMUIHWJIV-HNNXBMFYSA-N 0 3 354.376 2.289 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-n2cncn2)nc1)C(C)C ZINC000112919789 543468523 /nfs/dbraw/zinc/46/85/23/543468523.db2.gz GQKRSNZDJPAMIA-KRWDZBQOSA-N 0 3 354.458 2.091 20 30 FEEDHN O=C(NCCNCc1ccc(OC(F)(F)F)cc1)C1N=CC=CC1=O ZINC000113360760 543484605 /nfs/dbraw/zinc/48/46/05/543484605.db2.gz DUPYCBYTKITUER-PFONDFGASA-N 0 3 355.316 2.201 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000113498443 543489337 /nfs/dbraw/zinc/48/93/37/543489337.db2.gz BMFDEBVKPDXGBO-JTQLQIEISA-N 0 3 370.377 2.225 20 30 FEEDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000114803198 543537441 /nfs/dbraw/zinc/53/74/41/543537441.db2.gz RYVSXBLDBJKIBG-WBVHZDCISA-N 0 3 366.469 2.135 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000118129302 543647583 /nfs/dbraw/zinc/64/75/83/543647583.db2.gz XIRXIBXUNCESFJ-KBPBESRZSA-N 0 3 374.510 2.476 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000119433059 543667576 /nfs/dbraw/zinc/66/75/76/543667576.db2.gz KYPQRDFKBOSHFW-MJGOQNOKSA-N 0 3 357.502 2.289 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123288521 543752613 /nfs/dbraw/zinc/75/26/13/543752613.db2.gz QGTFLOYDWFXLTF-CXAGYDPISA-N 0 3 368.485 2.092 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000125346558 543876494 /nfs/dbraw/zinc/87/64/94/543876494.db2.gz PZVBFZJQJKAHKJ-UHFFFAOYSA-N 0 3 366.421 2.384 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CN1C1CC1 ZINC000127833990 544016412 /nfs/dbraw/zinc/01/64/12/544016412.db2.gz AZBPLNZRKPIONS-ZBFHGGJFSA-N 0 3 371.460 2.154 20 30 FEEDHN Cc1ccc(-n2nc(CCCNC(=O)CN(C)C(C)C)c(C#N)c2N)cc1 ZINC000127516842 543997333 /nfs/dbraw/zinc/99/73/33/543997333.db2.gz SQQRDOCKJPRSNQ-UHFFFAOYSA-N 0 3 368.485 2.024 20 30 FEEDHN CC(C)C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)C(=O)NCCN(C)C ZINC000129491685 544115113 /nfs/dbraw/zinc/11/51/13/544115113.db2.gz XKHILFUOJGPOJX-ZDUSSCGKSA-N 0 3 371.407 2.476 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC4(C3)CCCCC4)CC2)o1 ZINC000130027233 544136169 /nfs/dbraw/zinc/13/61/69/544136169.db2.gz GCNLRJIUGNDYFC-UHFFFAOYSA-N 0 3 371.485 2.160 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3CC(C)C)CC2)o1 ZINC000130245827 544144431 /nfs/dbraw/zinc/14/44/31/544144431.db2.gz WIPPPGQZGRWGML-MRXNPFEDSA-N 0 3 359.474 2.014 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000131821448 544208188 /nfs/dbraw/zinc/20/81/88/544208188.db2.gz HDNNGMVYVCBUIF-GOSISDBHSA-N 0 3 371.485 2.425 20 30 FEEDHN CN(C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)c1 ZINC000135852598 544362371 /nfs/dbraw/zinc/36/23/71/544362371.db2.gz IFPCBUJFZIOLPA-UHFFFAOYSA-N 0 3 354.385 2.014 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)N(C)Cc1ccccc1 ZINC000136245186 544369758 /nfs/dbraw/zinc/36/97/58/544369758.db2.gz MJZMDYXQTOQFRP-CQSZACIVSA-N 0 3 368.412 2.273 20 30 FEEDHN CCN(C(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153275709 544755224 /nfs/dbraw/zinc/75/52/24/544755224.db2.gz ITLWJSXVOOOIIV-AWEZNQCLSA-N 0 3 354.458 2.170 20 30 FEEDHN CCCN1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000155073346 544985707 /nfs/dbraw/zinc/98/57/07/544985707.db2.gz MZFTXXCITSBYGB-UHFFFAOYSA-N 0 3 372.469 2.252 20 30 FEEDHN CC(C)C(=O)N1CCC(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000179970392 327666364 /nfs/dbraw/zinc/66/63/64/327666364.db2.gz UCENKWDJXZHMRZ-IBGZPJMESA-N 0 3 368.481 2.290 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000184615899 327875576 /nfs/dbraw/zinc/87/55/76/327875576.db2.gz VLIYYJZSPWJIIN-INIZCTEOSA-N 0 3 356.426 2.061 20 30 FEEDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(F)cc2C#N)o1 ZINC000189368263 328143725 /nfs/dbraw/zinc/14/37/25/328143725.db2.gz IAWXMDFSNITHDK-UHFFFAOYSA-N 0 3 372.400 2.128 20 30 FEEDHN CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@@H](O)c3ccc(C#N)cc3)C[C@H]2C1 ZINC000193488218 328378189 /nfs/dbraw/zinc/37/81/89/328378189.db2.gz XBENULRQLRFNLX-FGTMMUONSA-N 0 3 357.454 2.390 20 30 FEEDHN COC[C@](C)(CCO)NCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000079928938 325110283 /nfs/dbraw/zinc/11/02/83/325110283.db2.gz NBLRMJQZHNFMHZ-SFHVURJKSA-N 0 3 365.499 2.204 20 30 FEEDHN COc1ccc(CNC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1C#N ZINC000089799480 325333715 /nfs/dbraw/zinc/33/37/15/325333715.db2.gz HAFBPDHAWRQVHO-PMACEKPBSA-N 0 3 351.450 2.292 20 30 FEEDHN N#Cc1ccccc1OCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093065277 325433142 /nfs/dbraw/zinc/43/31/42/325433142.db2.gz XNMWDPGGTQSHHQ-UHFFFAOYSA-N 0 3 350.422 2.365 20 30 FEEDHN CC(C)[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCCCC1 ZINC000104221232 325534503 /nfs/dbraw/zinc/53/45/03/325534503.db2.gz NBIOACUWBGUYHO-SFHVURJKSA-N 0 3 355.486 2.112 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000132168357 326588285 /nfs/dbraw/zinc/58/82/85/326588285.db2.gz ZTJGBYVZSNAWTD-KRWDZBQOSA-N 0 3 357.454 2.404 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ncccc1F ZINC000132479987 326593342 /nfs/dbraw/zinc/59/33/42/326593342.db2.gz LRFGUSHURHLGMO-UHFFFAOYSA-N 0 3 355.417 2.366 20 30 FEEDHN CN(C)CCOc1ccccc1CNC(=O)CNc1cccc(C#N)c1 ZINC000155794429 326805271 /nfs/dbraw/zinc/80/52/71/326805271.db2.gz JDVDRGVRKUBTPT-UHFFFAOYSA-N 0 3 352.438 2.227 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)N(C)C ZINC000160129253 326954300 /nfs/dbraw/zinc/95/43/00/326954300.db2.gz WOASJHVXNHQSNF-QGZVFWFLSA-N 0 3 374.485 2.376 20 30 FEEDHN CN(CC1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccccc1C#N ZINC000165938588 327079709 /nfs/dbraw/zinc/07/97/09/327079709.db2.gz FJNWWTRAYUPZOS-UHFFFAOYSA-N 0 3 370.478 2.490 20 30 FEEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171083984 327116598 /nfs/dbraw/zinc/11/65/98/327116598.db2.gz MLBLGVSMHZJATQ-UHFFFAOYSA-N 0 3 372.494 2.486 20 30 FEEDHN Cc1nn(C)cc1[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000172600310 327210500 /nfs/dbraw/zinc/21/05/00/327210500.db2.gz HNKSHVSITOQWLQ-OAHLLOKOSA-N 0 3 368.485 2.435 20 30 FEEDHN Cc1nn(C)cc1[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000172600313 327210570 /nfs/dbraw/zinc/21/05/70/327210570.db2.gz HNKSHVSITOQWLQ-HNNXBMFYSA-N 0 3 368.485 2.435 20 30 FEEDHN N#Cc1ccc(OCCNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000173879972 327290950 /nfs/dbraw/zinc/29/09/50/327290950.db2.gz KMDMTIQJPBQEJW-UHFFFAOYSA-N 0 3 357.454 2.088 20 30 FEEDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000174009499 327301077 /nfs/dbraw/zinc/30/10/77/327301077.db2.gz UOJIADQLCJCBKL-CYBMUJFWSA-N 0 3 374.422 2.096 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000174789086 327351256 /nfs/dbraw/zinc/35/12/56/327351256.db2.gz XBMMVZVTFVNCRE-IJEWVQPXSA-N 0 3 356.470 2.288 20 30 FEEDHN C[C@H](CN1C[C@@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175969017 327425233 /nfs/dbraw/zinc/42/52/33/327425233.db2.gz HNMPWKLKPLYMCA-MELADBBJSA-N 0 3 360.433 2.118 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000176414643 327454558 /nfs/dbraw/zinc/45/45/58/327454558.db2.gz RAGXPZNODLHMNP-UHFFFAOYSA-N 0 3 374.485 2.126 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c(C(F)(F)F)c1 ZINC000266074613 329187755 /nfs/dbraw/zinc/18/77/55/329187755.db2.gz APISYWOAPZMRBQ-GFCCVEGCSA-N 0 3 373.400 2.340 20 30 FEEDHN N#Cc1cccc(NC(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000267113657 329293298 /nfs/dbraw/zinc/29/32/98/329293298.db2.gz YFIZLONZEVEBLQ-UHFFFAOYSA-N 0 3 368.397 2.014 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)c(Cl)c1 ZINC000269108816 329486497 /nfs/dbraw/zinc/48/64/97/329486497.db2.gz PRKBPJHEMDATDC-AWEZNQCLSA-N 0 3 360.845 2.237 20 30 FEEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000271824768 329728497 /nfs/dbraw/zinc/72/84/97/329728497.db2.gz PRRPXGGHYAFCCY-LIHGKODYSA-N 0 3 358.463 2.386 20 30 FEEDHN COc1ncc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1C(N)=O ZINC000272799618 329814255 /nfs/dbraw/zinc/81/42/55/329814255.db2.gz ZNEAOAHKBNPQNG-UHFFFAOYSA-N 0 3 365.437 2.137 20 30 FEEDHN C[C@@H](OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1nccn1C ZINC000805852743 674357565 /nfs/dbraw/zinc/35/75/65/674357565.db2.gz AZWDSRFENXAJNF-BXUZGUMPSA-N 0 3 360.801 2.499 20 30 FEEDHN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C([O-])=[NH+]CCn1cccc1 ZINC000328630859 523045621 /nfs/dbraw/zinc/04/56/21/523045621.db2.gz QHZVATNNYHEUQB-FUHWJXTLSA-N 0 3 358.490 2.151 20 30 FEEDHN CN(CCNS(=O)(=O)Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000161447857 546130920 /nfs/dbraw/zinc/13/09/20/546130920.db2.gz KHWGKRCMXGNVOI-UHFFFAOYSA-N 0 3 353.463 2.381 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000171557379 546213759 /nfs/dbraw/zinc/21/37/59/546213759.db2.gz CWHOZNUFQSJKSH-KRWDZBQOSA-N 0 3 356.470 2.132 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1 ZINC000171632998 546217681 /nfs/dbraw/zinc/21/76/81/546217681.db2.gz NRCNFEDAHNHWBM-OAHLLOKOSA-N 0 3 353.532 2.091 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000171717522 546220528 /nfs/dbraw/zinc/22/05/28/546220528.db2.gz OGMRCJAVIHVKRD-AWEZNQCLSA-N 0 3 361.873 2.460 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CSCN2C(=O)/C(C)=C/CC)CC1 ZINC000171715372 546220657 /nfs/dbraw/zinc/22/06/57/546220657.db2.gz PHZQDQNRBSPSSO-QHDPKREISA-N 0 3 351.516 2.011 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN2c2ncnc3sccc32)CC1 ZINC000171715077 546220748 /nfs/dbraw/zinc/22/07/48/546220748.db2.gz XYOFEPGLERQHLH-MRXNPFEDSA-N 0 3 371.510 2.427 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1 ZINC000171715622 546220962 /nfs/dbraw/zinc/22/09/62/546220962.db2.gz SMJHIQQAKBMPKG-LJQANCHMSA-N 0 3 355.482 2.423 20 30 FEEDHN C=CCN1CCC(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000171720837 546221495 /nfs/dbraw/zinc/22/14/95/546221495.db2.gz SVVQGTPRBAYCGF-UHFFFAOYSA-N 0 3 370.453 2.444 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCn3c(nnc3-c3ccccc3)C2)CC1 ZINC000174776312 546303169 /nfs/dbraw/zinc/30/31/69/546303169.db2.gz WQKQQYDVXRRBAU-UHFFFAOYSA-N 0 3 366.469 2.121 20 30 FEEDHN N#Cc1ccc(CC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000176043617 546396053 /nfs/dbraw/zinc/39/60/53/546396053.db2.gz MCKUKGGJZKCSDX-UHFFFAOYSA-N 0 3 363.461 2.374 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480695020 561214709 /nfs/dbraw/zinc/21/47/09/561214709.db2.gz IQTANEQSSIIOLP-ZIAGYGMSSA-N 0 3 353.463 2.237 20 30 FEEDHN C=CCN(CCC(=O)NC(=O)NCC(F)(F)F)CCc1ccccc1 ZINC000177025844 546526922 /nfs/dbraw/zinc/52/69/22/546526922.db2.gz PBOCCEZVTVZXGK-UHFFFAOYSA-N 0 3 357.376 2.495 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CN1C1CC1 ZINC000177146130 546554876 /nfs/dbraw/zinc/55/48/76/546554876.db2.gz UAXZLZKGOCONPB-IAGOWNOFSA-N 0 3 368.481 2.455 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1COCCN1C1CCCC1)C(C)C ZINC000480948462 561221081 /nfs/dbraw/zinc/22/10/81/561221081.db2.gz AXNCVMDIWXXOPJ-PMACEKPBSA-N 0 3 363.546 2.445 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c(F)c1 ZINC000481017989 561222956 /nfs/dbraw/zinc/22/29/56/561222956.db2.gz DJTYFXKOEPBUBF-OAHLLOKOSA-N 0 3 351.447 2.134 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@]2(O)CCOC2)cc1OC ZINC000179018596 546887418 /nfs/dbraw/zinc/88/74/18/546887418.db2.gz YQBZXWGINAJWNC-MRXNPFEDSA-N 0 3 372.259 2.264 20 30 FEEDHN C=CCN1CCC(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC000179668469 546995294 /nfs/dbraw/zinc/99/52/94/546995294.db2.gz RDXVIKRNCJNZRF-UHFFFAOYSA-N 0 3 358.408 2.371 20 30 FEEDHN CN(C)CCOC1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000482174740 561249637 /nfs/dbraw/zinc/24/96/37/561249637.db2.gz IZHLJGNZVDAGDM-UHFFFAOYSA-N 0 3 359.470 2.285 20 30 FEEDHN NC(=O)C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000181930209 547407252 /nfs/dbraw/zinc/40/72/52/547407252.db2.gz OMWQGEYMBIBDQR-INIZCTEOSA-N 0 3 354.372 2.317 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCOC2)cc1 ZINC000483614946 561280750 /nfs/dbraw/zinc/28/07/50/561280750.db2.gz BIVMGOZZRDREGW-GXTWGEPZSA-N 0 3 351.428 2.015 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cccc(-c3nnc(COC)o3)c2)CC1 ZINC000182033761 547425870 /nfs/dbraw/zinc/42/58/70/547425870.db2.gz BBKOKALCXFDEQB-UHFFFAOYSA-N 0 3 356.426 2.263 20 30 FEEDHN C#CCN1CCC(C(=O)NCCCCC(=O)OCc2ccccc2)CC1 ZINC000182381814 547481806 /nfs/dbraw/zinc/48/18/06/547481806.db2.gz BNQHJYPRDJJGLZ-UHFFFAOYSA-N 0 3 356.466 2.362 20 30 FEEDHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000182622029 547523452 /nfs/dbraw/zinc/52/34/52/547523452.db2.gz NXSJCTAZJPIYRJ-ZACQAIPSSA-N 0 3 360.527 2.435 20 30 FEEDHN C=C(C)COCCNC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000182723365 547541137 /nfs/dbraw/zinc/54/11/37/547541137.db2.gz JLTAHCKSJZDCSN-LJQANCHMSA-N 0 3 361.486 2.035 20 30 FEEDHN CC1(C)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000182803186 547554264 /nfs/dbraw/zinc/55/42/64/547554264.db2.gz BGOXJCFUELFWDU-GOSISDBHSA-N 0 3 358.461 2.266 20 30 FEEDHN C=CC[C@@H](CO)NC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000183079666 547598267 /nfs/dbraw/zinc/59/82/67/547598267.db2.gz FLBBZGQGKIBZQK-IBGZPJMESA-N 0 3 374.529 2.133 20 30 FEEDHN COCc1noc(CON=C(N)c2cccc(CN3CCCCC3)c2)n1 ZINC000183174810 547615790 /nfs/dbraw/zinc/61/57/90/547615790.db2.gz OUSMWHUHDOCTHX-UHFFFAOYSA-N 0 3 359.430 2.039 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 ZINC000183677311 547700525 /nfs/dbraw/zinc/70/05/25/547700525.db2.gz LDFVKFMUSRXMAB-OAHLLOKOSA-N 0 3 359.445 2.254 20 30 FEEDHN N#Cc1ccc(CN2CCCN(C(=O)CCCCc3cn[nH]n3)CC2)cc1 ZINC000184615524 547854209 /nfs/dbraw/zinc/85/42/09/547854209.db2.gz ZEORGXGGWUMFIF-UHFFFAOYSA-N 0 3 366.469 2.124 20 30 FEEDHN C=CCN1CCC(Nc2nc3ccccc3nc2N2CCN(C)CC2)CC1 ZINC000485171739 561314286 /nfs/dbraw/zinc/31/42/86/561314286.db2.gz IUPYFAMNZCGNMJ-UHFFFAOYSA-N 0 3 366.513 2.444 20 30 FEEDHN COC(=O)COc1ccc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000185671539 548018357 /nfs/dbraw/zinc/01/83/57/548018357.db2.gz GNBBIMKFOVFWPJ-LIRRHRJNSA-N 0 3 354.406 2.494 20 30 FEEDHN C=CCc1cc(CN[C@@H]2CCOC[C@@H]2OCCOC)cc(OC)c1O ZINC000485724318 561326631 /nfs/dbraw/zinc/32/66/31/561326631.db2.gz JPLLNVOAWKBBBX-AEFFLSMTSA-N 0 3 351.443 2.039 20 30 FEEDHN CCc1nnc(C2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)[nH]1 ZINC000190683064 548332138 /nfs/dbraw/zinc/33/21/38/548332138.db2.gz IKAKXYJZYSVLOT-UHFFFAOYSA-N 0 3 366.469 2.493 20 30 FEEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1-n1cnnn1 ZINC000190958293 548337859 /nfs/dbraw/zinc/33/78/59/548337859.db2.gz ZSFMDOWNSPZLBF-ZDUSSCGKSA-N 0 3 371.360 2.104 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245609049 548957576 /nfs/dbraw/zinc/95/75/76/548957576.db2.gz KWBPTZWCILVFAH-FUHWJXTLSA-N 0 3 369.465 2.421 20 30 FEEDHN C[C@H](C1CC1)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245843333 549002563 /nfs/dbraw/zinc/00/25/63/549002563.db2.gz DEEPZBNWZHCSCZ-DNVCBOLYSA-N 0 3 358.461 2.265 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000488670193 561394317 /nfs/dbraw/zinc/39/43/17/561394317.db2.gz ACKNWRZPFFJRIM-RXVVDRJESA-N 0 3 374.525 2.340 20 30 FEEDHN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000248872463 549518885 /nfs/dbraw/zinc/51/88/85/549518885.db2.gz KTTXIBYVBHUOFX-FPOVZHCZSA-N 0 3 354.498 2.391 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN1CCNC[C@@H]1c1nccn1C ZINC000261860476 549763105 /nfs/dbraw/zinc/76/31/05/549763105.db2.gz ZGMAPCIYSJTLPQ-MRXNPFEDSA-N 0 3 371.510 2.283 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000490245536 561429478 /nfs/dbraw/zinc/42/94/78/561429478.db2.gz LPJGFJGDGHAMSU-QZTJIDSGSA-N 0 3 373.497 2.170 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 ZINC000264492323 549996871 /nfs/dbraw/zinc/99/68/71/549996871.db2.gz OFKAVOHDFRBCED-SFHVURJKSA-N 0 3 355.482 2.110 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000264517296 549997195 /nfs/dbraw/zinc/99/71/95/549997195.db2.gz VMERXKJGVFTGGN-SFHVURJKSA-N 0 3 359.445 2.335 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(CC(=O)NC)CC1)C(C)C ZINC000266843072 550024413 /nfs/dbraw/zinc/02/44/13/550024413.db2.gz IOCOWUGWSZBQJQ-SFHVURJKSA-N 0 3 364.534 2.243 20 30 FEEDHN Cc1cccc(CNC(=O)CON=C(N)c2ccc(CN(C)C)cc2)c1 ZINC000267004337 550026379 /nfs/dbraw/zinc/02/63/79/550026379.db2.gz IUKUCADGRKOBSH-UHFFFAOYSA-N 0 3 354.454 2.010 20 30 FEEDHN C#CC[C@H](NC(=O)NC[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC000270478425 550276138 /nfs/dbraw/zinc/27/61/38/550276138.db2.gz WFMNZWNDEOLZNT-QUCCMNQESA-N 0 3 356.514 2.324 20 30 FEEDHN COc1ccc(CN(C)CCC(=O)N(C)CCC#N)cc1OC(F)F ZINC000270619618 550289894 /nfs/dbraw/zinc/28/98/94/550289894.db2.gz DDNOAVYXVUAYNI-UHFFFAOYSA-N 0 3 355.385 2.491 20 30 FEEDHN C#CCOc1ccc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000270831867 550311638 /nfs/dbraw/zinc/31/16/38/550311638.db2.gz CTULEDNENSZWOH-UHFFFAOYSA-N 0 3 369.509 2.329 20 30 FEEDHN CCOc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1[N+](=O)[O-] ZINC000271432242 550374825 /nfs/dbraw/zinc/37/48/25/550374825.db2.gz DYUUHILFOUAEDK-GHXQLAGASA-N 0 3 374.397 2.171 20 30 FEEDHN COc1cc(C)c([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000271514002 550381499 /nfs/dbraw/zinc/38/14/99/550381499.db2.gz SZAJINRXVJDEFS-LTFJSZEESA-N 0 3 359.426 2.189 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@H]2C1 ZINC000272455895 550450050 /nfs/dbraw/zinc/45/00/50/550450050.db2.gz JYMAXLAEAXAMSJ-MJGOQNOKSA-N 0 3 368.481 2.266 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000272639326 550462341 /nfs/dbraw/zinc/46/23/41/550462341.db2.gz ZXLMSSMHYSSMAA-CVEARBPZSA-N 0 3 370.453 2.003 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000275876258 550575184 /nfs/dbraw/zinc/57/51/84/550575184.db2.gz QKVHFLWTXKKTAJ-CQSZACIVSA-N 0 3 374.510 2.477 20 30 FEEDHN C=CCc1cc(CN(C)CCOCCOCCOC)cc(OC)c1O ZINC000276231021 550577520 /nfs/dbraw/zinc/57/75/20/550577520.db2.gz RVAHUEIRCXNVJD-UHFFFAOYSA-N 0 3 353.459 2.241 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)cnc2Cl)CC1 ZINC000276292587 550577903 /nfs/dbraw/zinc/57/79/03/550577903.db2.gz DBDHILADYJOXML-UHFFFAOYSA-N 0 3 350.850 2.139 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278306360 550770996 /nfs/dbraw/zinc/77/09/96/550770996.db2.gz ARXHBNXAZPVSCJ-AWEZNQCLSA-N 0 3 358.442 2.284 20 30 FEEDHN CCCC(=O)NC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279393838 550885220 /nfs/dbraw/zinc/88/52/20/550885220.db2.gz ACVNUPAQRTWNLP-RBUKOAKNSA-N 0 3 366.465 2.395 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 ZINC000279964441 550947625 /nfs/dbraw/zinc/94/76/25/550947625.db2.gz HHCBWAJORNBGBN-ROUUACIJSA-N 0 3 353.422 2.433 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CCCN(C(C)C)CC3)CC2)o1 ZINC000280182268 550968736 /nfs/dbraw/zinc/96/87/36/550968736.db2.gz GVZKDNXXBBZWRA-UHFFFAOYSA-N 0 3 359.474 2.014 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nnc(C3CC3)n2C2CC2)cc1 ZINC000280304345 550978774 /nfs/dbraw/zinc/97/87/74/550978774.db2.gz NAWZOUOVWKPOSU-INIZCTEOSA-N 0 3 360.421 2.361 20 30 FEEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280408076 550990391 /nfs/dbraw/zinc/99/03/91/550990391.db2.gz YHWBFFOMVNEBES-SFHVURJKSA-N 0 3 370.497 2.160 20 30 FEEDHN Cc1ccc(N2CC[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000280432675 550993154 /nfs/dbraw/zinc/99/31/54/550993154.db2.gz MNTKWKUSFYZMNJ-QUCCMNQESA-N 0 3 372.428 2.471 20 30 FEEDHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280792923 551032970 /nfs/dbraw/zinc/03/29/70/551032970.db2.gz FUIIIECQXGAADD-OALUTQOASA-N 0 3 366.465 2.251 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000280840973 551037762 /nfs/dbraw/zinc/03/77/62/551037762.db2.gz XJGZJWDZSNBDSV-OAHLLOKOSA-N 0 3 366.421 2.409 20 30 FEEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCCN(CCO)CC1 ZINC000281084178 551061615 /nfs/dbraw/zinc/06/16/15/551061615.db2.gz CDWHYQQYWZULOU-UHFFFAOYSA-N 0 3 350.344 2.028 20 30 FEEDHN C[C@H]1OCC[C@@]12CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000281349251 551087146 /nfs/dbraw/zinc/08/71/46/551087146.db2.gz XOXLLFUIOUYWHQ-DZJHOTPTSA-N 0 3 353.422 2.035 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282039250 551172630 /nfs/dbraw/zinc/17/26/30/551172630.db2.gz UOCGLDIQMDTRPZ-UHFFFAOYSA-N 0 3 369.513 2.282 20 30 FEEDHN C=CCn1c(-c2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000282192336 551193152 /nfs/dbraw/zinc/19/31/52/551193152.db2.gz GHCNEMLMQIGSQH-MRXNPFEDSA-N 0 3 371.460 2.429 20 30 FEEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCNC1=O ZINC000282278592 551205343 /nfs/dbraw/zinc/20/53/43/551205343.db2.gz IBRUPAMQDLUFGP-AWEZNQCLSA-N 0 3 360.483 2.038 20 30 FEEDHN CC(C)N1CCN(CCCN2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000282624232 551253161 /nfs/dbraw/zinc/25/31/61/551253161.db2.gz JFPHBRUIAMKWJG-UHFFFAOYSA-N 0 3 369.557 2.092 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)Cc2ccccc2C)CC1 ZINC000284862093 551652888 /nfs/dbraw/zinc/65/28/88/551652888.db2.gz DERAEZNKTFCMGR-KRWDZBQOSA-N 0 3 357.498 2.199 20 30 FEEDHN O=C1CC2(CCCCC2)CC(=O)C1=CNNc1ccc(-n2ccnc2)nn1 ZINC000285010141 551689218 /nfs/dbraw/zinc/68/92/18/551689218.db2.gz HJPVYTIJXODQAU-UHFFFAOYSA-N 0 3 366.425 2.345 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(OCC)c2)CC1 ZINC000285640774 551787768 /nfs/dbraw/zinc/78/77/68/551787768.db2.gz VHUDGEDBYUOKON-INIZCTEOSA-N 0 3 373.497 2.419 20 30 FEEDHN N#CC(=C([O-])c1ccc2c(c1)NC(=O)CNC2=O)c1nccc2ccccc21 ZINC000498971698 561539742 /nfs/dbraw/zinc/53/97/42/561539742.db2.gz BEBDPJDZSIZIHB-MRXNPFEDSA-N 0 3 370.368 2.407 20 30 FEEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CNC2=O)c1nccc2ccccc21 ZINC000498971698 561539743 /nfs/dbraw/zinc/53/97/43/561539743.db2.gz BEBDPJDZSIZIHB-MRXNPFEDSA-N 0 3 370.368 2.407 20 30 FEEDHN N#Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1F ZINC000285875877 551822223 /nfs/dbraw/zinc/82/22/23/551822223.db2.gz WFOPZXWGQNGXSQ-AZUAARDMSA-N 0 3 367.424 2.310 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285926038 551828013 /nfs/dbraw/zinc/82/80/13/551828013.db2.gz TXYFMJFHGBDDFA-BBRMVZONSA-N 0 3 356.470 2.294 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cnn(CC(C)C)c2C2CC2)CC1 ZINC000499080466 561542698 /nfs/dbraw/zinc/54/26/98/561542698.db2.gz YACAECXCGFPBLN-UHFFFAOYSA-N 0 3 373.501 2.122 20 30 FEEDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCCCC#N)CCN1Cc1ccccc1 ZINC000286363170 551878740 /nfs/dbraw/zinc/87/87/40/551878740.db2.gz CNGDKHZVZXXILS-MJGOQNOKSA-N 0 3 370.497 2.308 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCC(C)(C)c2cccs2)CC1 ZINC000286397190 551883304 /nfs/dbraw/zinc/88/33/04/551883304.db2.gz DOCNJJGJKHXVHJ-UHFFFAOYSA-N 0 3 363.527 2.299 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2C)C2CC2)CC1 ZINC000286468620 551889084 /nfs/dbraw/zinc/88/90/84/551889084.db2.gz IMXDOCXSQOVCLS-LJQANCHMSA-N 0 3 355.482 2.329 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2Cc3ccccc3C[C@H]2CC)CC1 ZINC000286510763 551894525 /nfs/dbraw/zinc/89/45/25/551894525.db2.gz KXUZKQHUEHBKKM-LJQANCHMSA-N 0 3 355.482 2.117 20 30 FEEDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000286975231 551946744 /nfs/dbraw/zinc/94/67/44/551946744.db2.gz OWOXIOMLVQYLFL-MRXNPFEDSA-N 0 3 370.497 2.191 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000287492476 552011170 /nfs/dbraw/zinc/01/11/70/552011170.db2.gz VJSPRJOFKLUCGN-INIZCTEOSA-N 0 3 373.497 2.056 20 30 FEEDHN C=CCOc1ccc(CNC(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000287835907 552052858 /nfs/dbraw/zinc/05/28/58/552052858.db2.gz CJKPZZPRIUSLID-UHFFFAOYSA-N 0 3 360.502 2.030 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000287844854 552053837 /nfs/dbraw/zinc/05/38/37/552053837.db2.gz VKNFBJBIVRWOKW-IBGZPJMESA-N 0 3 360.502 2.248 20 30 FEEDHN Cc1onc(CC(=O)NC2CCN(CCc3ccccc3)CC2)c1C#N ZINC000499596507 561554376 /nfs/dbraw/zinc/55/43/76/561554376.db2.gz VQJINPKHLPYJNQ-UHFFFAOYSA-N 0 3 352.438 2.221 20 30 FEEDHN CCn1cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000288238080 552116548 /nfs/dbraw/zinc/11/65/48/552116548.db2.gz SPMYKUDUBVTOHQ-UHFFFAOYSA-N 0 3 354.458 2.048 20 30 FEEDHN C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289201739 552281812 /nfs/dbraw/zinc/28/18/12/552281812.db2.gz BLUNMMNOESJRSO-UZLBHIALSA-N 0 3 355.438 2.041 20 30 FEEDHN C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289201739 552281814 /nfs/dbraw/zinc/28/18/14/552281814.db2.gz BLUNMMNOESJRSO-UZLBHIALSA-N 0 3 355.438 2.041 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000289529646 552335875 /nfs/dbraw/zinc/33/58/75/552335875.db2.gz HPGSMOBTHRMMMT-MRXNPFEDSA-N 0 3 368.481 2.062 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](Cc2ccccc2)C2CC2)nc1 ZINC000289741789 552370782 /nfs/dbraw/zinc/37/07/82/552370782.db2.gz HBNSCNWNZWIVSN-SFHVURJKSA-N 0 3 355.463 2.338 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N1CCCC[C@@H]1C ZINC000500806199 561583125 /nfs/dbraw/zinc/58/31/25/561583125.db2.gz FNFWWENIXIFLTH-UONOGXRCSA-N 0 3 353.463 2.380 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290173018 552438073 /nfs/dbraw/zinc/43/80/73/552438073.db2.gz PAELUJNFZIBHGL-INIZCTEOSA-N 0 3 356.470 2.056 20 30 FEEDHN N#CCCn1cc(CNC[C@H]2CCCS(=O)(=O)C2)c(-c2ccccc2)n1 ZINC000290230347 552445571 /nfs/dbraw/zinc/44/55/71/552445571.db2.gz YGEUZASNWCHQEW-MRXNPFEDSA-N 0 3 372.494 2.378 20 30 FEEDHN C=C(C)Cn1c(SC[C@H](O)CN(C)C2CC2)nnc1-c1ccncc1 ZINC000290728557 552527364 /nfs/dbraw/zinc/52/73/64/552527364.db2.gz FSIQGPHTUAFKHT-MRXNPFEDSA-N 0 3 359.499 2.463 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(F)(F)[C@H](CO)C1)C(C)C ZINC000291579896 552639656 /nfs/dbraw/zinc/63/96/56/552639656.db2.gz YGECUTFIQTYNKL-JKSUJKDBSA-N 0 3 359.461 2.344 20 30 FEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292158094 552699355 /nfs/dbraw/zinc/69/93/55/552699355.db2.gz KRSDFJQUNURNBE-KXBFYZLASA-N 0 3 360.433 2.145 20 30 FEEDHN C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)N1CCCC[C@@H]1C ZINC000501533576 561599868 /nfs/dbraw/zinc/59/98/68/561599868.db2.gz RQQQPFMAUSHHBO-IRXDYDNUSA-N 0 3 370.501 2.048 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(N3CCOCC3)c2)CC1 ZINC000292959874 552774872 /nfs/dbraw/zinc/77/48/72/552774872.db2.gz GLXXEUSBEBAOFJ-UHFFFAOYSA-N 0 3 372.513 2.363 20 30 FEEDHN C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CCN(C2CCC2)C1 ZINC000293086555 552787574 /nfs/dbraw/zinc/78/75/74/552787574.db2.gz AOSPDFALLFTPCK-ZDUSSCGKSA-N 0 3 374.872 2.483 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000293330697 552812001 /nfs/dbraw/zinc/81/20/01/552812001.db2.gz JJMWIDTXCKYPKW-UHFFFAOYSA-N 0 3 357.454 2.018 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC000294017741 552875701 /nfs/dbraw/zinc/87/57/01/552875701.db2.gz QEMJEZCMWVFMRB-UHFFFAOYSA-N 0 3 370.453 2.139 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000294028216 552876528 /nfs/dbraw/zinc/87/65/28/552876528.db2.gz RFUUEIGLUQNFEN-INIZCTEOSA-N 0 3 374.460 2.141 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCC[C@H](C)C1 ZINC000294338689 552898251 /nfs/dbraw/zinc/89/82/51/552898251.db2.gz JRMVCEVEORUYQX-UONOGXRCSA-N 0 3 353.463 2.237 20 30 FEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1sccc1C#N ZINC000294618577 552921137 /nfs/dbraw/zinc/92/11/37/552921137.db2.gz FCJTZCANIJWIIM-UHFFFAOYSA-N 0 3 374.441 2.288 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccn(CCn2cccn2)n1)C(C)C ZINC000294983875 552949398 /nfs/dbraw/zinc/94/93/98/552949398.db2.gz SLBYYMYRMGQCJB-IBGZPJMESA-N 0 3 370.501 2.208 20 30 FEEDHN C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000296024968 553091390 /nfs/dbraw/zinc/09/13/90/553091390.db2.gz SERTUPXZSUQEIR-OAHLLOKOSA-N 0 3 369.473 2.032 20 30 FEEDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000296159686 553114285 /nfs/dbraw/zinc/11/42/85/553114285.db2.gz UMKGZTQMTWAKAA-MORSLUCNSA-N 0 3 367.453 2.332 20 30 FEEDHN C#Cc1ccc(CNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 ZINC000296554196 553178741 /nfs/dbraw/zinc/17/87/41/553178741.db2.gz FSKBVKBSPVWWPC-OAQYLSRUSA-N 0 3 363.461 2.234 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000296744692 553206012 /nfs/dbraw/zinc/20/60/12/553206012.db2.gz DSVLJYSHYMGYCC-UHFFFAOYSA-N 0 3 371.529 2.285 20 30 FEEDHN CN(CCCOc1cccc(C#N)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296817471 553215616 /nfs/dbraw/zinc/21/56/16/553215616.db2.gz RRVYQBYIBCILKY-INIZCTEOSA-N 0 3 363.458 2.145 20 30 FEEDHN CC(C)(C)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000296840640 553218765 /nfs/dbraw/zinc/21/87/65/553218765.db2.gz XFGYUWPZCLJUCM-UHFFFAOYSA-N 0 3 353.463 2.380 20 30 FEEDHN CN1CCC(CNc2ncc(C#N)c3ccsc32)(N2CCOCC2)CC1 ZINC000601176419 553356538 /nfs/dbraw/zinc/35/65/38/553356538.db2.gz PNZMANRTHRRGJF-UHFFFAOYSA-N 0 3 371.510 2.376 20 30 FEEDHN CN(CCC(=O)N(C)CCC#N)C[C@@H](O)c1cccc(Br)c1 ZINC000298083318 553381712 /nfs/dbraw/zinc/38/17/12/553381712.db2.gz HQSIWXPHZSHERX-OAHLLOKOSA-N 0 3 368.275 2.176 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC000298557194 553440082 /nfs/dbraw/zinc/44/00/82/553440082.db2.gz YSDMURRLULSTFR-JKSUJKDBSA-N 0 3 364.371 2.383 20 30 FEEDHN N#Cc1ccc(N2CC[C@@H](N[C@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000298856659 553481662 /nfs/dbraw/zinc/48/16/62/553481662.db2.gz IWNDSRRGSXQPDD-QZTJIDSGSA-N 0 3 354.454 2.077 20 30 FEEDHN C[C@@H]1CN(c2ccc(C#N)c(N3C[C@@H](C)N(C)[C@@H](C)C3)n2)C[C@H](C)N1C ZINC000302890754 553740768 /nfs/dbraw/zinc/74/07/68/553740768.db2.gz PMCIAKQGSWFDNC-WNKDZCFJSA-N 0 3 356.518 2.011 20 30 FEEDHN CN1CCN(CCCCNc2cc(C#N)c(Br)cn2)CC1 ZINC000603274793 553750728 /nfs/dbraw/zinc/75/07/28/553750728.db2.gz IRHWYFVNLPNYHX-UHFFFAOYSA-N 0 3 352.280 2.155 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@]4(C3)CCCN(C)C4)cc2C1=O ZINC000505568926 561674266 /nfs/dbraw/zinc/67/42/66/561674266.db2.gz OZOGEONHXYUUHF-NRFANRHFSA-N 0 3 367.449 2.027 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000327624613 553789935 /nfs/dbraw/zinc/78/99/35/553789935.db2.gz OCLYEGPCMKHZPN-GOEBONIOSA-N 0 3 358.360 2.077 20 30 FEEDHN O=C(NC1CCN(C2CC2)CC1)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000328609306 553795736 /nfs/dbraw/zinc/79/57/36/553795736.db2.gz MQWNEHQSGARDID-SFHVURJKSA-N 0 3 362.518 2.441 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)c2cc(C#N)cn2C)[C@@H]1c1cnn(C)c1 ZINC000328630031 553798844 /nfs/dbraw/zinc/79/88/44/553798844.db2.gz PKDKUQLTBMTOQO-QFBILLFUSA-N 0 3 368.485 2.175 20 30 FEEDHN CN1CCN(CCNC(=O)CCc2ccc3c(c2)OCCO3)CC1(C)C ZINC000328697449 553808691 /nfs/dbraw/zinc/80/86/91/553808691.db2.gz HECMFKRKAZCXJB-UHFFFAOYSA-N 0 3 361.486 2.373 20 30 FEEDHN CN1CCN(CCNC(=O)CCN2c3ccccc3CCC2=O)CC1(C)C ZINC000328735716 553814639 /nfs/dbraw/zinc/81/46/39/553814639.db2.gz ZEXHQMFIMMNXSM-UHFFFAOYSA-N 0 3 372.513 2.338 20 30 FEEDHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C12CCCN1CCC2 ZINC000328796527 553823446 /nfs/dbraw/zinc/82/34/46/553823446.db2.gz UWOSXELAOXDQBI-QGZVFWFLSA-N 0 3 357.502 2.177 20 30 FEEDHN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000328855990 553833715 /nfs/dbraw/zinc/83/37/15/553833715.db2.gz XDLXTSKFETVIDC-AWEZNQCLSA-N 0 3 352.866 2.367 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000505930584 561685581 /nfs/dbraw/zinc/68/55/81/561685581.db2.gz PSSBKGAMPCNLKM-VCBZYWHSSA-N 0 3 351.491 2.485 20 30 FEEDHN C[C@@H](C(=O)Nc1nccs1)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000328975998 553856672 /nfs/dbraw/zinc/85/66/72/553856672.db2.gz WHNGOZDELLMCGY-QLFBSQMISA-N 0 3 351.520 2.077 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000329112903 553882642 /nfs/dbraw/zinc/88/26/42/553882642.db2.gz HGUTXWQUFCGFIY-AJYBTWMASA-N 0 3 367.534 2.417 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000329159833 553892360 /nfs/dbraw/zinc/89/23/60/553892360.db2.gz DLKGDPRFPSTOPD-HOTGVXAUSA-N 0 3 361.442 2.188 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000329185727 553897999 /nfs/dbraw/zinc/89/79/99/553897999.db2.gz ORZRYXCPKHQBSU-OWSLCNJRSA-N 0 3 353.507 2.289 20 30 FEEDHN CN(C)[C@@]1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CCSC1 ZINC000329233325 553907740 /nfs/dbraw/zinc/90/77/40/553907740.db2.gz LWJMBCBBXSSHNP-SUYBPPKGSA-N 0 3 356.536 2.461 20 30 FEEDHN CN1C[C@H](NC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CCC1=O ZINC000329245329 553909724 /nfs/dbraw/zinc/90/97/24/553909724.db2.gz VCRNCVIBBQKPKN-WIYYLYMNSA-N 0 3 370.497 2.119 20 30 FEEDHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329271734 553914936 /nfs/dbraw/zinc/91/49/36/553914936.db2.gz JKUJEGLDTCGWMO-VAMGGRTRSA-N 0 3 373.497 2.445 20 30 FEEDHN C[C@H](NC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC000329280832 553916472 /nfs/dbraw/zinc/91/64/72/553916472.db2.gz DUFHNDMOGAGOPZ-MMQDRESBSA-N 0 3 355.548 2.395 20 30 FEEDHN CN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H]1CN2CCC1CC2 ZINC000329288173 553918376 /nfs/dbraw/zinc/91/83/76/553918376.db2.gz MPRMYMIACUEYKP-QFBILLFUSA-N 0 3 356.445 2.076 20 30 FEEDHN C[C@@H]1C(=O)Nc2cc(C(=O)N[C@H](CO)CN3CCCCC3)ccc2N1C ZINC000329447826 553948397 /nfs/dbraw/zinc/94/83/97/553948397.db2.gz LKVIYYVQAZVDAT-HIFRSBDPSA-N 0 3 360.458 2.264 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)[C@@H]2C1 ZINC000329459247 553950711 /nfs/dbraw/zinc/95/07/11/553950711.db2.gz ROXSFRLKIWOYTL-RHSMWYFYSA-N 0 3 368.437 2.199 20 30 FEEDHN COCCn1cc2c(n1)[C@H](NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)CCC2 ZINC000329582623 553971913 /nfs/dbraw/zinc/97/19/13/553971913.db2.gz QILXMJWILSJRPM-DJIMGWMZSA-N 0 3 363.506 2.093 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(C)[C@H]2CN3CCC2CC3)C1 ZINC000329593712 553973747 /nfs/dbraw/zinc/97/37/47/553973747.db2.gz USXXOHLVQUAPJE-AEFFLSMTSA-N 0 3 364.534 2.211 20 30 FEEDHN CS[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1N1CCCC1 ZINC000329617173 553977291 /nfs/dbraw/zinc/97/72/91/553977291.db2.gz QBISQLOKYYXHKF-DLBZAZTESA-N 0 3 364.559 2.183 20 30 FEEDHN C[C@H](NC(=O)NC[C@@H]1CCCCS1(=O)=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000329693100 553990198 /nfs/dbraw/zinc/99/01/98/553990198.db2.gz AVSOWRKBDLAFJP-UXLLHSPISA-N 0 3 371.547 2.110 20 30 FEEDHN C[C@@H](NC(=O)NCCc1csc(N2CCCC2)n1)C1=CCN(C)CC1 ZINC000329718508 553994827 /nfs/dbraw/zinc/99/48/27/553994827.db2.gz YWRAJAUJUHBAPA-CQSZACIVSA-N 0 3 363.531 2.440 20 30 FEEDHN O=C(NC[C@@H]1CCCN1CC1CCCCC1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329786074 554005236 /nfs/dbraw/zinc/00/52/36/554005236.db2.gz QKAAGZGWMJRDRA-IRXDYDNUSA-N 0 3 371.547 2.112 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329801403 554008496 /nfs/dbraw/zinc/00/84/96/554008496.db2.gz YSLFZGMENVZEAH-WBVHZDCISA-N 0 3 364.534 2.496 20 30 FEEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000330146948 554073683 /nfs/dbraw/zinc/07/36/83/554073683.db2.gz TUPORCMLFGFGOO-STQMWFEESA-N 0 3 357.414 2.432 20 30 FEEDHN C[C@H](NC(=O)Nc1ccn(C2CCN(C)CC2)n1)[C@@H]1COc2ccccc21 ZINC000330192248 554082032 /nfs/dbraw/zinc/08/20/32/554082032.db2.gz NPPJGDJGJWLGOG-YOEHRIQHSA-N 0 3 369.469 3.040 20 30 FEEDHN Cc1ncc(S(=O)(=O)N2CCC[C@@H](N3[C@H](C)CC[C@@H]3C)C2)cc1C#N ZINC000330200764 554083456 /nfs/dbraw/zinc/08/34/56/554083456.db2.gz WXEZIQAILMRYCS-JKIFEVAISA-N 0 3 362.499 2.288 20 30 FEEDHN CC(C)[C@@H]1C[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CCO1 ZINC000330228385 554089192 /nfs/dbraw/zinc/08/91/92/554089192.db2.gz PQBAPOUSGJWXQS-NUJGCVRESA-N 0 3 353.507 2.289 20 30 FEEDHN CN1CCC2(CC1)C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1O2 ZINC000330260057 554094825 /nfs/dbraw/zinc/09/48/25/554094825.db2.gz NXFRINHQCCYGBV-OAHLLOKOSA-N 0 3 366.425 2.094 20 30 FEEDHN Cc1cc(CNC(=O)N2CCCC23CCN(C)CC3)nc(N2CCCC2)n1 ZINC000330267133 554096510 /nfs/dbraw/zinc/09/65/10/554096510.db2.gz QILISTRPRBNIIE-UHFFFAOYSA-N 0 3 372.517 2.359 20 30 FEEDHN CCc1nc(C)c(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)o1 ZINC000330273591 554097281 /nfs/dbraw/zinc/09/72/81/554097281.db2.gz ZKYKJASDUXZDEO-ZDUSSCGKSA-N 0 3 350.463 2.145 20 30 FEEDHN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NC[C@H](C)N(C)C ZINC000330487552 554127888 /nfs/dbraw/zinc/12/78/88/554127888.db2.gz GQQOTXIQSNQCQH-AWEZNQCLSA-N 0 3 364.515 2.460 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000330588413 554142116 /nfs/dbraw/zinc/14/21/16/554142116.db2.gz YUWLLHFCSIUFLW-DYVFJYSZSA-N 0 3 353.463 2.189 20 30 FEEDHN Cc1ccc(F)c(NC(=O)NC2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000330679857 554156184 /nfs/dbraw/zinc/15/61/84/554156184.db2.gz YBRUANALZMIGFM-UHFFFAOYSA-N 0 3 350.438 2.403 20 30 FEEDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000331135307 554219461 /nfs/dbraw/zinc/21/94/61/554219461.db2.gz KICBKLWYNRURCB-INIZCTEOSA-N 0 3 350.488 2.195 20 30 FEEDHN CN1CCN(CCNC(=O)Nc2ccc(C(N)=O)cc2F)CC1(C)C ZINC000331264012 554238704 /nfs/dbraw/zinc/23/87/04/554238704.db2.gz GEWGABYWKXTNRG-UHFFFAOYSA-N 0 3 351.426 2.061 20 30 FEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000508861714 561775768 /nfs/dbraw/zinc/77/57/68/561775768.db2.gz BNADXPDSGAYOLW-UHFFFAOYSA-N 0 3 365.441 2.189 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]3CN(C)C)C2)n1 ZINC000331606532 554293391 /nfs/dbraw/zinc/29/33/91/554293391.db2.gz OQTQTMJJMZSTFR-ROUUACIJSA-N 0 3 355.486 2.031 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@H]1N1CCCC1 ZINC000331611813 554294548 /nfs/dbraw/zinc/29/45/48/554294548.db2.gz WCBDACBWZRQXBZ-QGPMSJSTSA-N 0 3 359.495 2.364 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000332222222 554403799 /nfs/dbraw/zinc/40/37/99/554403799.db2.gz AULPOQYXRLCEMT-UONOGXRCSA-N 0 3 373.400 2.482 20 30 FEEDHN CS[C@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@@H]1N1CCCC1 ZINC000333074898 554568385 /nfs/dbraw/zinc/56/83/85/554568385.db2.gz DGANZCVAIZQEER-HOTGVXAUSA-N 0 3 371.572 2.302 20 30 FEEDHN Cn1c(C#N)ccc1-c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000351113964 554837508 /nfs/dbraw/zinc/83/75/08/554837508.db2.gz MVUMGLBSQHJQCB-UHFFFAOYSA-N 0 3 363.425 2.151 20 30 FEEDHN C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C1CCN(C)CC1 ZINC000360438804 554875061 /nfs/dbraw/zinc/87/50/61/554875061.db2.gz ZYIQVCQOEGRZKC-QGZVFWFLSA-N 0 3 366.509 2.482 20 30 FEEDHN CN(C1CCN(c2ccncc2)CC1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000362964019 555003455 /nfs/dbraw/zinc/00/34/55/555003455.db2.gz HFJBWFIPRNOVEC-UHFFFAOYSA-N 0 3 370.478 2.384 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CCN(C)[C@H](C)C3)C2)n1 ZINC000363170256 555044936 /nfs/dbraw/zinc/04/49/36/555044936.db2.gz FHGLPDIASIVVLW-NEWSRXKRSA-N 0 3 369.513 2.419 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N1CCCN(C2CCCC2)CC1 ZINC000363238759 555061317 /nfs/dbraw/zinc/06/13/17/555061317.db2.gz JILMCAPWLZOAMV-UHFFFAOYSA-N 0 3 357.454 2.423 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000363382743 555091016 /nfs/dbraw/zinc/09/10/16/555091016.db2.gz ZUMXHEPVDTVCCN-GOSISDBHSA-N 0 3 357.498 2.351 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@H]2C(=N)NO)c1 ZINC000363773075 555182641 /nfs/dbraw/zinc/18/26/41/555182641.db2.gz BDFSLAYTFUDTNF-KRWDZBQOSA-N 0 3 357.458 2.361 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000512320262 561900315 /nfs/dbraw/zinc/90/03/15/561900315.db2.gz BJRZAZGUOFSSBM-MRXNPFEDSA-N 0 3 372.488 2.119 20 30 FEEDHN CCN1CCN([C@@H](C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000512333990 561901043 /nfs/dbraw/zinc/90/10/43/561901043.db2.gz LUKFPJXGAAOIBY-HNNXBMFYSA-N 0 3 360.477 2.117 20 30 FEEDHN C=CCN(C(=O)NCCC(=O)NC(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364919550 555437306 /nfs/dbraw/zinc/43/73/06/555437306.db2.gz RYQFAWWTUXUOLW-IBGZPJMESA-N 0 3 372.513 2.373 20 30 FEEDHN N#Cc1ncn(CCNCc2cn(-c3ccccc3)nc2-c2ccncc2)n1 ZINC000512885720 561919184 /nfs/dbraw/zinc/91/91/84/561919184.db2.gz SVKBFQJQHQIDGX-UHFFFAOYSA-N 0 3 370.420 2.187 20 30 FEEDHN C=CCN(C(=O)[C@H]1CCCN1C(C)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000365258462 555525067 /nfs/dbraw/zinc/52/50/67/555525067.db2.gz OSSHSCVPLAQSBK-VQTJNVASSA-N 0 3 355.482 2.286 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C2CCN(Cc3cccnc3)CC2)CC1 ZINC000365527490 555599490 /nfs/dbraw/zinc/59/94/90/555599490.db2.gz XXRMCWSHLOETFX-UHFFFAOYSA-N 0 3 356.514 2.450 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@@H]3CCCN(C)C3)C2)n1 ZINC000365768518 555663409 /nfs/dbraw/zinc/66/34/09/555663409.db2.gz HAMFLEXAHIAGHJ-QZTJIDSGSA-N 0 3 355.486 2.031 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3[C@@H]4CCCC[C@@H]4C[C@H]3C(N)=O)C2=O)cc1 ZINC000366090820 555748659 /nfs/dbraw/zinc/74/86/59/555748659.db2.gz ZBGMEGCSUNKIBD-YSHGAJCASA-N 0 3 366.465 2.172 20 30 FEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000366452483 555848554 /nfs/dbraw/zinc/84/85/54/555848554.db2.gz HNTMUXUIGLCKIA-NQIIRXRSSA-N 0 3 367.449 2.427 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000366704880 555913721 /nfs/dbraw/zinc/91/37/21/555913721.db2.gz SZFUNABAOMUMMS-VHPHOLNESA-N 0 3 365.518 2.156 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000366704878 555913749 /nfs/dbraw/zinc/91/37/49/555913749.db2.gz SZFUNABAOMUMMS-NNIGNNQHSA-N 0 3 365.518 2.156 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000367464689 556057151 /nfs/dbraw/zinc/05/71/51/556057151.db2.gz IRYVZYQAYBDWAS-KBXCAEBGSA-N 0 3 364.453 2.025 20 30 FEEDHN C(#CCN1CCC([C@@H]2CCOC2)CC1)CN1CCC([C@@H]2CCOC2)CC1 ZINC000367464825 556057488 /nfs/dbraw/zinc/05/74/88/556057488.db2.gz VUVYMBITEYHDHD-FGZHOGPDSA-N 0 3 360.542 2.487 20 30 FEEDHN C(#CCN1CCC([C@@H]2CCOC2)CC1)CN1CCC([C@H]2CCOC2)CC1 ZINC000367464826 556057502 /nfs/dbraw/zinc/05/75/02/556057502.db2.gz VUVYMBITEYHDHD-SZPZYZBQSA-N 0 3 360.542 2.487 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000368729628 556399038 /nfs/dbraw/zinc/39/90/38/556399038.db2.gz QICYUVOFSCAJEY-QGZVFWFLSA-N 0 3 363.502 2.237 20 30 FEEDHN C=CCN(C(=O)N[C@@H](C)c1nncn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368924141 556449927 /nfs/dbraw/zinc/44/99/27/556449927.db2.gz HWWFTGKTLBSHQQ-FUHWJXTLSA-N 0 3 368.485 2.348 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000369080644 556499797 /nfs/dbraw/zinc/49/97/97/556499797.db2.gz HWIYZFFWIIAGOO-UHFFFAOYSA-N 0 3 357.433 2.461 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000369289642 556566141 /nfs/dbraw/zinc/56/61/41/556566141.db2.gz CCBBXVHQZFNQRF-IAGOWNOFSA-N 0 3 363.396 2.170 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000369376009 556584497 /nfs/dbraw/zinc/58/44/97/556584497.db2.gz QUJNAENCKBCVLN-MOPGFXCFSA-N 0 3 374.448 2.063 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000369406167 556593256 /nfs/dbraw/zinc/59/32/56/556593256.db2.gz IKFBZXTWVIMVHQ-OALUTQOASA-N 0 3 359.433 2.421 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2c3ccccc3CC[C@@H]2CO)cc1 ZINC000369557987 556630921 /nfs/dbraw/zinc/63/09/21/556630921.db2.gz BQGVTYXEBQNBGT-DBXWQHBBSA-N 0 3 352.434 2.184 20 30 FEEDHN C#CC[C@H](NC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)c1ccccc1 ZINC000369698153 556672133 /nfs/dbraw/zinc/67/21/33/556672133.db2.gz UNCGKQKUELUJIS-SFHVURJKSA-N 0 3 351.454 3.036 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000369757250 556686491 /nfs/dbraw/zinc/68/64/91/556686491.db2.gz KPONFHPSDVNWRN-JOCHJYFZSA-N 0 3 367.493 2.285 20 30 FEEDHN COCCN(C)CCCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369870841 556717737 /nfs/dbraw/zinc/71/77/37/556717737.db2.gz GXAPKFCJZNUJJU-RTBURBONSA-N 0 3 358.486 2.436 20 30 FEEDHN CC[C@H](CC#N)NC(=O)c1nnn(-c2cccc3c2CCN(CC)C3)c1C ZINC000370380984 556856004 /nfs/dbraw/zinc/85/60/04/556856004.db2.gz LDDXBUSHGDEYSP-MRXNPFEDSA-N 0 3 366.469 2.376 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000517335912 562085838 /nfs/dbraw/zinc/08/58/38/562085838.db2.gz ZCRHTIBUJSKSLU-FQEVSTJZSA-N 0 3 372.513 2.010 20 30 FEEDHN CC(C)CN(CCN(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000371538319 557214553 /nfs/dbraw/zinc/21/45/53/557214553.db2.gz JXQIKINLRFUFBD-UHFFFAOYSA-N 0 3 372.517 2.151 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(cn1)OCCC2 ZINC000371618150 557241288 /nfs/dbraw/zinc/24/12/88/557241288.db2.gz DOELNERLBDYPJX-UHFFFAOYSA-N 0 3 364.449 2.482 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)CC1 ZINC000517987518 562101941 /nfs/dbraw/zinc/10/19/41/562101941.db2.gz ICQNALCSDQWRPI-LJQANCHMSA-N 0 3 372.513 2.277 20 30 FEEDHN Cc1ccccc1CN1CCCN(C(=O)N=c2ccn(CCC#N)[nH]2)CC1 ZINC000371795648 557296146 /nfs/dbraw/zinc/29/61/46/557296146.db2.gz IIOPQIVGKZRWAF-UHFFFAOYSA-N 0 3 366.469 2.845 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](OCC)[C@]23CCCO3)CC1 ZINC000371937459 557333694 /nfs/dbraw/zinc/33/36/94/557333694.db2.gz LLUYELRHUQGFSM-AOIWGVFYSA-N 0 3 351.491 2.053 20 30 FEEDHN CCN1CCc2c(cccc2NC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000372038850 557363782 /nfs/dbraw/zinc/36/37/82/557363782.db2.gz XDYLKDDKEKGKRY-UHFFFAOYSA-N 0 3 362.433 2.191 20 30 FEEDHN C[C@H](C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)N1[C@H](C)CC[C@@H]1C ZINC000372218847 557412725 /nfs/dbraw/zinc/41/27/25/557412725.db2.gz QPVWZFXHPWMGEK-WUUQAYSMSA-N 0 3 366.465 2.120 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2COc3cc(OC)ccc3C2)CC1 ZINC000372450278 557473695 /nfs/dbraw/zinc/47/36/95/557473695.db2.gz SRLGKCWMXNEQDZ-KRWDZBQOSA-N 0 3 359.470 2.338 20 30 FEEDHN C=CCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372598771 557516814 /nfs/dbraw/zinc/51/68/14/557516814.db2.gz HGOMAZXDDITJJF-MOPGFXCFSA-N 0 3 370.497 2.066 20 30 FEEDHN CN(CCC#N)C(=O)CCN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372853270 557575518 /nfs/dbraw/zinc/57/55/18/557575518.db2.gz YRHYOUYVKDHZMC-OXQOHEQNSA-N 0 3 371.485 2.138 20 30 FEEDHN COc1cccc2c1C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000519702338 562140587 /nfs/dbraw/zinc/14/05/87/562140587.db2.gz YBKNEYSUPJEWDD-MRXNPFEDSA-N 0 3 356.447 2.098 20 30 FEEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCC23CCC3)CC1 ZINC000373091354 557626972 /nfs/dbraw/zinc/62/69/72/557626972.db2.gz BUNQBODHHKRPJB-INIZCTEOSA-N 0 3 358.511 2.475 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)CCN(C)C3CC3)C2)n1 ZINC000373490787 557703400 /nfs/dbraw/zinc/70/34/00/557703400.db2.gz UJBBNULYDKRKMU-KRWDZBQOSA-N 0 3 355.486 2.031 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)O[C@@]3(CCCOC3)C2)CC1 ZINC000373492470 557704066 /nfs/dbraw/zinc/70/40/66/557704066.db2.gz DQMLDUDEPKHXBX-QUCCMNQESA-N 0 3 365.518 2.397 20 30 FEEDHN CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)N1CCCC1 ZINC000373708603 557742970 /nfs/dbraw/zinc/74/29/70/557742970.db2.gz PYFDRCQKYLUVAX-OALUTQOASA-N 0 3 368.481 2.040 20 30 FEEDHN CN(C)CC1(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCC1 ZINC000373955169 557795353 /nfs/dbraw/zinc/79/53/53/557795353.db2.gz AVVXXTJCYVAKPS-UHFFFAOYSA-N 0 3 371.485 2.427 20 30 FEEDHN COC(=O)[C@]12CCC[C@H]1CN([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000374645888 557911645 /nfs/dbraw/zinc/91/16/45/557911645.db2.gz KCKWEICNXAZWBF-IYOUNJFTSA-N 0 3 359.451 2.000 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCN([C@H](C)CO)CC2)cc1 ZINC000375492830 558036977 /nfs/dbraw/zinc/03/69/77/558036977.db2.gz GNJNMBQPGQVRSL-MOPGFXCFSA-N 0 3 372.513 2.019 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000375706343 558070479 /nfs/dbraw/zinc/07/04/79/558070479.db2.gz JLQFIBABHBZNRK-OALUTQOASA-N 0 3 364.449 2.244 20 30 FEEDHN CN1CCC[C@H](N2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C1 ZINC000376173801 558136773 /nfs/dbraw/zinc/13/67/73/558136773.db2.gz PJZTVZXSXWBPKG-HNNXBMFYSA-N 0 3 358.877 2.076 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](CO)C2CCCC2)cc1 ZINC000521695791 562182434 /nfs/dbraw/zinc/18/24/34/562182434.db2.gz ZHIRKXQEKNDXAQ-LJQANCHMSA-N 0 3 359.470 2.473 20 30 FEEDHN C=C(CNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000377006632 558250853 /nfs/dbraw/zinc/25/08/53/558250853.db2.gz SFGMHRLJPNTMJW-AZUAARDMSA-N 0 3 356.514 2.367 20 30 FEEDHN C=CCOc1ccc(CNC(=O)N2CCCN(CC(C)(C)O)CC2)cc1 ZINC000377248336 558297947 /nfs/dbraw/zinc/29/79/47/558297947.db2.gz GXFOGDLIFOFUAJ-UHFFFAOYSA-N 0 3 361.486 2.240 20 30 FEEDHN C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@@H](c1ccccc1)N(C)C ZINC000377266547 558302021 /nfs/dbraw/zinc/30/20/21/558302021.db2.gz QVUCKTHXBFVBAH-IPELMVKDSA-N 0 3 355.486 2.060 20 30 FEEDHN CN(C)CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 ZINC000377312256 558312574 /nfs/dbraw/zinc/31/25/74/558312574.db2.gz VRTLFEDOURVHGB-UHFFFAOYSA-N 0 3 358.461 2.466 20 30 FEEDHN C(#CCN1CCC(n2cccn2)CC1)CN1CCC(n2cccn2)CC1 ZINC000377394835 558332222 /nfs/dbraw/zinc/33/22/22/558332222.db2.gz CEHFMCPFFZLZLG-UHFFFAOYSA-N 0 3 352.486 2.057 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](NC(=O)CC)C1)C(C)C ZINC000522802716 562203920 /nfs/dbraw/zinc/20/39/20/562203920.db2.gz DHAULMSDCPSZMW-ROUUACIJSA-N 0 3 364.534 2.385 20 30 FEEDHN CC(C#N)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000522984186 562206977 /nfs/dbraw/zinc/20/69/77/562206977.db2.gz ITPRHTHQROKAFG-MNOVXSKESA-N 0 3 365.231 2.181 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000378193791 558500309 /nfs/dbraw/zinc/50/03/09/558500309.db2.gz ZSKHKGMUMSGAIU-SFHVURJKSA-N 0 3 355.486 2.499 20 30 FEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(C)(CN2CCOCC2)CC1 ZINC000378268273 558515651 /nfs/dbraw/zinc/51/56/51/558515651.db2.gz DSLFDANKPGTBBZ-QGZVFWFLSA-N 0 3 370.497 2.320 20 30 FEEDHN C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN1C1CCN(C)CC1 ZINC000378366884 558540272 /nfs/dbraw/zinc/54/02/72/558540272.db2.gz PSPVDHJCIMCGDH-IWAYRVGRSA-N 0 3 352.482 2.198 20 30 FEEDHN Cc1cc(C2=CCN(CCC(=O)N(C)CCC#N)CC2)cc([N+](=O)[O-])c1N ZINC000378412875 558550939 /nfs/dbraw/zinc/55/09/39/558550939.db2.gz SEQHCASKTXTWJY-UHFFFAOYSA-N 0 3 371.441 2.337 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCN1C ZINC000525852780 562257397 /nfs/dbraw/zinc/25/73/97/562257397.db2.gz CJQMHLVUVFWMDQ-CCGTUFIJSA-N 0 3 371.485 2.425 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411958638 558995338 /nfs/dbraw/zinc/99/53/38/558995338.db2.gz CFHDEXWCZDLTBI-OAQYLSRUSA-N 0 3 365.433 2.075 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](CO)[C@H]2CCCOC2)c1 ZINC000411996669 559000815 /nfs/dbraw/zinc/00/08/15/559000815.db2.gz SLODUWGFYQFBDT-CMKODMSKSA-N 0 3 373.497 2.316 20 30 FEEDHN C=CCCCCCN(C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413617380 559120698 /nfs/dbraw/zinc/12/06/98/559120698.db2.gz JPHAWXPTYKQXKS-UHFFFAOYSA-N 0 3 366.550 2.171 20 30 FEEDHN C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc([O-])c(F)c2)c1C#N ZINC000527064545 562275360 /nfs/dbraw/zinc/27/53/60/562275360.db2.gz LFVYJYWGPGFQIV-UHFFFAOYSA-N 0 3 359.405 2.239 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)NCCCNCc2cccnc2)cc1 ZINC000414954714 559197025 /nfs/dbraw/zinc/19/70/25/559197025.db2.gz LXAQPGJMSQSCBF-UHFFFAOYSA-N 0 3 367.453 2.299 20 30 FEEDHN C=CCc1cc(CN2CCC[C@@H](n3cc(CN)nn3)C2)cc(OC)c1O ZINC000415129714 559207011 /nfs/dbraw/zinc/20/70/11/559207011.db2.gz PMFPVFYPAVMRAI-QGZVFWFLSA-N 0 3 357.458 2.017 20 30 FEEDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415426019 559235188 /nfs/dbraw/zinc/23/51/88/559235188.db2.gz LAOGADBSXWZWII-NSHDSACASA-N 0 3 350.488 2.345 20 30 FEEDHN N#Cc1ccc(NC(=O)N[C@H]2CNCCC2(F)F)cc1Br ZINC000415685255 559261679 /nfs/dbraw/zinc/26/16/79/559261679.db2.gz BGWJHVJMGCWHOV-NSHDSACASA-N 0 3 359.174 2.439 20 30 FEEDHN COc1cc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)ccc1C#N ZINC000418193577 559393602 /nfs/dbraw/zinc/39/36/02/559393602.db2.gz BYOZVRQLBCMBJQ-ZWKOTPCHSA-N 0 3 350.422 2.203 20 30 FEEDHN C[C@@H]1CN(CCO)[C@@H](C)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000419327455 559437442 /nfs/dbraw/zinc/43/74/42/559437442.db2.gz CZZJJRGNCIKBAD-CABCVRRESA-N 0 3 356.388 2.324 20 30 FEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@H]1CCCN1CCCO ZINC000419604957 559449525 /nfs/dbraw/zinc/44/95/25/559449525.db2.gz CZJHYIPUSGZYEV-MJGOQNOKSA-N 0 3 356.470 2.082 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419632121 559450582 /nfs/dbraw/zinc/45/05/82/559450582.db2.gz FQBMRMFKPQTHOL-ICSRJNTNSA-N 0 3 370.497 2.328 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N[C@@H](CN)CC(C)C)c1ccc(F)c(F)c1 ZINC000419678996 559453583 /nfs/dbraw/zinc/45/35/83/559453583.db2.gz OXCPNLSJNAOJQP-CJNGLKHVSA-N 0 3 353.413 2.188 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)NCc2ccc(C#N)s2)CC1 ZINC000420890973 559509639 /nfs/dbraw/zinc/50/96/39/559509639.db2.gz RGLZSBYZWFBJRR-UHFFFAOYSA-N 0 3 350.488 2.308 20 30 FEEDHN CCOC(=O)c1c(NC(=O)NCCN(CC)C2CC2)c(C#N)cn1CC ZINC000421168810 559528368 /nfs/dbraw/zinc/52/83/68/559528368.db2.gz ZBHVFMYMXAESIT-UHFFFAOYSA-N 0 3 361.446 2.162 20 30 FEEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 ZINC000422296858 559576539 /nfs/dbraw/zinc/57/65/39/559576539.db2.gz PJWZBEKORJUAEH-UHFFFAOYSA-N 0 3 350.507 2.155 20 30 FEEDHN COc1cc(Br)c(CNC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424110115 559655057 /nfs/dbraw/zinc/65/50/57/559655057.db2.gz BZVVZKJXQCEZNO-LBPRGKRZSA-N 0 3 370.247 2.104 20 30 FEEDHN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)cc1 ZINC000424113893 559655266 /nfs/dbraw/zinc/65/52/66/559655266.db2.gz OXDSWPVQDMCHHS-AEFFLSMTSA-N 0 3 371.485 2.376 20 30 FEEDHN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000424131154 559655594 /nfs/dbraw/zinc/65/55/94/559655594.db2.gz VYEHZHXTCCXQFK-INIZCTEOSA-N 0 3 363.531 2.333 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000424150862 559656215 /nfs/dbraw/zinc/65/62/15/559656215.db2.gz ZRPXMFNHPBDTQQ-STQMWFEESA-N 0 3 352.385 2.004 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000425445052 559702610 /nfs/dbraw/zinc/70/26/10/559702610.db2.gz NEXCVSLCNHWYRC-HKUYNNGSSA-N 0 3 361.486 2.060 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)nn1 ZINC000425496591 559705655 /nfs/dbraw/zinc/70/56/55/559705655.db2.gz AZGBJHGOBBHWHA-LJQANCHMSA-N 0 3 368.485 2.174 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3cc[nH]c(=O)c3c2)CC1 ZINC000425750317 559717674 /nfs/dbraw/zinc/71/76/74/559717674.db2.gz XXOYDZSGLFLNLU-UHFFFAOYSA-N 0 3 368.437 2.036 20 30 FEEDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1cccnc1C#N ZINC000428366056 559774059 /nfs/dbraw/zinc/77/40/59/559774059.db2.gz FBMPOXULSUGMHA-UHFFFAOYSA-N 0 3 350.488 2.228 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000428591680 559779224 /nfs/dbraw/zinc/77/92/24/559779224.db2.gz RMRYWNFPIXNQKH-ICSRJNTNSA-N 0 3 361.461 2.241 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(CCC(=O)NCC3CCCCC3)C2)nc1 ZINC000428782494 559783037 /nfs/dbraw/zinc/78/30/37/559783037.db2.gz GVLXMOGPQZXUIC-SFHVURJKSA-N 0 3 356.470 2.493 20 30 FEEDHN COC(=O)c1cccc(OCCN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428783317 559783127 /nfs/dbraw/zinc/78/31/27/559783127.db2.gz MYVLWPYUBLJEIU-SFHVURJKSA-N 0 3 367.405 2.272 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000429724067 559804509 /nfs/dbraw/zinc/80/45/09/559804509.db2.gz WLBJGEMDFIQJBL-IBGZPJMESA-N 0 3 363.477 2.165 20 30 FEEDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433321262 559876934 /nfs/dbraw/zinc/87/69/34/559876934.db2.gz XFBAWYYBASVOOY-YTQUADARSA-N 0 3 371.481 2.149 20 30 FEEDHN COCCCNC(=O)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433345430 559877667 /nfs/dbraw/zinc/87/76/67/559877667.db2.gz YEHSLKXOVAZMFO-IBGZPJMESA-N 0 3 371.481 2.150 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433358540 559878528 /nfs/dbraw/zinc/87/85/28/559878528.db2.gz BUTBCZNDGPFUQS-ICSRJNTNSA-N 0 3 356.514 2.149 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000437499542 559965188 /nfs/dbraw/zinc/96/51/88/559965188.db2.gz VLLRQBFLXRSYIC-NQIIRXRSSA-N 0 3 357.498 2.296 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000437986900 559972536 /nfs/dbraw/zinc/97/25/36/559972536.db2.gz NTEOJTYOGDJWKO-WMZOPIPTSA-N 0 3 353.507 2.156 20 30 FEEDHN C=CCN(C(=O)NC[C@@H]1CCCN1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441326328 560028669 /nfs/dbraw/zinc/02/86/69/560028669.db2.gz FADDOBQEZXORQS-QAPCUYQASA-N 0 3 369.473 2.015 20 30 FEEDHN C[C@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000442097799 560043880 /nfs/dbraw/zinc/04/38/80/560043880.db2.gz OTWHPKPVXUQWJF-LBPRGKRZSA-N 0 3 365.405 2.466 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000448960792 560208913 /nfs/dbraw/zinc/20/89/13/560208913.db2.gz HJLWODAORDVFIX-UHFFFAOYSA-N 0 3 365.437 2.273 20 30 FEEDHN C[C@H](Oc1ccccn1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000449756312 560239081 /nfs/dbraw/zinc/23/90/81/560239081.db2.gz PZENREQAXVVQMW-INIZCTEOSA-N 0 3 352.438 2.311 20 30 FEEDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)n3C)CC2)C[C@H](C)O1 ZINC000450067899 560249800 /nfs/dbraw/zinc/24/98/00/560249800.db2.gz QQGPGAFDTNXSIN-HOTGVXAUSA-N 0 3 358.486 2.248 20 30 FEEDHN C=CCC1(C(=O)NCCCCN2CCN(CCO)CC2)CCCCC1 ZINC000450240711 560255183 /nfs/dbraw/zinc/25/51/83/560255183.db2.gz GXWRWWDNYIUTKI-UHFFFAOYSA-N 0 3 351.535 2.019 20 30 FEEDHN CCC(CC)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N(C)C ZINC000451432952 560306847 /nfs/dbraw/zinc/30/68/47/560306847.db2.gz QMANFJSPHDPKTF-QGZVFWFLSA-N 0 3 355.479 2.483 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529625 560312507 /nfs/dbraw/zinc/31/25/07/560312507.db2.gz NMQOQRONMDZODS-SFHVURJKSA-N 0 3 372.488 2.464 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000451595186 560316595 /nfs/dbraw/zinc/31/65/95/560316595.db2.gz COZWMKMNGUSIGI-KURKYZTESA-N 0 3 360.454 2.300 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000451604546 560317036 /nfs/dbraw/zinc/31/70/36/560317036.db2.gz HKFMLJMETWHZHB-OLMNPRSZSA-N 0 3 359.470 2.429 20 30 FEEDHN CN(C)CC1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 ZINC000451635795 560318435 /nfs/dbraw/zinc/31/84/35/560318435.db2.gz RSFRMVZRCMRPEC-CQSZACIVSA-N 0 3 374.872 2.165 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000451796258 560329077 /nfs/dbraw/zinc/32/90/77/560329077.db2.gz KTSWLDCYQYRGKH-UHFFFAOYSA-N 0 3 364.515 2.111 20 30 FEEDHN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453450828 560386992 /nfs/dbraw/zinc/38/69/92/560386992.db2.gz IEZSCVWHZRGYJI-IAGOWNOFSA-N 0 3 365.522 2.499 20 30 FEEDHN C[C@@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)CN1CCN(C)CC1 ZINC000455656885 560490745 /nfs/dbraw/zinc/49/07/45/560490745.db2.gz CDQHFJXSAZXQHD-KRWDZBQOSA-N 0 3 356.514 2.127 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1 ZINC000457297981 560561003 /nfs/dbraw/zinc/56/10/03/560561003.db2.gz YSOVDRIWNRFDET-UZLBHIALSA-N 0 3 374.444 2.104 20 30 FEEDHN C=CCC[C@H](CO)NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000457447156 560567397 /nfs/dbraw/zinc/56/73/97/560567397.db2.gz XZDPRGUODROLSW-MJGOQNOKSA-N 0 3 361.486 2.458 20 30 FEEDHN CC(C)(CC#N)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000457714177 560583481 /nfs/dbraw/zinc/58/34/81/560583481.db2.gz KWWSTEUVTSPMGJ-UHFFFAOYSA-N 0 3 371.529 2.433 20 30 FEEDHN CN(C)CC(C)(C)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000458601856 560635254 /nfs/dbraw/zinc/63/52/54/560635254.db2.gz LYIZKMVKCDCQAI-UHFFFAOYSA-N 0 3 359.474 2.283 20 30 FEEDHN C=CC[C@H](CO)CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458878924 560653604 /nfs/dbraw/zinc/65/36/04/560653604.db2.gz BULUXJIBPGSLNL-YOEHRIQHSA-N 0 3 351.516 2.495 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000459026860 560662385 /nfs/dbraw/zinc/66/23/85/560662385.db2.gz MOYJMPPKAGMPLW-OTWHNJEPSA-N 0 3 358.486 2.421 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(CC)CC1 ZINC000460553991 560746132 /nfs/dbraw/zinc/74/61/32/560746132.db2.gz ILXYNPRHBRVNGM-INIZCTEOSA-N 0 3 351.495 2.110 20 30 FEEDHN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460960198 560757141 /nfs/dbraw/zinc/75/71/41/560757141.db2.gz QTCQFMMFJFNTTA-GOSISDBHSA-N 0 3 369.517 2.389 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000461962756 560789830 /nfs/dbraw/zinc/78/98/30/560789830.db2.gz GZCVCUOPCKTHSC-FXAWDEMLSA-N 0 3 369.513 2.316 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000462139730 560798872 /nfs/dbraw/zinc/79/88/72/560798872.db2.gz ZCJVCXZOAJLKEF-JKSUJKDBSA-N 0 3 356.470 2.451 20 30 FEEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000470547076 560984356 /nfs/dbraw/zinc/98/43/56/560984356.db2.gz BUICTPZZFYNJRO-FZKQIMNGSA-N 0 3 372.446 2.464 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000470796840 560989744 /nfs/dbraw/zinc/98/97/44/560989744.db2.gz XNENMWRPZGTGKB-SUMWQHHRSA-N 0 3 374.400 2.449 20 30 FEEDHN COC(=O)c1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)oc1C ZINC000470796050 560989813 /nfs/dbraw/zinc/98/98/13/560989813.db2.gz ZSKRDVMEDMDIBA-OAHLLOKOSA-N 0 3 351.362 2.245 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccc(Cl)cn2)cc1 ZINC000471058287 560997072 /nfs/dbraw/zinc/99/70/72/560997072.db2.gz YKMUTGAQYIHPQR-HNNXBMFYSA-N 0 3 354.797 2.484 20 30 FEEDHN CC(=O)NC1CCC(N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471103956 560998268 /nfs/dbraw/zinc/99/82/68/560998268.db2.gz LUPDGNPWDYQRKD-VIQWUECVSA-N 0 3 352.438 2.146 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(C)CC[C@H]3C)C2)n1 ZINC000471953476 561015011 /nfs/dbraw/zinc/01/50/11/561015011.db2.gz QLEADHPNSNRUTK-SJLPKXTDSA-N 0 3 355.486 2.031 20 30 FEEDHN C=CC[C@H](CO)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472461524 561027007 /nfs/dbraw/zinc/02/70/07/561027007.db2.gz IFUARXUEMMUTSJ-GRTSSRMGSA-N 0 3 363.424 2.276 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000528479156 562331443 /nfs/dbraw/zinc/33/14/43/562331443.db2.gz VQBPOWASPYEBLW-OTWHNJEPSA-N 0 3 364.445 2.223 20 30 FEEDHN CN1CCN(C[C@@H](O)COc2ccccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000528495048 562332327 /nfs/dbraw/zinc/33/23/27/562332327.db2.gz CGDBNWSTSCDEHQ-LEWJYISDSA-N 0 3 365.477 2.157 20 30 FEEDHN CC1(C)[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@@H]2CCCO[C@@H]21 ZINC000528518944 562333592 /nfs/dbraw/zinc/33/35/92/562333592.db2.gz KVSWGDSDUREWSR-KSZLIROESA-N 0 3 352.434 2.079 20 30 FEEDHN CC(C)OCCOC1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528522001 562333882 /nfs/dbraw/zinc/33/38/82/562333882.db2.gz UIQAMJMUWBSGKM-GOSISDBHSA-N 0 3 362.470 2.204 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000528920269 562352928 /nfs/dbraw/zinc/35/29/28/562352928.db2.gz SHBMSDRNYYIWFW-IZURVTBUSA-N 0 3 358.394 2.165 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000528920256 562352930 /nfs/dbraw/zinc/35/29/30/562352930.db2.gz SHBMSDRNYYIWFW-CXCJMXGLSA-N 0 3 358.394 2.165 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000528922660 562353143 /nfs/dbraw/zinc/35/31/43/562353143.db2.gz AGSBHSYEZZKZJR-BBAXIROVSA-N 0 3 371.437 2.095 20 30 FEEDHN CC(=O)N1CC[C@H](NC[C@H](O)COc2ccccc2C#N)c2ccccc21 ZINC000530233606 562403257 /nfs/dbraw/zinc/40/32/57/562403257.db2.gz YNHXIEGZZKXVFA-HKUYNNGSSA-N 0 3 365.433 2.385 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)CC1 ZINC000533256638 562503010 /nfs/dbraw/zinc/50/30/10/562503010.db2.gz HKXAVJYHLQOQTB-FQEVSTJZSA-N 0 3 366.509 2.217 20 30 FEEDHN C=CC1CCN([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000533423690 562508223 /nfs/dbraw/zinc/50/82/23/562508223.db2.gz SHGREOJDWRZMGQ-GOSISDBHSA-N 0 3 371.525 2.422 20 30 FEEDHN Cc1nc(C(C#N)C(=O)Nc2cc(-n3cnnn3)ccc2C)sc1C ZINC000535062604 562550031 /nfs/dbraw/zinc/55/00/31/562550031.db2.gz UTDRWGWZGDQUNV-ZDUSSCGKSA-N 0 3 353.411 2.290 20 30 FEEDHN N#Cc1cccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000536432766 562575250 /nfs/dbraw/zinc/57/52/50/562575250.db2.gz VFGFLAUAZDDEJX-LEWJYISDSA-N 0 3 363.461 2.100 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000537127565 562586140 /nfs/dbraw/zinc/58/61/40/562586140.db2.gz VSSYOZIMFUDORX-ZRGWGRIASA-N 0 3 354.458 2.361 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000602538552 567992579 /nfs/dbraw/zinc/99/25/79/567992579.db2.gz NFLAOSGMYMRJGB-IAGOWNOFSA-N 0 3 364.877 2.073 20 30 FEEDHN Cc1nn(-c2ccncc2)cc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000568520835 568045920 /nfs/dbraw/zinc/04/59/20/568045920.db2.gz AQLZQHSNFQOXOS-LJQANCHMSA-N 0 3 360.421 2.496 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)C[C@@H](C)N1CC#N ZINC000603087990 568059367 /nfs/dbraw/zinc/05/93/67/568059367.db2.gz CFNDHGFIIFTBOA-KBUPBQIOSA-N 0 3 374.451 2.340 20 30 FEEDHN C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1cc(CCC#N)nn1 ZINC000603190677 568072045 /nfs/dbraw/zinc/07/20/45/568072045.db2.gz DAAMQFJQKOGPNQ-MRXNPFEDSA-N 0 3 366.469 2.076 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCc1cccc(COCc2ccco2)c1 ZINC000603632806 568128230 /nfs/dbraw/zinc/12/82/30/568128230.db2.gz DAKGIMUPYCGLGD-OAHLLOKOSA-N 0 3 371.437 2.486 20 30 FEEDHN C=CC(C)(C)CCNC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000636853214 568141141 /nfs/dbraw/zinc/14/11/41/568141141.db2.gz NXHKZYYIUULIRQ-MRXNPFEDSA-N 0 3 372.513 2.442 20 30 FEEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@]3(C#N)CCSC3)cc2)CC1 ZINC000604536788 568308959 /nfs/dbraw/zinc/30/89/59/568308959.db2.gz AILLPBXDFGARBK-IBGZPJMESA-N 0 3 358.511 2.346 20 30 FEEDHN CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(CC(=O)[O-])CC2)ccc1OC ZINC000833636441 605227204 /nfs/dbraw/zinc/22/72/04/605227204.db2.gz ROZUBFGLSZKETL-INIZCTEOSA-N 0 3 361.442 2.015 20 30 FEEDHN C#C[C@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000811914190 674638978 /nfs/dbraw/zinc/63/89/78/674638978.db2.gz DEBJLVBVEPMOJU-KRWDZBQOSA-N 0 3 362.905 2.340 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@@H](C)CN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811890653 674636179 /nfs/dbraw/zinc/63/61/79/674636179.db2.gz XFJFLBXKHGAHOJ-QAPCUYQASA-N 0 3 362.905 2.197 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000815082281 674913899 /nfs/dbraw/zinc/91/38/99/674913899.db2.gz IYAWENHPHGBXFP-UHFFFAOYSA-N 0 3 357.888 2.183 20 30 FEEDHN CCC1(CC)[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@H](C)[C@@H]1OC ZINC000564146263 674977801 /nfs/dbraw/zinc/97/78/01/674977801.db2.gz BRRIOMFUIHDPOW-XKQJLSEDSA-N 0 3 365.499 2.156 20 30 FEEDHN CNC(=O)C(C#N)C(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC000815911957 674984216 /nfs/dbraw/zinc/98/42/16/674984216.db2.gz ULCMDEZSJYOXQH-ZDUSSCGKSA-N 0 3 360.801 2.152 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000077647472 670570758 /nfs/dbraw/zinc/57/07/58/670570758.db2.gz KPZMFLKXUVWXQP-HNNXBMFYSA-N 0 3 355.265 2.488 20 30 FEEDHN CN(C)[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000571073762 670811908 /nfs/dbraw/zinc/81/19/08/670811908.db2.gz AYGWFMGADBQQOR-IBGZPJMESA-N 0 3 363.527 2.432 20 30 FEEDHN CCC(CC)[C@H]1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CCO1 ZINC000577099574 671416708 /nfs/dbraw/zinc/41/67/08/671416708.db2.gz DPRBJSSOISJIFW-IAGOWNOFSA-N 0 3 365.499 2.300 20 30 FEEDHN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000579907633 671769022 /nfs/dbraw/zinc/76/90/22/671769022.db2.gz YPWBXDNQVWPMIF-AWEZNQCLSA-N 0 3 365.474 2.333 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000124233991 671993415 /nfs/dbraw/zinc/99/34/15/671993415.db2.gz ZZJYVBLALZVCSW-DOMZBBRYSA-N 0 3 352.818 2.359 20 30 FEEDHN CC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000171566851 672333502 /nfs/dbraw/zinc/33/35/02/672333502.db2.gz FXPLVRDPBYLKPS-YPMHNXCESA-N 0 3 365.792 2.385 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CCC(=O)OCC)C2)CC1 ZINC000179033553 672398380 /nfs/dbraw/zinc/39/83/80/672398380.db2.gz RJQGPAGKOYUHPI-MRXNPFEDSA-N 0 3 351.491 2.402 20 30 FEEDHN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000328209884 673062677 /nfs/dbraw/zinc/06/26/77/673062677.db2.gz WDVPHHVIBPYADJ-UHFFFAOYSA-N 0 3 365.318 2.052 20 30 FEEDHN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000328209884 673062681 /nfs/dbraw/zinc/06/26/81/673062681.db2.gz WDVPHHVIBPYADJ-UHFFFAOYSA-N 0 3 365.318 2.052 20 30 FEEDHN CCN1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000328860752 673068509 /nfs/dbraw/zinc/06/85/09/673068509.db2.gz ANFGXMMUKDWPKP-INIZCTEOSA-N 0 3 367.515 2.365 20 30 FEEDHN CN1C(=O)C[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000594443747 673072388 /nfs/dbraw/zinc/07/23/88/673072388.db2.gz TYVYSKMAVXYOSJ-YQQAZPJKSA-N 0 3 362.861 2.139 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@@H](c2ccsc2)N(CC)CC)C1=O ZINC000348494423 673115806 /nfs/dbraw/zinc/11/58/06/673115806.db2.gz DKWACMQLPQYRLE-CABCVRRESA-N 0 3 351.472 2.254 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccccc1OCC(F)(F)F ZINC000727953523 673188174 /nfs/dbraw/zinc/18/81/74/673188174.db2.gz JFIDCXRFTKXXOH-NSHDSACASA-N 0 3 356.300 2.018 20 30 FEEDHN CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(=O)N(C)C ZINC000728913531 673215191 /nfs/dbraw/zinc/21/51/91/673215191.db2.gz BEHZFAZADUZIQP-CYBMUJFWSA-N 0 3 358.467 2.273 20 30 FEEDHN COCC1(NCC(=O)N(CCC#N)c2cccc(Cl)c2)CCOCC1 ZINC000595501587 673258863 /nfs/dbraw/zinc/25/88/63/673258863.db2.gz UFSKEZIAOLLSPN-UHFFFAOYSA-N 0 3 365.861 2.372 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1 ZINC000596066392 673355586 /nfs/dbraw/zinc/35/55/86/673355586.db2.gz OCPYKXCREFUYKU-IPMKNSEASA-N 0 3 356.422 2.399 20 30 FEEDHN CCN1CCN(CCNc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000596073566 673356055 /nfs/dbraw/zinc/35/60/55/673356055.db2.gz NBGBONNVOBUFKV-UHFFFAOYSA-N 0 3 361.852 2.370 20 30 FEEDHN CCNc1ncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)s1 ZINC000599198743 673639891 /nfs/dbraw/zinc/63/98/91/673639891.db2.gz PWQWUNARVYSZOU-UHFFFAOYSA-N 0 3 357.483 2.651 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000543672710 673660365 /nfs/dbraw/zinc/66/03/65/673660365.db2.gz FUZFQHSJHAKBLD-ZDUSSCGKSA-N 0 3 353.463 2.189 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCCn1cnnc1CC ZINC000742388054 673725888 /nfs/dbraw/zinc/72/58/88/673725888.db2.gz KGTMRINFEKYXNJ-UHFFFAOYSA-N 0 3 363.259 2.405 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)cc1Cl ZINC000600062954 673737948 /nfs/dbraw/zinc/73/79/48/673737948.db2.gz KVUKEOKZRYEUFB-HNNXBMFYSA-N 0 3 360.845 2.283 20 30 FEEDHN N#CC1(C[C@H](O)C[NH2+]Cc2ccc([O-])c(Br)c2)CCOCC1 ZINC000600728698 673794853 /nfs/dbraw/zinc/79/48/53/673794853.db2.gz QFHXFLQYISXWBA-ZDUSSCGKSA-N 0 3 369.259 2.316 20 30 FEEDHN Cc1ccc(Br)cc1NC(=O)CNC[C@@H](O)CC1(C#N)CC1 ZINC000600723403 673794869 /nfs/dbraw/zinc/79/48/69/673794869.db2.gz NNVCAUGPEBCUKQ-ZDUSSCGKSA-N 0 3 366.259 2.340 20 30 FEEDHN CN1CCO[C@H]([C@H](NC[C@@H](O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000600731621 673795254 /nfs/dbraw/zinc/79/52/54/673795254.db2.gz NJKHNSGXNPPGMB-OKZBNKHCSA-N 0 3 363.889 2.356 20 30 FEEDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000601421131 673859731 /nfs/dbraw/zinc/85/97/31/673859731.db2.gz CGXNPLJSNMSAHP-MFKMUULPSA-N 0 3 361.389 2.290 20 30 FEEDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000601422768 673860049 /nfs/dbraw/zinc/86/00/49/673860049.db2.gz YNHWRLQVGRTGJK-GWCFXTLKSA-N 0 3 372.288 2.034 20 30 FEEDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000747106758 673907336 /nfs/dbraw/zinc/90/73/36/673907336.db2.gz YSJNTSRHYXEJGE-JSGCOSHPSA-N 0 3 351.447 2.257 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000818593269 675226723 /nfs/dbraw/zinc/22/67/23/675226723.db2.gz SJCAXAOOVCFBPT-GFCCVEGCSA-N 0 3 353.806 2.087 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000818593185 675226873 /nfs/dbraw/zinc/22/68/73/675226873.db2.gz OWMSSRYNDRHKHB-UHFFFAOYSA-N 0 3 369.259 2.151 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000818612426 675228598 /nfs/dbraw/zinc/22/85/98/675228598.db2.gz YYAHPSQEPNEWSU-UHFFFAOYSA-N 0 3 357.435 2.224 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000820688118 675378969 /nfs/dbraw/zinc/37/89/69/675378969.db2.gz KCCVABDVBZXQDG-HZPDHXFCSA-N 0 3 351.491 2.093 20 30 FEEDHN C=CCNC(=O)CN1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642223 675564814 /nfs/dbraw/zinc/56/48/14/675564814.db2.gz BRISKHSQBFHYBJ-HNNXBMFYSA-N 0 3 351.491 2.400 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc2n(n1)CCCO2 ZINC000763929639 680795913 /nfs/dbraw/zinc/79/59/13/680795913.db2.gz JGRUMXDRPYKYJB-SNVBAGLBSA-N 0 3 362.748 2.419 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC(F)(F)CC1)C(C)C ZINC000671082047 679309775 /nfs/dbraw/zinc/30/97/75/679309775.db2.gz ONSUHVVSQASMPX-OAHLLOKOSA-N 0 3 357.445 2.059 20 30 FEEDHN C=CCc1cc(OCC)cc(CN2CCC[C@H]2CS(=O)(=O)NC)c1O ZINC000749970041 680091880 /nfs/dbraw/zinc/09/18/80/680091880.db2.gz YHQIVFAAFQUUQP-INIZCTEOSA-N 0 3 368.499 2.033 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001022021911 680190641 /nfs/dbraw/zinc/19/06/41/680190641.db2.gz MWBZZJVEVNOLIL-RRFJBIMHSA-N 0 3 355.910 2.165 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cc3n(n2)CCC3)cc1Cl ZINC000835066212 680292684 /nfs/dbraw/zinc/29/26/84/680292684.db2.gz UYIFQDBQYLEDFF-LBPRGKRZSA-N 0 3 358.785 2.452 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000835071788 680293394 /nfs/dbraw/zinc/29/33/94/680293394.db2.gz WBJNGFIOLUDGMS-HZSPNIEDSA-N 0 3 354.328 2.261 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CNCc2snnc2C)CC1 ZINC000997782079 680365847 /nfs/dbraw/zinc/36/58/47/680365847.db2.gz PLSABJNTESGASP-CVEARBPZSA-N 0 3 364.515 2.156 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000836336985 680452959 /nfs/dbraw/zinc/45/29/59/680452959.db2.gz NTCPXFXBKPRNBQ-UHFFFAOYSA-N 0 3 351.372 2.311 20 30 FEEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001039134696 680462275 /nfs/dbraw/zinc/46/22/75/680462275.db2.gz ULVWATGCVKYQEA-XIRDDKMYSA-N 0 3 356.894 2.103 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000836488064 680475716 /nfs/dbraw/zinc/47/57/16/680475716.db2.gz FQUGTAHSUBOBDL-UHFFFAOYSA-N 0 3 351.372 2.311 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000836486799 680475801 /nfs/dbraw/zinc/47/58/01/680475801.db2.gz IVOFSNMZPPDHBE-UHFFFAOYSA-N 0 3 371.268 2.186 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000986157409 680497131 /nfs/dbraw/zinc/49/71/31/680497131.db2.gz HGHDKGGZCAOHEC-OWCLPIDISA-N 0 3 369.937 2.412 20 30 FEEDHN COC(=O)c1cncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000760197361 680679505 /nfs/dbraw/zinc/67/95/05/680679505.db2.gz JLWZZYOUPJDEKA-AWEZNQCLSA-N 0 3 357.753 2.483 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@H]1COC(=O)C1 ZINC000766256882 680872032 /nfs/dbraw/zinc/87/20/32/680872032.db2.gz FMIWPFKSQBHFGZ-MNOVXSKESA-N 0 3 364.785 2.258 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@@H]1N(C)C ZINC000841713503 680908638 /nfs/dbraw/zinc/90/86/38/680908638.db2.gz OZFKEPKVTBICIG-DLBZAZTESA-N 0 3 361.515 2.442 20 30 FEEDHN Cn1nc(C2CC2)nc1CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000842686505 680959429 /nfs/dbraw/zinc/95/94/29/680959429.db2.gz NUMKGNMBRNNCLR-LLVKDONJSA-N 0 3 357.801 2.236 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(N)nc(Br)c2)CC1 ZINC000874436446 685388098 /nfs/dbraw/zinc/38/80/98/685388098.db2.gz GXMCLRWBLOKRLG-UHFFFAOYSA-N 0 3 353.264 2.197 20 30 FEEDHN CC[C@H](C(=O)N1C[C@@H](CNc2ncc(C#N)cc2Cl)[C@H](C)C1)N(C)C ZINC001054421332 681108162 /nfs/dbraw/zinc/10/81/62/681108162.db2.gz ZFBUKOLXUDDVND-XNRPHZJLSA-N 0 3 363.893 2.453 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000846228282 681204940 /nfs/dbraw/zinc/20/49/40/681204940.db2.gz LWTCHFBFJIBDAM-AWEZNQCLSA-N 0 3 365.271 2.387 20 30 FEEDHN CCOC(=O)[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000932644630 681275468 /nfs/dbraw/zinc/27/54/68/681275468.db2.gz LETZGSGVEIQYOW-OLZOCXBDSA-N 0 3 357.435 2.358 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H](OC)c1ccccc1Br ZINC000848142877 681479488 /nfs/dbraw/zinc/47/94/88/681479488.db2.gz NOWHKOBUSOKNBU-HNNXBMFYSA-N 0 3 353.260 2.208 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN1CCN(C)CCN(C)CC1 ZINC000933998710 681495463 /nfs/dbraw/zinc/49/54/63/681495463.db2.gz OCJUMCRLRTYXJQ-UHFFFAOYSA-N 0 3 362.543 2.082 20 30 FEEDHN CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000934192824 681523049 /nfs/dbraw/zinc/52/30/49/681523049.db2.gz BYVBVXIRTCKSCJ-SJORKVTESA-N 0 3 362.495 2.086 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000848395303 681534969 /nfs/dbraw/zinc/53/49/69/681534969.db2.gz BIHVMFKVQYHPBA-GFCCVEGCSA-N 0 3 356.348 2.328 20 30 FEEDHN CC(C)NS(=O)(=O)c1ccc(N=NC2CCCN3CCCC[C@@H]23)nc1 ZINC000848404604 681535761 /nfs/dbraw/zinc/53/57/61/681535761.db2.gz MUGXETFTTKUIJJ-INIZCTEOSA-N 0 3 365.503 2.185 20 30 FEEDHN C[C@@H](N[C@H]1CCOC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000934402829 681565385 /nfs/dbraw/zinc/56/53/85/681565385.db2.gz CRCZUHQBWQPQMY-WBMJQRKESA-N 0 3 363.845 2.466 20 30 FEEDHN CN1CCC(NC(=S)NNc2cc(C#N)ccc2Br)CC1 ZINC000849288038 681679077 /nfs/dbraw/zinc/67/90/77/681679077.db2.gz CLYBBZAQQLGYEQ-UHFFFAOYSA-N 0 3 368.304 2.206 20 30 FEEDHN CCCCCCCC[C@H](C)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000850836710 681966537 /nfs/dbraw/zinc/96/65/37/681966537.db2.gz ROKGXTPLGVZFBD-JKSUJKDBSA-N 0 3 370.515 2.339 20 30 FEEDHN C[C@H](CC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000850976388 681992198 /nfs/dbraw/zinc/99/21/98/681992198.db2.gz CQPKMRBFRWSVNS-CJBNDPTMSA-N 0 3 350.365 2.495 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1ccn(C)n1 ZINC000782581230 682060156 /nfs/dbraw/zinc/06/01/56/682060156.db2.gz JICRJOIHENJQOM-GFCCVEGCSA-N 0 3 360.801 2.281 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000916871751 685528363 /nfs/dbraw/zinc/52/83/63/685528363.db2.gz XFZIZGCHPIOIRA-SWLSCSKDSA-N 0 3 350.440 2.037 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]21 ZINC000972339856 682407571 /nfs/dbraw/zinc/40/75/71/682407571.db2.gz MOEQGPUOOWTNOY-OAGGEKHMSA-N 0 3 367.921 2.165 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](O)[C@H]1CCCO1 ZINC000858226486 682946948 /nfs/dbraw/zinc/94/69/48/682946948.db2.gz OEDGDMLGOPHUNQ-GDBMZVCRSA-N 0 3 354.244 2.091 20 30 FEEDHN COc1cnccc1N1CCN(C(=S)Nc2ccccc2C#N)CC1 ZINC000795026107 683009427 /nfs/dbraw/zinc/00/94/27/683009427.db2.gz HRDNZQZLWBKZJG-UHFFFAOYSA-N 0 3 353.451 2.481 20 30 FEEDHN C#CC[C@H](CCOC)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000859024509 683028317 /nfs/dbraw/zinc/02/83/17/683028317.db2.gz GHLTZKWFQOTJLU-MRXNPFEDSA-N 0 3 353.532 2.076 20 30 FEEDHN CN1C(=O)CN(CC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)C1=O ZINC000860478893 683249087 /nfs/dbraw/zinc/24/90/87/683249087.db2.gz GRLSNSNGNOMPLJ-SECBINFHSA-N 0 3 362.798 2.020 20 30 FEEDHN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000860478692 683249204 /nfs/dbraw/zinc/24/92/04/683249204.db2.gz ZNRZAXGNRWLGTG-JSGCOSHPSA-N 0 3 351.447 2.400 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000798816902 683394471 /nfs/dbraw/zinc/39/44/71/683394471.db2.gz RIFIRTRWBVBTQO-GXFFZTMASA-N 0 3 351.200 2.227 20 30 FEEDHN C=C(Cl)C[C@H]1NC(=O)N(c2ccc(N3CCN(CC)CC3)cc2)C1=O ZINC000864550558 683866705 /nfs/dbraw/zinc/86/67/05/683866705.db2.gz LJPPVGNPTXMKKS-MRXNPFEDSA-N 0 3 362.861 2.396 20 30 FEEDHN N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000866994070 684193264 /nfs/dbraw/zinc/19/32/64/684193264.db2.gz OCFLDBIUJSZOPU-KSSFIOAISA-N 0 3 363.458 2.335 20 30 FEEDHN FC1(F)[C@@H]2CN(C[C@H]3CNCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530824 684299826 /nfs/dbraw/zinc/29/98/26/684299826.db2.gz KERCIRBABOSFPM-IWSPIJDZSA-N 0 3 368.268 2.078 20 30 FEEDHN C#CC[C@H](COC)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000875923093 686104026 /nfs/dbraw/zinc/10/40/26/686104026.db2.gz WXXSWXYOWCOYNJ-MRXNPFEDSA-N 0 3 353.413 2.076 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1nnc(SC)n1CC(C)C ZINC000876602989 686226603 /nfs/dbraw/zinc/22/66/03/686226603.db2.gz IQMYKIJFXYBYMO-LBPRGKRZSA-N 0 3 359.927 2.175 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000876606256 686227214 /nfs/dbraw/zinc/22/72/14/686227214.db2.gz ZJVUAEUOPHWVSN-CABCVRRESA-N 0 3 351.834 2.095 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000876613636 686228699 /nfs/dbraw/zinc/22/86/99/686228699.db2.gz GGGHKJOTKPRTOQ-ZENOOKHLSA-N 0 3 365.861 2.344 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000876619973 686229747 /nfs/dbraw/zinc/22/97/47/686229747.db2.gz HOOLNSRLVTZLFZ-OAHLLOKOSA-N 0 3 350.850 2.269 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000876894210 686289051 /nfs/dbraw/zinc/28/90/51/686289051.db2.gz MFWODAJAFPRGLP-OLZOCXBDSA-N 0 3 360.216 2.171 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCCS(=O)(=O)CCc1ccccc1 ZINC000877501401 686393036 /nfs/dbraw/zinc/39/30/36/686393036.db2.gz OOFDQFXFEQRZNT-KRWDZBQOSA-N 0 3 364.511 2.332 20 30 FEEDHN C#C[C@@H](NCc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000877535287 686404489 /nfs/dbraw/zinc/40/44/89/686404489.db2.gz XVYLJIHBMJBSQW-CYBMUJFWSA-N 0 3 359.289 2.234 20 30 FEEDHN C#CCN(C(=O)c1ccc(OC)c(OC(F)F)c1)C1CCN(C)CC1 ZINC000886583280 688279624 /nfs/dbraw/zinc/27/96/24/688279624.db2.gz JNXGPKAQGXTKAQ-UHFFFAOYSA-N 0 3 352.381 2.466 20 30 FEEDHN C#CCC1(NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000887124434 688369931 /nfs/dbraw/zinc/36/99/31/688369931.db2.gz DHMVKIOWAQHCMR-UHFFFAOYSA-N 0 3 351.790 2.349 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)c1ccsc1 ZINC000891875939 689121033 /nfs/dbraw/zinc/12/10/33/689121033.db2.gz DDVLXCXPCCLOLI-RDJZCZTQSA-N 0 3 350.488 2.455 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000892466054 689200346 /nfs/dbraw/zinc/20/03/46/689200346.db2.gz XDJAKMPJSMOHEC-HOTGVXAUSA-N 0 3 350.459 2.368 20 30 FEEDHN N#Cc1csc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)n1 ZINC000893003196 689279344 /nfs/dbraw/zinc/27/93/44/689279344.db2.gz YZOSQIKMTFLPKO-MRXNPFEDSA-N 0 3 355.467 2.479 20 30 FEEDHN COC(=O)[C@H]1[C@H](CNC2(c3cccc(C#N)c3)CCOCC2)C1(F)F ZINC000895277035 689688985 /nfs/dbraw/zinc/68/89/85/689688985.db2.gz BPSIHKHXFCCACT-LSDHHAIUSA-N 0 3 350.365 2.208 20 30 FEEDHN C=CCNc1ncc(C(=O)Nc2cnccc2N2CCN(C)CC2)s1 ZINC000900338860 690503782 /nfs/dbraw/zinc/50/37/82/690503782.db2.gz KLDNRCSRKLYMFL-UHFFFAOYSA-N 0 3 358.471 2.140 20 30 FEEDHN C=CCCc1ccc(S(=O)(=O)N2CCNCCC23CCOCC3)cc1 ZINC000903549433 690921923 /nfs/dbraw/zinc/92/19/23/690921923.db2.gz KFVIZARRBDCENT-UHFFFAOYSA-N 0 3 364.511 2.338 20 30 FEEDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3c(C#N)sc4ccccc43)C2)C1 ZINC000907199399 691421060 /nfs/dbraw/zinc/42/10/60/691421060.db2.gz XVVGLODKLRIYEP-QGZVFWFLSA-N 0 3 361.492 2.489 20 30 FEEDHN Cc1cc(C#N)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164865965 721076424 /nfs/dbraw/zinc/07/64/24/721076424.db2.gz QLFJPBSOLTZPTQ-WOJBJXKFSA-N 0 3 363.465 2.445 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@H]3C2)cn1 ZINC001164764870 721112299 /nfs/dbraw/zinc/11/22/99/721112299.db2.gz IGPDLYWSYDTBSU-LSDHHAIUSA-N 0 3 356.861 2.298 20 30 FEEDHN Cc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1CC#N ZINC001164880934 721155802 /nfs/dbraw/zinc/15/58/02/721155802.db2.gz XWMRUFATBLHSFS-WOJBJXKFSA-N 0 3 363.465 2.331 20 30 FEEDHN Cc1ccc(CC#N)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877638 721156550 /nfs/dbraw/zinc/15/65/50/721156550.db2.gz PKRQYJKBGIVVNL-UXHICEINSA-N 0 3 363.465 2.331 20 30 FEEDHN N#Cc1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c1 ZINC001164898161 721523537 /nfs/dbraw/zinc/52/35/37/721523537.db2.gz IDBYGMBIOWKUBR-HKUYNNGSSA-N 0 3 363.396 2.306 20 30 FEEDHN CN1CCN(CCCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000526953212 887640335 /nfs/dbraw/zinc/64/03/35/887640335.db2.gz NPKOZQFYVGHLDB-UHFFFAOYSA-N 0 3 368.441 2.454 20 30 FEEDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCOCCC#N ZINC000549938819 674074071 /nfs/dbraw/zinc/07/40/71/674074071.db2.gz MCEAEGIUTLDBHF-HNNXBMFYSA-N 0 3 351.472 2.150 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NCC(C)(C)N3CCCCC3)cc2C1=O ZINC000042159759 540054266 /nfs/dbraw/zinc/05/42/66/540054266.db2.gz BKLYJNMBYIUIHK-UHFFFAOYSA-N 0 3 369.465 2.463 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1ncc2ccccc2c1=O)C(C)C ZINC000047633758 540322016 /nfs/dbraw/zinc/32/20/16/540322016.db2.gz XENSZZDDDAFJDQ-LJQANCHMSA-N 0 3 368.481 2.211 20 30 FEEDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccc(Cl)c(C#N)n1 ZINC000534493859 540373667 /nfs/dbraw/zinc/37/36/67/540373667.db2.gz MNYUQIIMUWJOOY-INIZCTEOSA-N 0 3 371.872 2.308 20 30 FEEDHN CCc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n2ncnc2n1 ZINC000051502357 540436136 /nfs/dbraw/zinc/43/61/36/540436136.db2.gz DFKCDYKKQNVOJP-UHFFFAOYSA-N 0 3 361.453 2.271 20 30 FEEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC(C(N)=O)CC3)sc2C1 ZINC000054423911 540589980 /nfs/dbraw/zinc/58/99/80/540589980.db2.gz YGKMNJDUMDKDLJ-LBPRGKRZSA-N 0 3 374.510 2.270 20 30 FEEDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCOc1ccc(C#N)cc1 ZINC000057842860 540819184 /nfs/dbraw/zinc/81/91/84/540819184.db2.gz SAEVQENPBCVBTQ-AWEZNQCLSA-N 0 3 359.451 2.277 20 30 FEEDHN CCN(CC)C(=O)C1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000058524679 540847436 /nfs/dbraw/zinc/84/74/36/540847436.db2.gz XOKZJTZVDHWNJK-LJQANCHMSA-N 0 3 373.497 2.073 20 30 FEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000066241105 541294572 /nfs/dbraw/zinc/29/45/72/541294572.db2.gz NSUOYUZCVWAULJ-INIZCTEOSA-N 0 3 354.458 2.032 20 30 FEEDHN C[C@H](OC[C@H]1CCCO1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310018 541575198 /nfs/dbraw/zinc/57/51/98/541575198.db2.gz QXROYUIHPHGCTN-QFBILLFUSA-N 0 3 359.470 2.033 20 30 FEEDHN CCN(CC)C(=O)C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000109469845 206057008 /nfs/dbraw/zinc/05/70/08/206057008.db2.gz IMOZGBOQKLXPQZ-UHFFFAOYSA-N 0 3 356.470 2.467 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073496598 541959335 /nfs/dbraw/zinc/95/93/35/541959335.db2.gz WJVYHMUUBHYYQH-HUUCEWRRSA-N 0 3 374.510 2.429 20 30 FEEDHN COCCN(C)CCCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000073721189 541990797 /nfs/dbraw/zinc/99/07/97/541990797.db2.gz GXAPKFCJZNUJJU-RBUKOAKNSA-N 0 3 358.486 2.436 20 30 FEEDHN C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1CCCCCC1 ZINC000074563526 542098523 /nfs/dbraw/zinc/09/85/23/542098523.db2.gz WXOXQMTULZMKJV-INIZCTEOSA-N 0 3 355.486 2.303 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000076512842 542288233 /nfs/dbraw/zinc/28/82/33/542288233.db2.gz IZYNQLHCSYJTSG-UHFFFAOYSA-N 0 3 366.259 2.154 20 30 FEEDHN C=C(Cl)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000077779613 542419753 /nfs/dbraw/zinc/41/97/53/542419753.db2.gz PRWSPFXUNJYSHP-UHFFFAOYSA-N 0 3 360.241 2.088 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000080446215 542590289 /nfs/dbraw/zinc/59/02/89/542590289.db2.gz JZJHPBDLKOTWSS-GOSISDBHSA-N 0 3 369.513 2.139 20 30 FEEDHN C[C@H]1CN(CCC2CCN(C(=O)c3cc(C#N)cn3C)CC2)C[C@H](C)O1 ZINC000081808716 542678156 /nfs/dbraw/zinc/67/81/56/542678156.db2.gz DKYCGZRJWPYVQP-HOTGVXAUSA-N 0 3 358.486 2.248 20 30 FEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(c2nc[nH]n2)CC1 ZINC000083446216 542698291 /nfs/dbraw/zinc/69/82/91/542698291.db2.gz JVSBXCACYHYXKA-HVEKOLDVSA-N 0 3 358.490 2.303 20 30 FEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000090116549 542782711 /nfs/dbraw/zinc/78/27/11/542782711.db2.gz KCPJRBZZFBWWMM-MAUKXSAKSA-N 0 3 352.438 2.278 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc2sc(C)cn2c1=O)C(C)C ZINC000092861372 542892031 /nfs/dbraw/zinc/89/20/31/542892031.db2.gz JBHMDKPLMNYFHQ-INIZCTEOSA-N 0 3 374.510 2.493 20 30 FEEDHN C=CCOc1ccc(CN2CC[C@@H](N3CCN(CC)CC3)C2)cc1OC ZINC000093133054 542910376 /nfs/dbraw/zinc/91/03/76/542910376.db2.gz BIONJQAQXLCZPE-LJQANCHMSA-N 0 3 359.514 2.472 20 30 FEEDHN COCCCOc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000102122656 543060952 /nfs/dbraw/zinc/06/09/52/543060952.db2.gz JNGUFGDPAGUGGP-OAHLLOKOSA-N 0 3 369.425 2.305 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000106036888 543186058 /nfs/dbraw/zinc/18/60/58/543186058.db2.gz UETNZWDFHGTWJE-INIZCTEOSA-N 0 3 371.481 2.205 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 ZINC000106037651 543186178 /nfs/dbraw/zinc/18/61/78/543186178.db2.gz RDOFOTFWSWGLDJ-CQSZACIVSA-N 0 3 350.488 2.004 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000106037720 543186202 /nfs/dbraw/zinc/18/62/02/543186202.db2.gz PDVFBZMQJAWPHY-UHFFFAOYSA-N 0 3 373.497 2.362 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000106258646 543220978 /nfs/dbraw/zinc/22/09/78/543220978.db2.gz LXADRYXACPGSSL-UHFFFAOYSA-N 0 3 354.458 2.107 20 30 FEEDHN Cc1nc(CON=C(N)CCN2CCN(Cc3ccccc3)CC2)oc1C ZINC000108351888 543287193 /nfs/dbraw/zinc/28/71/93/543287193.db2.gz GLYNVSQVEQAFLS-UHFFFAOYSA-N 0 3 371.485 2.288 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000108590236 543296137 /nfs/dbraw/zinc/29/61/37/543296137.db2.gz LEUOZZALGBERSD-FQEVSTJZSA-N 0 3 369.513 2.117 20 30 FEEDHN COCCN(C)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114685416 543529778 /nfs/dbraw/zinc/52/97/78/543529778.db2.gz MQMKYLNLUNIWPH-UHFFFAOYSA-N 0 3 367.449 2.445 20 30 FEEDHN N#Cc1ccc([C@@H](NCC2(N3CCSCC3)CCCC2)C(N)=O)cc1 ZINC000115596898 543576973 /nfs/dbraw/zinc/57/69/73/543576973.db2.gz FLMPCFJJZOQILM-QGZVFWFLSA-N 0 3 358.511 2.036 20 30 FEEDHN C=CCOc1cccc(CNCCNS(=O)(=O)c2cccs2)c1 ZINC000122276747 543705122 /nfs/dbraw/zinc/70/51/22/543705122.db2.gz FHUQMEZMVMJJSX-UHFFFAOYSA-N 0 3 352.481 2.381 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000122256808 543705232 /nfs/dbraw/zinc/70/52/32/543705232.db2.gz GXFGNLWNRPSWMY-CQSZACIVSA-N 0 3 353.403 2.467 20 30 FEEDHN CN(C)CCOc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000125341001 543875528 /nfs/dbraw/zinc/87/55/28/543875528.db2.gz PNEYNLCIMBBXDG-UHFFFAOYSA-N 0 3 370.384 2.215 20 30 FEEDHN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000128353804 544047535 /nfs/dbraw/zinc/04/75/35/544047535.db2.gz IBHPBAVQAQGEOU-MRXNPFEDSA-N 0 3 372.469 2.298 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(CCC(=O)OC)cs2)CC1 ZINC000129588784 544119641 /nfs/dbraw/zinc/11/96/41/544119641.db2.gz KDEBUHBLWCBHDQ-UHFFFAOYSA-N 0 3 366.487 2.411 20 30 FEEDHN COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000129877776 544130526 /nfs/dbraw/zinc/13/05/26/544130526.db2.gz CRTYDZUVYRAWFI-UHFFFAOYSA-N 0 3 353.422 2.476 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](CCC(=O)OC)Cc2ccccc2)CC1 ZINC000130587458 544156934 /nfs/dbraw/zinc/15/69/34/544156934.db2.gz IEIIFYIAZKXLSC-LJQANCHMSA-N 0 3 356.466 2.012 20 30 FEEDHN C[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)CN1CCN(C)CC1 ZINC000133827338 544284586 /nfs/dbraw/zinc/28/45/86/544284586.db2.gz YJOXCLCYYXAATE-MJGOQNOKSA-N 0 3 357.502 2.214 20 30 FEEDHN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1 ZINC000135701873 544359246 /nfs/dbraw/zinc/35/92/46/544359246.db2.gz QSUYCYXXCNJPOB-UHFFFAOYSA-N 0 3 354.385 2.014 20 30 FEEDHN CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCN(C)C1 ZINC000151133108 544509038 /nfs/dbraw/zinc/50/90/38/544509038.db2.gz GULNTBRHRJGPQL-SFHVURJKSA-N 0 3 356.470 2.266 20 30 FEEDHN C=CC[C@H](C)[C@H](C)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152141633 544617757 /nfs/dbraw/zinc/61/77/57/544617757.db2.gz LANTURYNWFUUKQ-KBPBESRZSA-N 0 3 358.529 2.459 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCC[C@H]1CN1CCOCC1 ZINC000247523268 549350122 /nfs/dbraw/zinc/35/01/22/549350122.db2.gz NPQCOVYGDQVUSR-LEWJYISDSA-N 0 3 374.525 2.342 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1(O)CCOCC1 ZINC000152847763 544702007 /nfs/dbraw/zinc/70/20/07/544702007.db2.gz KFCVCDNJHOXSKY-UHFFFAOYSA-N 0 3 366.531 2.126 20 30 FEEDHN CCc1ccc(NC(=O)[C@H](C)N(C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000153341436 544763288 /nfs/dbraw/zinc/76/32/88/544763288.db2.gz BGWZAXUIKGGWCO-ZDUSSCGKSA-N 0 3 354.458 2.318 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)CC1 ZINC000153777390 544821805 /nfs/dbraw/zinc/82/18/05/544821805.db2.gz HAVCYVAWWVJJND-UHFFFAOYSA-N 0 3 368.437 2.437 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)N1CCC[C@H](C)C1 ZINC000154511978 544916074 /nfs/dbraw/zinc/91/60/74/544916074.db2.gz UCHXRLDOWJZISS-STQMWFEESA-N 0 3 362.861 2.387 20 30 FEEDHN CCCN1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000155054774 544982115 /nfs/dbraw/zinc/98/21/15/544982115.db2.gz ZFILWMHLZVTBPO-UHFFFAOYSA-N 0 3 356.470 2.371 20 30 FEEDHN CN1CCN(Cc2ccc(CNc3nccc(C#N)c3Cl)cc2)CC1 ZINC000553279779 674249897 /nfs/dbraw/zinc/24/98/97/674249897.db2.gz GVRGMNFZXSCVCM-UHFFFAOYSA-N 0 3 355.873 2.966 20 30 FEEDHN C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCC(C)CC1 ZINC000184588989 327874431 /nfs/dbraw/zinc/87/44/31/327874431.db2.gz BDFFCVLXILBYEY-OAHLLOKOSA-N 0 3 367.457 2.381 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)c3cccc(F)c3C#N)cc2)CC1 ZINC000188274462 328077311 /nfs/dbraw/zinc/07/73/11/328077311.db2.gz HIYWCWULZOIMBW-UHFFFAOYSA-N 0 3 366.440 2.375 20 30 FEEDHN Cn1cc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1C#N ZINC000190869815 328237408 /nfs/dbraw/zinc/23/74/08/328237408.db2.gz JSTMUWPVQURIQG-HNNXBMFYSA-N 0 3 353.344 2.445 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192568209 328326063 /nfs/dbraw/zinc/32/60/63/328326063.db2.gz ZESGAWJNUDJMAP-AWEZNQCLSA-N 0 3 359.474 2.044 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000101788657 325481038 /nfs/dbraw/zinc/48/10/38/325481038.db2.gz REBQQIDBEJGEMY-KRWDZBQOSA-N 0 3 355.486 2.264 20 30 FEEDHN N#Cc1cccc(OCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866366 326110152 /nfs/dbraw/zinc/11/01/52/326110152.db2.gz GHCPNANDIWYMSY-OAHLLOKOSA-N 0 3 353.382 2.427 20 30 FEEDHN CN(C)CCOc1ccccc1CNC(=O)NCc1cccc(C#N)c1 ZINC000120421845 326257228 /nfs/dbraw/zinc/25/72/28/326257228.db2.gz VNVMYOQZGDOTFM-UHFFFAOYSA-N 0 3 352.438 2.498 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000125960750 326480611 /nfs/dbraw/zinc/48/06/11/326480611.db2.gz NKJVZNZXDFBUNN-UHFFFAOYSA-N 0 3 351.397 2.456 20 30 FEEDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136606709 326653747 /nfs/dbraw/zinc/65/37/47/326653747.db2.gz NXQOCCSPIRZNGR-UHFFFAOYSA-N 0 3 374.441 2.288 20 30 FEEDHN C[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)CN1CCN(C)CC1 ZINC000171149492 327120983 /nfs/dbraw/zinc/12/09/83/327120983.db2.gz ABDUNMIVPQEYPJ-OAHLLOKOSA-N 0 3 360.506 2.120 20 30 FEEDHN CN(C)CCN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000171301860 327130557 /nfs/dbraw/zinc/13/05/57/327130557.db2.gz ZRYOINWYTGDATQ-UHFFFAOYSA-N 0 3 369.513 2.258 20 30 FEEDHN CN1CCC[C@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000171768084 327160189 /nfs/dbraw/zinc/16/01/89/327160189.db2.gz HDHQCJXPGGEOED-QGZVFWFLSA-N 0 3 355.486 2.122 20 30 FEEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000174039570 327303160 /nfs/dbraw/zinc/30/31/60/327303160.db2.gz BTNXZVQCORBSFC-QGZVFWFLSA-N 0 3 370.478 2.096 20 30 FEEDHN N#Cc1ccc2ncc(CNCCCN3C(=O)COc4ccccc43)n2c1 ZINC000174521052 327332246 /nfs/dbraw/zinc/33/22/46/327332246.db2.gz HZCCZXBSBQSFLK-UHFFFAOYSA-N 0 3 361.405 2.111 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000178521046 327590269 /nfs/dbraw/zinc/59/02/69/327590269.db2.gz GYEDUTAQTYOCSB-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264599686 329039392 /nfs/dbraw/zinc/03/93/92/329039392.db2.gz XMIUNJYQWDYODU-MRXNPFEDSA-N 0 3 356.470 2.295 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN2CCC(N3CCCCC3)CC2)cc1 ZINC000267058323 329287400 /nfs/dbraw/zinc/28/74/00/329287400.db2.gz IEHBSIKATJYDHY-UHFFFAOYSA-N 0 3 361.511 2.282 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000267953710 329371388 /nfs/dbraw/zinc/37/13/88/329371388.db2.gz SBBRBHBDEQYZIP-APWZRJJASA-N 0 3 367.497 2.011 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000268171935 329393337 /nfs/dbraw/zinc/39/33/37/329393337.db2.gz QVHVISKJYGQHCX-BEFAXECRSA-N 0 3 356.470 2.199 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000268171942 329393341 /nfs/dbraw/zinc/39/33/41/329393341.db2.gz QVHVISKJYGQHCX-KXBFYZLASA-N 0 3 356.470 2.199 20 30 FEEDHN CCc1nnc(NCCCN2CCC(C(=O)OC)CC2)c(C#N)c1CC ZINC000268198070 329395805 /nfs/dbraw/zinc/39/58/05/329395805.db2.gz YGWVTBSNXWHQMG-UHFFFAOYSA-N 0 3 359.474 2.160 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)Nc2cnn(C)c2)[C@@H]1c1cnn(C)c1 ZINC000328628769 521613778 /nfs/dbraw/zinc/61/37/78/521613778.db2.gz OBXASFPZUSREBZ-WMLDXEAASA-N 0 3 359.478 2.104 20 30 FEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000555759285 674375290 /nfs/dbraw/zinc/37/52/90/674375290.db2.gz INJCKTSITKDGJA-ROUUACIJSA-N 0 3 363.845 2.060 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(Cn2ccnn2)CC1 ZINC000155756022 545566406 /nfs/dbraw/zinc/56/64/06/545566406.db2.gz ZHJRGVQCMHKHDP-LJQANCHMSA-N 0 3 356.470 2.159 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160676407 546063060 /nfs/dbraw/zinc/06/30/60/546063060.db2.gz HZTUFZJQPYFIEI-RBUKOAKNSA-N 0 3 358.486 2.423 20 30 FEEDHN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=N)Nc2ccccn2)cc1 ZINC000170910327 546181623 /nfs/dbraw/zinc/18/16/23/546181623.db2.gz AOIYUPGCWYVJTA-UHFFFAOYSA-N 0 3 361.471 2.037 20 30 FEEDHN C=CCN1CCC(NC(=O)CSCC(=O)Nc2ccc(F)cc2)CC1 ZINC000171566191 546215254 /nfs/dbraw/zinc/21/52/54/546215254.db2.gz NZWWICRDRLLGNX-UHFFFAOYSA-N 0 3 365.474 2.264 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCN([C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000171586115 546215347 /nfs/dbraw/zinc/21/53/47/546215347.db2.gz CUJMLBJACFCEJP-SFHVURJKSA-N 0 3 369.509 2.246 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC000171710525 546219453 /nfs/dbraw/zinc/21/94/53/546219453.db2.gz RCFDCWTXLKOLGT-UHFFFAOYSA-N 0 3 370.497 2.259 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000171717517 546220596 /nfs/dbraw/zinc/22/05/96/546220596.db2.gz OGMRCJAVIHVKRD-CQSZACIVSA-N 0 3 361.873 2.460 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000171716606 546220784 /nfs/dbraw/zinc/22/07/84/546220784.db2.gz FDHXRNMJUFNBQO-GOSISDBHSA-N 0 3 355.482 2.305 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn2ccsc2n1 ZINC000171726539 546221690 /nfs/dbraw/zinc/22/16/90/546221690.db2.gz NGAHPZSYYVWLDG-UHFFFAOYSA-N 0 3 367.478 2.400 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC3)cc2C)CC1 ZINC000173272826 546277175 /nfs/dbraw/zinc/27/71/75/546277175.db2.gz GYZNXBNKFDGYCM-UHFFFAOYSA-N 0 3 370.497 2.300 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)NC(=O)CCN3C)CC1 ZINC000174667169 546301641 /nfs/dbraw/zinc/30/16/41/546301641.db2.gz STRIXUJAWIZDMG-UHFFFAOYSA-N 0 3 356.470 2.235 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000174842509 546304425 /nfs/dbraw/zinc/30/44/25/546304425.db2.gz LTJSFUYFPPHKMQ-SFHVURJKSA-N 0 3 374.529 2.324 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000176024193 546391880 /nfs/dbraw/zinc/39/18/80/546391880.db2.gz ANKIYDUAXHIQRQ-INIZCTEOSA-N 0 3 360.527 2.306 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC000176154223 546414414 /nfs/dbraw/zinc/41/44/14/546414414.db2.gz KNFLESWVSFDALB-CQSZACIVSA-N 0 3 362.440 2.305 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C1CCN(CCc2ccccn2)CC1 ZINC000177257401 546580892 /nfs/dbraw/zinc/58/08/92/546580892.db2.gz JFSYGMOBIDDMTE-GOSISDBHSA-N 0 3 371.529 2.028 20 30 FEEDHN C=CCC[C@@H](NCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000180047515 547042892 /nfs/dbraw/zinc/04/28/92/547042892.db2.gz WYNIVMIAHHNMDD-ZWKOTPCHSA-N 0 3 364.511 2.319 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000180717141 547165223 /nfs/dbraw/zinc/16/52/23/547165223.db2.gz LHJCJOMHJXCCSL-KRWDZBQOSA-N 0 3 351.491 2.402 20 30 FEEDHN Cc1nccn1-c1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180872783 547198437 /nfs/dbraw/zinc/19/84/37/547198437.db2.gz BAZMQDVFBLOPPZ-BVGIJJTOSA-N 0 3 365.437 2.358 20 30 FEEDHN Cc1cccc(NC(=O)C[C@H](C)NCCNC(=O)C2N=CC=CC2=O)c1C ZINC000180871464 547199236 /nfs/dbraw/zinc/19/92/36/547199236.db2.gz KOVSIHLBHCHMRR-SXZOAGKDSA-N 0 3 370.453 2.137 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000180899380 547205642 /nfs/dbraw/zinc/20/56/42/547205642.db2.gz KUZRTGMGMOJGRY-MRXNPFEDSA-N 0 3 364.449 2.442 20 30 FEEDHN N#Cc1cc(Br)ccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000181523772 547329419 /nfs/dbraw/zinc/32/94/19/547329419.db2.gz YDIRWDYAGGCZMI-CYBMUJFWSA-N 0 3 350.260 2.479 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000181566652 547338144 /nfs/dbraw/zinc/33/81/44/547338144.db2.gz SQZZXXJOIAOUDW-HNNXBMFYSA-N 0 3 358.490 2.222 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(Br)cc1C ZINC000182095930 547436592 /nfs/dbraw/zinc/43/65/92/547436592.db2.gz WBNHRVLFEGPVEO-LLVKDONJSA-N 0 3 360.273 2.363 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000182590236 547518374 /nfs/dbraw/zinc/51/83/74/547518374.db2.gz VMNUFDGWQXCDRN-GOSISDBHSA-N 0 3 357.454 2.184 20 30 FEEDHN C=CC[C@H](CO)NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000183253049 547627845 /nfs/dbraw/zinc/62/78/45/547627845.db2.gz DSQVRLSKVMTQLQ-GOSISDBHSA-N 0 3 361.486 2.143 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183684863 547701252 /nfs/dbraw/zinc/70/12/52/547701252.db2.gz MRBHKTNZVWZWDS-UONOGXRCSA-N 0 3 355.442 2.232 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1sc(C)nc1C(F)(F)F ZINC000183709596 547705612 /nfs/dbraw/zinc/70/56/12/547705612.db2.gz AIRFWJOYVJLFPV-SSDOTTSWSA-N 0 3 356.391 2.076 20 30 FEEDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000484653597 561302442 /nfs/dbraw/zinc/30/24/42/561302442.db2.gz QHFDNLMINSRNKQ-KNXALSJPSA-N 0 3 351.834 2.322 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CCOC[C@@H]1OCC ZINC000484637707 561301827 /nfs/dbraw/zinc/30/18/27/561301827.db2.gz HLCMEAYGDVXETF-XIRDDKMYSA-N 0 3 352.500 2.435 20 30 FEEDHN C=CCSc1ccccc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000485463274 561319731 /nfs/dbraw/zinc/31/97/31/561319731.db2.gz IDEDSXONCYWTEW-UHFFFAOYSA-N 0 3 373.522 2.345 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000185610568 548009157 /nfs/dbraw/zinc/00/91/57/548009157.db2.gz UVWKMQVIOIWQGA-MRXNPFEDSA-N 0 3 363.483 2.206 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185700735 548022269 /nfs/dbraw/zinc/02/22/69/548022269.db2.gz PXIXWVBPNHPYCJ-KRWDZBQOSA-N 0 3 360.502 2.077 20 30 FEEDHN CN(C)C1(CN(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCC1 ZINC000188221094 548274553 /nfs/dbraw/zinc/27/45/53/548274553.db2.gz SSCSSUBYDIZZNL-UHFFFAOYSA-N 0 3 372.469 2.250 20 30 FEEDHN CC[C@@]1(CO)CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000189674758 548307900 /nfs/dbraw/zinc/30/79/00/548307900.db2.gz GZMATNNDDLOQIE-SFHVURJKSA-N 0 3 368.399 2.410 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192450079 548363608 /nfs/dbraw/zinc/36/36/08/548363608.db2.gz MRTBEEWMXGYPRO-WSTZPKSXSA-N 0 3 362.514 2.196 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245461575 548927086 /nfs/dbraw/zinc/92/70/86/548927086.db2.gz NDDBCTJFSKVDER-JTDSTZFVSA-N 0 3 358.461 2.407 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](Cn4cncn4)C3)C2=O)cc1 ZINC000245513397 548936777 /nfs/dbraw/zinc/93/67/77/548936777.db2.gz AHBQWPBKFBGUPB-IEBWSBKVSA-N 0 3 364.453 2.057 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000245511526 548937285 /nfs/dbraw/zinc/93/72/85/548937285.db2.gz YJZPOGQOFAEEOP-FUHWJXTLSA-N 0 3 357.454 2.048 20 30 FEEDHN CCS[C@@H]1CC[C@@H](N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245556660 548945584 /nfs/dbraw/zinc/94/55/84/548945584.db2.gz JCNMLZZZNZRZQG-KZNAEPCWSA-N 0 3 366.575 2.285 20 30 FEEDHN C[C@H](O)CN1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000245564148 548948090 /nfs/dbraw/zinc/94/80/90/548948090.db2.gz YVHASOJKSJQYLD-OLZOCXBDSA-N 0 3 352.276 2.208 20 30 FEEDHN C[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245900443 549014405 /nfs/dbraw/zinc/01/44/05/549014405.db2.gz SCAYGSURZXQGDK-QFBILLFUSA-N 0 3 358.461 2.409 20 30 FEEDHN CN(CCC#N)C(=O)CCN(CCO)Cc1cccc(Br)c1 ZINC000488199786 561385915 /nfs/dbraw/zinc/38/59/15/561385915.db2.gz NXCYVPPQXLVYGQ-UHFFFAOYSA-N 0 3 368.275 2.006 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@H]21 ZINC000246326693 549106303 /nfs/dbraw/zinc/10/63/03/549106303.db2.gz ZHNXUOFSMDFREK-IUODEOHRSA-N 0 3 353.875 2.316 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN(CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000246363463 549115316 /nfs/dbraw/zinc/11/53/16/549115316.db2.gz LBLTZYWNBLPHMY-WIYYLYMNSA-N 0 3 352.434 2.280 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCC#N)CCC(C)C)CC1=O ZINC000246450031 549135532 /nfs/dbraw/zinc/13/55/32/549135532.db2.gz OPBXGWWVUVEEHK-ZWKOTPCHSA-N 0 3 362.518 2.108 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000246459452 549137990 /nfs/dbraw/zinc/13/79/90/549137990.db2.gz FQVRITARQINFCX-SCTDSRPQSA-N 0 3 356.422 2.479 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246710032 549192980 /nfs/dbraw/zinc/19/29/80/549192980.db2.gz UJIPVKPRZAWFKN-GUYCJALGSA-N 0 3 363.458 2.335 20 30 FEEDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000247669581 549370747 /nfs/dbraw/zinc/37/07/47/549370747.db2.gz ZESOLDWJIXJDBT-BLLLJJGKSA-N 0 3 353.875 2.316 20 30 FEEDHN C[C@H](O)CN1CCN(Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000248637939 549473976 /nfs/dbraw/zinc/47/39/76/549473976.db2.gz APWLOKMAAMIHFI-STQMWFEESA-N 0 3 352.276 2.208 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489589209 561414858 /nfs/dbraw/zinc/41/48/58/561414858.db2.gz UJDACQCFHXWURA-MJBXVCDLSA-N 0 3 353.463 2.342 20 30 FEEDHN CC(C)CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489717169 561417743 /nfs/dbraw/zinc/41/77/43/561417743.db2.gz ISMFQERIWHYVPN-AWEZNQCLSA-N 0 3 353.463 2.344 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(C(=O)N(C)C)c2)CC1 ZINC000264353326 549994486 /nfs/dbraw/zinc/99/44/86/549994486.db2.gz DMPJCMLHLFPSNO-UHFFFAOYSA-N 0 3 358.486 2.228 20 30 FEEDHN C=CCOCCCC(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000266275727 550018857 /nfs/dbraw/zinc/01/88/57/550018857.db2.gz IOSSNZYOFZQADZ-UHFFFAOYSA-N 0 3 350.459 2.235 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000267248159 550029097 /nfs/dbraw/zinc/02/90/97/550029097.db2.gz ZGVZXQSWHIBBBQ-GOSISDBHSA-N 0 3 362.499 2.161 20 30 FEEDHN COC(=O)C(C)(C)CN[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000268341944 550052266 /nfs/dbraw/zinc/05/22/66/550052266.db2.gz PHSOLQAYHFFJBL-AWEZNQCLSA-N 0 3 361.442 2.119 20 30 FEEDHN CC(C)N1CCN(C2CCN(C(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000270483600 550276564 /nfs/dbraw/zinc/27/65/64/550276564.db2.gz AAUVYFRJOPYLPT-UHFFFAOYSA-N 0 3 370.497 2.220 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(CCC(N)=O)CC1)CCC2 ZINC000271240317 550356325 /nfs/dbraw/zinc/35/63/25/550356325.db2.gz OQTYMLJKLUMZST-UHFFFAOYSA-N 0 3 374.510 2.415 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000271465901 550377427 /nfs/dbraw/zinc/37/74/27/550377427.db2.gz KIJAGOCMLZPMKU-ZDUSSCGKSA-N 0 3 363.408 2.084 20 30 FEEDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1=CCN(C)CC1 ZINC000272958262 550478376 /nfs/dbraw/zinc/47/83/76/550478376.db2.gz NGWHLHRQGUPDSU-XLIONFOSSA-N 0 3 367.497 2.056 20 30 FEEDHN Cc1c(-c2cc(CON=C(N)c3ccc(CN(C)C)cc3)on2)cnn1C ZINC000274324258 550532664 /nfs/dbraw/zinc/53/26/64/550532664.db2.gz KXTNKUYPPFHKPW-UHFFFAOYSA-N 0 3 368.441 2.282 20 30 FEEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCC(=O)N(CCC#N)CCC#N ZINC000274867296 550561066 /nfs/dbraw/zinc/56/10/66/550561066.db2.gz URGVCKDFHRFNTF-FQEVSTJZSA-N 0 3 369.513 2.389 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(OC)nc2)CC1 ZINC000275323337 550571596 /nfs/dbraw/zinc/57/15/96/550571596.db2.gz CXSVYQAJVCABDQ-PKOBYXMFSA-N 0 3 374.485 2.260 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000275841485 550574842 /nfs/dbraw/zinc/57/48/42/550574842.db2.gz UUYMCDYWJNXNSR-FQEVSTJZSA-N 0 3 364.486 2.481 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000275895673 550575210 /nfs/dbraw/zinc/57/52/10/550575210.db2.gz QFNXLVFHIMNLJX-LSDHHAIUSA-N 0 3 372.469 2.105 20 30 FEEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC1(O)CCN(C)CC1 ZINC000276482527 550578657 /nfs/dbraw/zinc/57/86/57/550578657.db2.gz OPULSFTVFFBNPO-UHFFFAOYSA-N 0 3 373.497 2.050 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cccnc1C#N ZINC000277189905 550641507 /nfs/dbraw/zinc/64/15/07/550641507.db2.gz OMFYDPVRJGKJOE-WBVHZDCISA-N 0 3 370.478 2.142 20 30 FEEDHN C#CC[C@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000277837162 550719876 /nfs/dbraw/zinc/71/98/76/550719876.db2.gz XTFFFQNZNXPGNL-NRFANRHFSA-N 0 3 368.525 2.420 20 30 FEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000277854519 550721565 /nfs/dbraw/zinc/72/15/65/550721565.db2.gz YYTBXDJYVHMWSL-KRWDZBQOSA-N 0 3 361.461 2.471 20 30 FEEDHN CN1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000277941501 550731540 /nfs/dbraw/zinc/73/15/40/550731540.db2.gz KIPMIJVCGKQMBQ-UHFFFAOYSA-N 0 3 361.877 2.137 20 30 FEEDHN CC[C@@H](C)NC(=O)CCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278717696 550814590 /nfs/dbraw/zinc/81/45/90/550814590.db2.gz SPGNAMHNWJPTCE-OAHLLOKOSA-N 0 3 354.458 2.253 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)NCc2cccc(CN(C)C)c2)n1 ZINC000279277156 550872651 /nfs/dbraw/zinc/87/26/51/550872651.db2.gz SPIVXABJFKNIKA-UHFFFAOYSA-N 0 3 353.470 2.310 20 30 FEEDHN CCOC(=O)c1ncn(C2CCN(Cc3cccc(C#N)c3)CC2)c1N ZINC000279387202 550884302 /nfs/dbraw/zinc/88/43/02/550884302.db2.gz YJARYFWALAYXPG-UHFFFAOYSA-N 0 3 353.426 2.351 20 30 FEEDHN CCCC(=O)NC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279393834 550885209 /nfs/dbraw/zinc/88/52/09/550885209.db2.gz ACVNUPAQRTWNLP-OALUTQOASA-N 0 3 366.465 2.395 20 30 FEEDHN C=CCc1ccc(OCC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c(OC)c1 ZINC000495551206 561489571 /nfs/dbraw/zinc/48/95/71/561489571.db2.gz UQLJNWILUPAPIS-YJBOKZPZSA-N 0 3 364.511 2.307 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280432828 550993158 /nfs/dbraw/zinc/99/31/58/550993158.db2.gz DQOHMJOTMFCPSS-UHFFFAOYSA-N 0 3 370.497 2.114 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCSC3(CCOCC3)C2)cc1 ZINC000280437726 550994085 /nfs/dbraw/zinc/99/40/85/550994085.db2.gz YOHGUQCLSBSCCA-QGZVFWFLSA-N 0 3 355.463 2.365 20 30 FEEDHN CC1(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)OCCO1 ZINC000280443478 550994605 /nfs/dbraw/zinc/99/46/05/550994605.db2.gz QXAWMNDSVMEEEZ-KRWDZBQOSA-N 0 3 353.422 2.242 20 30 FEEDHN Cc1csc(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n1 ZINC000280753681 551028493 /nfs/dbraw/zinc/02/84/93/551028493.db2.gz IDEKGVLBHRZFFC-KRWDZBQOSA-N 0 3 365.462 2.354 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000281012755 551054874 /nfs/dbraw/zinc/05/48/74/551054874.db2.gz HKXPFKYUGIEORK-APWZRJJASA-N 0 3 353.422 2.073 20 30 FEEDHN COCCN(C)CC[C@@H](NC(=O)c1cc(C#N)ccn1)c1ccccc1 ZINC000496410675 561493842 /nfs/dbraw/zinc/49/38/42/561493842.db2.gz IWRDLIXFCMWLAR-GOSISDBHSA-N 0 3 352.438 2.393 20 30 FEEDHN N#CCCn1cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c(-c2ccccc2)n1 ZINC000281304418 551082880 /nfs/dbraw/zinc/08/28/80/551082880.db2.gz PYRBHDSAFKJKKT-MSOLQXFVSA-N 0 3 365.437 2.394 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000281900073 551155103 /nfs/dbraw/zinc/15/51/03/551155103.db2.gz UWLOELBADNTRSK-MJGOQNOKSA-N 0 3 361.486 2.407 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCCC2)c(F)c1 ZINC000282795491 551271546 /nfs/dbraw/zinc/27/15/46/551271546.db2.gz GOFYTCPYGKDDNQ-INIZCTEOSA-N 0 3 363.408 2.121 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc3c(c2)nc(C2CC2)n3C)CC1 ZINC000282935708 551287340 /nfs/dbraw/zinc/28/73/40/551287340.db2.gz PFWMCUDZSTWXOH-UHFFFAOYSA-N 0 3 350.466 2.412 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000283169680 551322818 /nfs/dbraw/zinc/32/28/18/551322818.db2.gz GBEJGQYNWVBYBM-UHFFFAOYSA-N 0 3 363.889 2.155 20 30 FEEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000283570824 551389924 /nfs/dbraw/zinc/38/99/24/551389924.db2.gz JLKMLGAFEQVVDP-MRXNPFEDSA-N 0 3 356.474 2.008 20 30 FEEDHN C[C@@H](NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1)c1ccc(C#N)cc1 ZINC000283977711 551461022 /nfs/dbraw/zinc/46/10/22/551461022.db2.gz LUZPVFOPGCFDFJ-VQIMIIECSA-N 0 3 368.481 2.212 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1cccnc1)C(C)C ZINC000284062449 551477083 /nfs/dbraw/zinc/47/70/83/551477083.db2.gz NLKUCCUFEAULST-IEBWSBKVSA-N 0 3 372.513 2.416 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000284074698 551479253 /nfs/dbraw/zinc/47/92/53/551479253.db2.gz RONMEPRZHNRGFI-MAUKXSAKSA-N 0 3 356.470 2.116 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCc2ccccc2Cl)CC1 ZINC000284229572 551506448 /nfs/dbraw/zinc/50/64/48/551506448.db2.gz YZTWFIVYNMFCDG-UHFFFAOYSA-N 0 3 363.889 2.155 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000498382116 561523875 /nfs/dbraw/zinc/52/38/75/561523875.db2.gz KJIJEUDSYUYPCW-UHFFFAOYSA-N 0 3 355.398 2.009 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)Cc2ccccc2F)CC1 ZINC000284802416 551637296 /nfs/dbraw/zinc/63/72/96/551637296.db2.gz WWEVXIPLILFKJV-HNNXBMFYSA-N 0 3 361.461 2.030 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000285277726 551730807 /nfs/dbraw/zinc/73/08/07/551730807.db2.gz ZTOOYEOVKFUYQZ-SJORKVTESA-N 0 3 361.486 2.073 20 30 FEEDHN CC(C)(C#N)CC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285729932 551802189 /nfs/dbraw/zinc/80/21/89/551802189.db2.gz IVHGKHJCVHYMDS-IBGZPJMESA-N 0 3 354.498 2.345 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000499069382 561542597 /nfs/dbraw/zinc/54/25/97/561542597.db2.gz LVLASTYHGAPMNG-DOXZYTNZSA-N 0 3 354.458 2.361 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](CC)Cc2ccccc2)CC1 ZINC000286100554 551848563 /nfs/dbraw/zinc/84/85/63/551848563.db2.gz XCZGXCGRQAOYSV-GOSISDBHSA-N 0 3 357.498 2.281 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCN1C ZINC000286321924 551874070 /nfs/dbraw/zinc/87/40/70/551874070.db2.gz QAYSBBIERAPKKM-DJIMGWMZSA-N 0 3 358.461 2.465 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCSC[C@H]2c2ccccc2)CC1 ZINC000286425109 551885031 /nfs/dbraw/zinc/88/50/31/551885031.db2.gz GCLGBDAWSDWKIK-SFHVURJKSA-N 0 3 373.522 2.070 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000286541166 551897781 /nfs/dbraw/zinc/89/77/81/551897781.db2.gz CDJHOUVCCCTIJY-DOMZBBRYSA-N 0 3 353.875 2.459 20 30 FEEDHN COC(=O)[C@@]1(C(F)(F)F)CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000286631183 551908464 /nfs/dbraw/zinc/90/84/64/551908464.db2.gz SPMALPBIWGNSOR-MRXNPFEDSA-N 0 3 369.343 2.314 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000286661596 551912032 /nfs/dbraw/zinc/91/20/32/551912032.db2.gz NXCGVWMKDATEIR-SJORKVTESA-N 0 3 357.498 2.452 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000286837694 551931941 /nfs/dbraw/zinc/93/19/41/551931941.db2.gz XVXBESZHYHWTDG-QUCCMNQESA-N 0 3 369.509 2.281 20 30 FEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288187132 552106472 /nfs/dbraw/zinc/10/64/72/552106472.db2.gz BFTPKKAHFRAIAP-SJORKVTESA-N 0 3 358.461 2.324 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288327081 552133923 /nfs/dbraw/zinc/13/39/23/552133923.db2.gz XXYYXWDAGHHRCW-BLLLJJGKSA-N 0 3 360.845 2.235 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCc3sccc32)CC1 ZINC000288572129 552177562 /nfs/dbraw/zinc/17/75/62/552177562.db2.gz UOCDKDRTXNCEJG-INIZCTEOSA-N 0 3 361.511 2.398 20 30 FEEDHN COCCOCCN(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000288786142 552212527 /nfs/dbraw/zinc/21/25/27/552212527.db2.gz JRYUUPQYBFEMKB-UHFFFAOYSA-N 0 3 365.499 2.422 20 30 FEEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000288922396 552236553 /nfs/dbraw/zinc/23/65/53/552236553.db2.gz IDIYLMYTOXMODE-INIZCTEOSA-N 0 3 372.469 2.250 20 30 FEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCN(c2ccnc3ccccc32)CC1 ZINC000289397300 552314410 /nfs/dbraw/zinc/31/44/10/552314410.db2.gz RPZYXBRLKOJBFR-MRXNPFEDSA-N 0 3 351.454 2.117 20 30 FEEDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289912056 552398649 /nfs/dbraw/zinc/39/86/49/552398649.db2.gz AMUGKXNLGXOFJM-GFCCVEGCSA-N 0 3 350.850 2.387 20 30 FEEDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000289982979 552409727 /nfs/dbraw/zinc/40/97/27/552409727.db2.gz GQBVXHHNMATSRG-CQSZACIVSA-N 0 3 360.458 2.132 20 30 FEEDHN C#C[C@H](NCc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)C(C)(C)C ZINC000290253081 552448622 /nfs/dbraw/zinc/44/86/22/552448622.db2.gz VWVGYTCGVHBJNN-IBGZPJMESA-N 0 3 374.481 2.070 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)CC1 ZINC000290649507 552512947 /nfs/dbraw/zinc/51/29/47/552512947.db2.gz FHLQIDUGWZNJKW-LJQANCHMSA-N 0 3 354.498 2.483 20 30 FEEDHN Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000290846179 552548521 /nfs/dbraw/zinc/54/85/21/552548521.db2.gz VZXLNVSZTWNNIQ-UHFFFAOYSA-N 0 3 373.464 2.461 20 30 FEEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(N2CCCNC2=O)cc1 ZINC000291195993 552598546 /nfs/dbraw/zinc/59/85/46/552598546.db2.gz JHRGFHDMWKUGRJ-CABCVRRESA-N 0 3 357.458 2.017 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(CCC(=O)Nc3cc(N)ccc3F)C2)nc1 ZINC000292037261 552687050 /nfs/dbraw/zinc/68/70/50/552687050.db2.gz ADWBGUGUZHMGHJ-HNNXBMFYSA-N 0 3 369.400 2.156 20 30 FEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292158087 552699635 /nfs/dbraw/zinc/69/96/35/552699635.db2.gz KRSDFJQUNURNBE-BEFAXECRSA-N 0 3 360.433 2.145 20 30 FEEDHN CC(=O)Nc1ccc(OC[C@H](O)CN(CCOCCC#N)C(C)C)cc1 ZINC000293155744 552794322 /nfs/dbraw/zinc/79/43/22/552794322.db2.gz RDTIADJRCQDBDR-GOSISDBHSA-N 0 3 363.458 2.025 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000294028220 552876662 /nfs/dbraw/zinc/87/66/62/552876662.db2.gz RFUUEIGLUQNFEN-MRXNPFEDSA-N 0 3 374.460 2.141 20 30 FEEDHN CCO[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C12CCCC2 ZINC000295158803 552964743 /nfs/dbraw/zinc/96/47/43/552964743.db2.gz GJGUQQNRVNXESX-JKSUJKDBSA-N 0 3 363.483 2.054 20 30 FEEDHN CN1CCN(CCNc2ncc(Br)cc2C#N)CC1(C)C ZINC000296721549 553202856 /nfs/dbraw/zinc/20/28/56/553202856.db2.gz HPJBWEJCPUGYHM-UHFFFAOYSA-N 0 3 352.280 2.154 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000298200727 553397502 /nfs/dbraw/zinc/39/75/02/553397502.db2.gz GERDQXCXWFSRPL-LJQANCHMSA-N 0 3 370.497 2.097 20 30 FEEDHN CC(C)c1nnc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[nH]1 ZINC000298216585 553399248 /nfs/dbraw/zinc/39/92/48/553399248.db2.gz VFJXKOKMLTVDBC-UHFFFAOYSA-N 0 3 369.473 2.073 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000298559061 553440366 /nfs/dbraw/zinc/44/03/66/553440366.db2.gz DKPYFOIWBGCIBB-KGLIPLIRSA-N 0 3 358.486 2.445 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000298559061 553440368 /nfs/dbraw/zinc/44/03/68/553440368.db2.gz DKPYFOIWBGCIBB-KGLIPLIRSA-N 0 3 358.486 2.445 20 30 FEEDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000298803761 553475032 /nfs/dbraw/zinc/47/50/32/553475032.db2.gz OXZRCIOYFGQCRC-GFCCVEGCSA-N 0 3 361.467 2.322 20 30 FEEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000299345509 553550838 /nfs/dbraw/zinc/55/08/38/553550838.db2.gz FSUOLJMRKGDUAE-AWEZNQCLSA-N 0 3 359.451 2.277 20 30 FEEDHN C#CCCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000299541392 553578300 /nfs/dbraw/zinc/57/83/00/553578300.db2.gz FLCUAMLODLOILE-UHFFFAOYSA-N 0 3 356.495 2.078 20 30 FEEDHN Cc1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N2CCCC2)o1 ZINC000301407305 553649269 /nfs/dbraw/zinc/64/92/69/553649269.db2.gz MRVALXOJDXVSML-QGZVFWFLSA-N 0 3 374.466 2.356 20 30 FEEDHN CN(CCCN1CCN(C)CC1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302711783 553727403 /nfs/dbraw/zinc/72/74/03/553727403.db2.gz ZPFUSBZRQJXUJL-UHFFFAOYSA-N 0 3 368.441 2.088 20 30 FEEDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000328698249 553808781 /nfs/dbraw/zinc/80/87/81/553808781.db2.gz HMDOJTJXJUHPNG-GOSISDBHSA-N 0 3 356.470 2.044 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000329029412 553867975 /nfs/dbraw/zinc/86/79/75/553867975.db2.gz ANYLQQGOWOBOLP-SFHVURJKSA-N 0 3 370.497 2.262 20 30 FEEDHN CN1CCC2(CCCN2C(=O)Nc2cccc(Cn3cncn3)c2)CC1 ZINC000329056971 553872877 /nfs/dbraw/zinc/87/28/77/553872877.db2.gz IJKZHVXQJVFRAL-UHFFFAOYSA-N 0 3 354.458 2.432 20 30 FEEDHN CN1C(=O)C[C@@H](NC(=O)N2CCCN(C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000329096668 553879667 /nfs/dbraw/zinc/87/96/67/553879667.db2.gz YHXVZOSMJHVIPS-NVXWUHKLSA-N 0 3 364.877 2.163 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC000329197651 553900502 /nfs/dbraw/zinc/90/05/02/553900502.db2.gz UITUCXQUWDPILV-XIRDDKMYSA-N 0 3 351.491 2.233 20 30 FEEDHN CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@H](N4CCCC4)[C@@H]3C)c2C1 ZINC000329235940 553908041 /nfs/dbraw/zinc/90/80/41/553908041.db2.gz NYCHKEDTZXVQDR-LESCRADOSA-N 0 3 373.501 2.121 20 30 FEEDHN Cc1nccn1C[C@@H](C)C[NH+]=C([O-])N1CCC(C(=O)N2CCCC2)CC1 ZINC000329299115 553920522 /nfs/dbraw/zinc/92/05/22/553920522.db2.gz URPVXBAISJIYLQ-HNNXBMFYSA-N 0 3 361.490 2.076 20 30 FEEDHN C[C@H](NC(=O)CN1CCC[C@H]1C1CCOCC1)C(=O)N1CCCCC1 ZINC000329449146 553949284 /nfs/dbraw/zinc/94/92/84/553949284.db2.gz MMSRTAGRTBRYBA-RDJZCZTQSA-N 0 3 351.491 2.235 20 30 FEEDHN CC(C)(CNC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCc2ccccc2C1 ZINC000329493862 553957386 /nfs/dbraw/zinc/95/73/86/553957386.db2.gz CYGZUVXYFXHBAU-OTWHNJEPSA-N 0 3 357.498 2.440 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)[C@]12CCCO2 ZINC000329606791 553975405 /nfs/dbraw/zinc/97/54/05/553975405.db2.gz ZZEGAYNQUVDCAN-DIKXUDHVSA-N 0 3 351.491 2.043 20 30 FEEDHN CC[C@@H]1CN(C(=O)NCC[C@H](C)N2CCCCC2)C[C@@H](C)S1(=O)=O ZINC000329776821 554003888 /nfs/dbraw/zinc/00/38/88/554003888.db2.gz ONLBYYDFILDYPP-ARFHVFGLSA-N 0 3 359.536 2.062 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H](C)C3CCN(C)CC3)C2)nn1 ZINC000329781561 554004893 /nfs/dbraw/zinc/00/48/93/554004893.db2.gz NIDKGYAZZYOWPR-WMZOPIPTSA-N 0 3 374.533 2.330 20 30 FEEDHN CC1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)CC2)CC1 ZINC000329818491 554011619 /nfs/dbraw/zinc/01/16/19/554011619.db2.gz XEXZIRSFKJNBHF-SJLPKXTDSA-N 0 3 364.534 2.354 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2cnn(C)c2)C1 ZINC000329873082 554023066 /nfs/dbraw/zinc/02/30/66/554023066.db2.gz DMPKYIDBFAQTNC-JZXOWHBKSA-N 0 3 361.490 2.161 20 30 FEEDHN CC(C)c1nnc([C@H]2CN(C(=O)NC3CCN(C4CC4)CC3)CCO2)o1 ZINC000329894744 554026048 /nfs/dbraw/zinc/02/60/48/554026048.db2.gz BPAFIJHULRFTRU-OAHLLOKOSA-N 0 3 363.462 2.107 20 30 FEEDHN CC(C(=O)NC[C@H]1CCOc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000330035327 554052738 /nfs/dbraw/zinc/05/27/38/554052738.db2.gz BSFGXWKDNXIGTJ-ZIAGYGMSSA-N 0 3 367.467 2.492 20 30 FEEDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCCC23CCN(C)CC3)cn1 ZINC000330053954 554056097 /nfs/dbraw/zinc/05/60/97/554056097.db2.gz REVMORKYBZPKEU-WBVHZDCISA-N 0 3 374.489 2.054 20 30 FEEDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@@H](N(C)C)C2)cn1 ZINC000330126568 554069408 /nfs/dbraw/zinc/06/94/08/554069408.db2.gz CBEBLJPKYNLDCB-INMHGKMJSA-N 0 3 362.478 2.003 20 30 FEEDHN O=C(N[C@@H]1CCn2ccnc2C1)N1CCN(c2cccc(F)c2F)CC1 ZINC000330144780 554073655 /nfs/dbraw/zinc/07/36/55/554073655.db2.gz RWJHEUXOXOBUMJ-CYBMUJFWSA-N 0 3 361.396 2.212 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(CC(=O)NC(=O)NC3CC3)CC2)C[C@@H](C)O1 ZINC000330213155 554086419 /nfs/dbraw/zinc/08/64/19/554086419.db2.gz FCWMZOYWQWBPTM-HUUCEWRRSA-N 0 3 366.506 2.231 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000330261780 554095201 /nfs/dbraw/zinc/09/52/01/554095201.db2.gz PIXASAAHBKHGHG-SPUZQDLCSA-N 0 3 363.502 2.043 20 30 FEEDHN CN1CCC([NH+]2CCC(NC(=O)c3csc(=NC4CC4)[n-]3)CC2)CC1 ZINC000330268551 554096570 /nfs/dbraw/zinc/09/65/70/554096570.db2.gz RGBOYPVLWXPYOZ-UHFFFAOYSA-N 0 3 363.531 2.581 20 30 FEEDHN CCn1cc([C@H]2OCC[C@@H]2NC(=O)NC[C@@H](C)N2CCC(C)CC2)cn1 ZINC000330333533 554106943 /nfs/dbraw/zinc/10/69/43/554106943.db2.gz PVKMXTXNZVPDKT-BPQIPLTHSA-N 0 3 363.506 2.357 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000330911903 554187101 /nfs/dbraw/zinc/18/71/01/554187101.db2.gz QQCQLOUUODNBOO-IRXDYDNUSA-N 0 3 352.523 2.259 20 30 FEEDHN C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000508798326 561773156 /nfs/dbraw/zinc/77/31/56/561773156.db2.gz RYRKTNNGQCVGGV-UHFFFAOYSA-N 0 3 374.533 2.305 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000331406318 554259270 /nfs/dbraw/zinc/25/92/70/554259270.db2.gz FJJRPFGNSZYPRB-MSOLQXFVSA-N 0 3 355.486 2.079 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000331406822 554259505 /nfs/dbraw/zinc/25/95/05/554259505.db2.gz UIVKRYTYWOTKFS-MOPGFXCFSA-N 0 3 364.449 2.102 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000331925740 554347560 /nfs/dbraw/zinc/34/75/60/554347560.db2.gz DCMKFOHLZIDKFG-CALCHBBNSA-N 0 3 370.497 2.318 20 30 FEEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCO[C@H](C#N)C1 ZINC000331979110 554356430 /nfs/dbraw/zinc/35/64/30/554356430.db2.gz FBWJRKWBXWEQRK-RTBURBONSA-N 0 3 370.497 2.393 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(C4CC4)C3)C2)c(F)c1 ZINC000332839534 554527858 /nfs/dbraw/zinc/52/78/58/554527858.db2.gz PTOYSHXUCVRZAK-HZPDHXFCSA-N 0 3 371.460 2.202 20 30 FEEDHN N#C[C@H]1CCC[C@@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511033411 561854376 /nfs/dbraw/zinc/85/43/76/561854376.db2.gz UNUOIQGHQGXPAR-WCQYABFASA-N 0 3 359.854 2.429 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1=O ZINC000348582655 554689850 /nfs/dbraw/zinc/68/98/50/554689850.db2.gz FIMBHIGQDCUEJD-NJAFHUGGSA-N 0 3 357.454 2.020 20 30 FEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@@H](Cc2ccccn2)C1=O)C(C)C ZINC000349235423 554722445 /nfs/dbraw/zinc/72/24/45/554722445.db2.gz DXQFDRDWEYVWCM-ROUUACIJSA-N 0 3 356.470 2.243 20 30 FEEDHN CSC1c2cc(-c3noc([C@H](C)n4cnc(C#N)n4)n3)ccc2NC1=O ZINC000350110729 554760963 /nfs/dbraw/zinc/76/09/63/554760963.db2.gz LYPQKQSNOFUERP-SDBXPKJASA-N 0 3 367.394 2.165 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](Cc2ccccc2)N2CCCOC2=O)CC1 ZINC000360976297 554898420 /nfs/dbraw/zinc/89/84/20/554898420.db2.gz FQOKUCYZYDOJTD-LJQANCHMSA-N 0 3 371.481 2.207 20 30 FEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000361285611 554914822 /nfs/dbraw/zinc/91/48/22/554914822.db2.gz AQMGDKMMPNFDOT-ZWKOTPCHSA-N 0 3 374.441 2.156 20 30 FEEDHN C=CCN1CCC(NC(=O)NC2CCN(Cc3cscn3)CC2)CC1 ZINC000361553651 554924793 /nfs/dbraw/zinc/92/47/93/554924793.db2.gz AUXNTGVFISNPOV-UHFFFAOYSA-N 0 3 363.531 2.057 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000362688144 554980922 /nfs/dbraw/zinc/98/09/22/554980922.db2.gz SKARTFMBIZTTSA-BEFAXECRSA-N 0 3 355.486 2.356 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)N2CCCN(CCCOC)CC2)cc1 ZINC000362934047 555000389 /nfs/dbraw/zinc/00/03/89/555000389.db2.gz WNFQGQYCBONYCD-UHFFFAOYSA-N 0 3 374.485 2.179 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cn(-c3ccc(F)cc3)nc2C)CC1 ZINC000363209252 555054418 /nfs/dbraw/zinc/05/44/18/555054418.db2.gz MEEIMKCARAMNBA-UHFFFAOYSA-N 0 3 354.429 2.281 20 30 FEEDHN Cc1cc(N2CCC(N(C)CC(=O)N[C@](C)(C#N)C(C)C)CC2)nc(C)n1 ZINC000363349744 555083546 /nfs/dbraw/zinc/08/35/46/555083546.db2.gz RNYKAGBYCKXEME-HXUWFJFHSA-N 0 3 372.517 2.049 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCCC[C@H]1CN1CCCC1=O ZINC000363527859 555128906 /nfs/dbraw/zinc/12/89/06/555128906.db2.gz YBSBUJYXCASVSA-HNNXBMFYSA-N 0 3 360.483 2.425 20 30 FEEDHN COC(=O)[C@H]1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC000364030208 555236387 /nfs/dbraw/zinc/23/63/87/555236387.db2.gz JQHHLPOPEXSVAL-LJISPDSOSA-N 0 3 351.447 2.209 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000364193045 555267101 /nfs/dbraw/zinc/26/71/01/555267101.db2.gz VGIZNSQQKLGPHU-CYBMUJFWSA-N 0 3 363.408 2.084 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000364697535 555377524 /nfs/dbraw/zinc/37/75/24/555377524.db2.gz ONIBZZCYIVBXDV-QGZVFWFLSA-N 0 3 361.490 2.150 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)CC1 ZINC000364697534 555377551 /nfs/dbraw/zinc/37/75/51/555377551.db2.gz ONIBZZCYIVBXDV-KRWDZBQOSA-N 0 3 361.490 2.150 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000512745853 561914034 /nfs/dbraw/zinc/91/40/34/561914034.db2.gz XBDAJIPYKHBOPL-NVXWUHKLSA-N 0 3 361.511 2.448 20 30 FEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365147491 555495556 /nfs/dbraw/zinc/49/55/56/555495556.db2.gz BZDQLUOTVJBANW-OALUTQOASA-N 0 3 370.497 2.142 20 30 FEEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000365187267 555505576 /nfs/dbraw/zinc/50/55/76/555505576.db2.gz RIUDYVSVPWBCQS-STQMWFEESA-N 0 3 366.368 2.144 20 30 FEEDHN N#Cc1ccc(Br)c(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000365201861 555510032 /nfs/dbraw/zinc/51/00/32/555510032.db2.gz KGUICNGCNKOCGO-DLBZAZTESA-N 0 3 364.287 2.352 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(-n3ccnc3)nc2)cc1 ZINC000365304453 555537122 /nfs/dbraw/zinc/53/71/22/555537122.db2.gz IACAKWWKHXIBQR-GOSISDBHSA-N 0 3 356.389 2.138 20 30 FEEDHN C=CCN(C(=O)COC[C@@H]1CCOC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000365325904 555543093 /nfs/dbraw/zinc/54/30/93/555543093.db2.gz JFDDQNRPUFZHHC-WOJBJXKFSA-N 0 3 358.482 2.329 20 30 FEEDHN CN(C)C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)c2ccccc2O1 ZINC000366163859 555769598 /nfs/dbraw/zinc/76/95/98/555769598.db2.gz WVKWBSSBNIUPOK-GOSISDBHSA-N 0 3 364.449 2.004 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000366320800 555811083 /nfs/dbraw/zinc/81/10/83/555811083.db2.gz VYUGCIHBSIEMDS-PXNSSMCTSA-N 0 3 370.497 2.156 20 30 FEEDHN C#CC[C@H](NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000367030660 556000367 /nfs/dbraw/zinc/00/03/67/556000367.db2.gz ROFUTISSXOWLTR-GIVPXCGWSA-N 0 3 368.525 2.418 20 30 FEEDHN C=CCOCCCC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000367434558 556048118 /nfs/dbraw/zinc/04/81/18/556048118.db2.gz IQXDNIDAJUKQTC-OAQYLSRUSA-N 0 3 371.525 2.388 20 30 FEEDHN C=CCOc1ccc(CN2CCN([C@@H]3CCCN(C)C3)CC2)cc1OC ZINC000367472562 556059809 /nfs/dbraw/zinc/05/98/09/556059809.db2.gz OXUBJFPQCUFPQB-LJQANCHMSA-N 0 3 359.514 2.472 20 30 FEEDHN C[C@H](NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000514875637 561984630 /nfs/dbraw/zinc/98/46/30/561984630.db2.gz KONKEJPAYYOQIY-JYJNAYRXSA-N 0 3 356.470 2.115 20 30 FEEDHN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000368666138 556379358 /nfs/dbraw/zinc/37/93/58/556379358.db2.gz CJTPZUPPDPTOOP-YSIASYRMSA-N 0 3 371.481 2.163 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000369157959 556520285 /nfs/dbraw/zinc/52/02/85/556520285.db2.gz SNXBBOLEUCBYOA-GOSISDBHSA-N 0 3 365.481 2.302 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)CC1 ZINC000369413098 556595454 /nfs/dbraw/zinc/59/54/54/556595454.db2.gz JBSDESMHYHBOFO-GOSISDBHSA-N 0 3 371.456 2.091 20 30 FEEDHN C#CCCN1CCC(NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)CC1 ZINC000369592620 556640912 /nfs/dbraw/zinc/64/09/12/556640912.db2.gz QGBNOFCXJBFZEN-NRFANRHFSA-N 0 3 367.493 2.126 20 30 FEEDHN C[C@H](CO)N1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000369732082 556679821 /nfs/dbraw/zinc/67/98/21/556679821.db2.gz MTPLVRGOFXRKGC-QGZVFWFLSA-N 0 3 368.481 2.474 20 30 FEEDHN COCCN(C)CCCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369870840 556717927 /nfs/dbraw/zinc/71/79/27/556717927.db2.gz GXAPKFCJZNUJJU-MOPGFXCFSA-N 0 3 358.486 2.436 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H](N(C)C)C3)C2)n1 ZINC000369935752 556734857 /nfs/dbraw/zinc/73/48/57/556734857.db2.gz JIWYRLADANLQNL-ROUUACIJSA-N 0 3 355.486 2.031 20 30 FEEDHN CC1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN(Cc2ccccc2)CC1 ZINC000369954458 556740325 /nfs/dbraw/zinc/74/03/25/556740325.db2.gz IDIYGAMAGMZSDC-FQEVSTJZSA-N 0 3 366.509 2.487 20 30 FEEDHN C=CCn1c(C)cc(C(=O)CN2CCC[C@@H]2CN2CCC[C@@H]2CO)c1C ZINC000370355159 556849191 /nfs/dbraw/zinc/84/91/91/556849191.db2.gz LDRADMLDHJKOAE-RTBURBONSA-N 0 3 359.514 2.395 20 30 FEEDHN C=CCn1c(C)cc(C(=O)CN2CCC[C@@H]2CN2CCC[C@H]2CO)c1C ZINC000370355156 556849439 /nfs/dbraw/zinc/84/94/39/556849439.db2.gz LDRADMLDHJKOAE-MOPGFXCFSA-N 0 3 359.514 2.395 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCCC[C@H]3[C@H]3CNC(=O)C3)C2=O)cc1 ZINC000370500029 556891458 /nfs/dbraw/zinc/89/14/58/556891458.db2.gz OSLGEHCLLHFWTF-NEWSRXKRSA-N 0 3 366.465 2.044 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000370507462 556893989 /nfs/dbraw/zinc/89/39/89/556893989.db2.gz IETBTBNRYLYRER-FRQCXROJSA-N 0 3 351.491 2.005 20 30 FEEDHN CN1CC[C@H](NCC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000370730952 556952267 /nfs/dbraw/zinc/95/22/67/556952267.db2.gz RSAPHHQBFPSGGZ-PZJWPPBQSA-N 0 3 366.440 2.349 20 30 FEEDHN CN1CCC[C@H](N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C1 ZINC000370879733 557000330 /nfs/dbraw/zinc/00/03/30/557000330.db2.gz XZXUPKSGCXJAOQ-VQTJNVASSA-N 0 3 369.513 2.453 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896832 557007246 /nfs/dbraw/zinc/00/72/46/557007246.db2.gz CVNPDKDCQMZDID-HNNXBMFYSA-N 0 3 360.483 2.425 20 30 FEEDHN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)CCOCCC#N ZINC000517043168 562073041 /nfs/dbraw/zinc/07/30/41/562073041.db2.gz IYRJLCNCBPBZII-HNNXBMFYSA-N 0 3 351.472 2.150 20 30 FEEDHN N#CCCC1CCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000517232607 562081482 /nfs/dbraw/zinc/08/14/82/562081482.db2.gz AHHUDWCMPDIPDH-HXUWFJFHSA-N 0 3 370.497 2.479 20 30 FEEDHN C=CCNC(=O)CN(C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000371250244 557119727 /nfs/dbraw/zinc/11/97/27/557119727.db2.gz URPDEPKBZOKKGI-UHFFFAOYSA-N 0 3 362.449 2.304 20 30 FEEDHN C=CCOc1ccc(CC(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC000517284941 562084358 /nfs/dbraw/zinc/08/43/58/562084358.db2.gz PELGYIDYQUDUAM-FQEVSTJZSA-N 0 3 371.525 2.421 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000517335914 562085788 /nfs/dbraw/zinc/08/57/88/562085788.db2.gz ZCRHTIBUJSKSLU-HXUWFJFHSA-N 0 3 372.513 2.010 20 30 FEEDHN C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000517469408 562090831 /nfs/dbraw/zinc/09/08/31/562090831.db2.gz KKQSXIWEEGYARC-MRXNPFEDSA-N 0 3 356.470 2.453 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@]2(CCOC2)C1)C(C)C ZINC000371431140 557185368 /nfs/dbraw/zinc/18/53/68/557185368.db2.gz MWDPYIHEMPPIGH-NLWGTHIKSA-N 0 3 365.518 2.322 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2nn(-c3cccnc3)cc2C)CC1 ZINC000371774504 557290341 /nfs/dbraw/zinc/29/03/41/557290341.db2.gz QBTIVCAYGNTIHF-UHFFFAOYSA-N 0 3 354.458 2.738 20 30 FEEDHN C[C@H](C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)N1[C@H](C)CC[C@@H]1C ZINC000372218832 557412411 /nfs/dbraw/zinc/41/24/11/557412411.db2.gz QPVWZFXHPWMGEK-CKBPBPHLSA-N 0 3 366.465 2.120 20 30 FEEDHN CC(C)CN1CCCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000372641644 557528043 /nfs/dbraw/zinc/52/80/43/557528043.db2.gz UKDXYRJWEVXEOP-INIZCTEOSA-N 0 3 372.469 2.106 20 30 FEEDHN C#CCN1CCC(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373418915 557689945 /nfs/dbraw/zinc/68/99/45/557689945.db2.gz SUSIYSVNGPNXMT-UHFFFAOYSA-N 0 3 371.447 2.253 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1Cl ZINC000373921410 557787497 /nfs/dbraw/zinc/78/74/97/557787497.db2.gz MDYHBAMWTQNDAI-OAHLLOKOSA-N 0 3 360.845 2.237 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000520790723 562163770 /nfs/dbraw/zinc/16/37/70/562163770.db2.gz BGWBMNASKAIJTA-GASCZTMLSA-N 0 3 372.469 2.275 20 30 FEEDHN C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)C1=CCN(C)CC1 ZINC000374417215 557881350 /nfs/dbraw/zinc/88/13/50/557881350.db2.gz UNAXKILHEVCUPA-MRXNPFEDSA-N 0 3 353.470 2.299 20 30 FEEDHN C#CCCCCNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000374547296 557898029 /nfs/dbraw/zinc/89/80/29/557898029.db2.gz FJRVCVPKBKBZMI-UHFFFAOYSA-N 0 3 351.454 2.097 20 30 FEEDHN CCN(CCC#N)C(=O)CN[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000374851171 557940906 /nfs/dbraw/zinc/94/09/06/557940906.db2.gz ORACERJELPYXQL-FPOVZHCZSA-N 0 3 370.497 2.325 20 30 FEEDHN CCN(CCC#N)C(=O)CN[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000374851172 557941036 /nfs/dbraw/zinc/94/10/36/557941036.db2.gz ORACERJELPYXQL-PZJWPPBQSA-N 0 3 370.497 2.325 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(C)C ZINC000375121196 557980753 /nfs/dbraw/zinc/98/07/53/557980753.db2.gz ZNIOFVQKGCBUNX-ZHALLVOQSA-N 0 3 362.518 2.041 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000375595650 558054520 /nfs/dbraw/zinc/05/45/20/558054520.db2.gz IAPINZGJXSFJHH-DOTOQJQBSA-N 0 3 353.470 2.131 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000376332406 558159309 /nfs/dbraw/zinc/15/93/09/558159309.db2.gz KUJYTSIXVGTIEF-IEBWSBKVSA-N 0 3 370.497 2.188 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000376626799 558199605 /nfs/dbraw/zinc/19/96/05/558199605.db2.gz IHXXVJUXXDNMNY-MSQAHXEGSA-N 0 3 363.439 2.061 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000377239770 558296484 /nfs/dbraw/zinc/29/64/84/558296484.db2.gz RJXOZAWZLVHPFM-LEWJYISDSA-N 0 3 368.525 2.042 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000522279406 562195928 /nfs/dbraw/zinc/19/59/28/562195928.db2.gz IGLZQMXUXARSKQ-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN COCCCN(C)CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000377881077 558440902 /nfs/dbraw/zinc/44/09/02/558440902.db2.gz USDBDFDFQSXYJI-RTBURBONSA-N 0 3 358.486 2.436 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H](c3nnc[nH]3)C1)CCC2 ZINC000378001394 558460610 /nfs/dbraw/zinc/46/06/10/558460610.db2.gz RHTVHMACGLZRPU-LBPRGKRZSA-N 0 3 370.482 2.435 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](NC(=O)N2CCCC2)[C@H](C)CC)CC1 ZINC000522884703 562205457 /nfs/dbraw/zinc/20/54/57/562205457.db2.gz OLEPCZOGYYCAJA-AEFFLSMTSA-N 0 3 364.534 2.363 20 30 FEEDHN C[C@@H]1CCN(CCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000524775418 562234526 /nfs/dbraw/zinc/23/45/26/562234526.db2.gz GSEUKRDNZJUFQN-QGZVFWFLSA-N 0 3 356.470 2.171 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000410405020 558755430 /nfs/dbraw/zinc/75/54/30/558755430.db2.gz CFIMCJYFGXRNNX-RDJZCZTQSA-N 0 3 352.504 2.056 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(F)c(F)c2C)CC1 ZINC000411218902 558854894 /nfs/dbraw/zinc/85/48/94/558854894.db2.gz ALEMXEPBJWOTCX-UHFFFAOYSA-N 0 3 351.397 2.368 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](CO)[C@H]1CCCOC1 ZINC000411999851 559000884 /nfs/dbraw/zinc/00/08/84/559000884.db2.gz XYWLKSUYASDGDE-ZOBUZTSGSA-N 0 3 352.500 2.028 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](CO)[C@@H]1CCCOC1 ZINC000411999848 559001014 /nfs/dbraw/zinc/00/10/14/559001014.db2.gz XYWLKSUYASDGDE-ZMSDIMECSA-N 0 3 352.500 2.028 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)c(Cl)c1 ZINC000415426297 559235136 /nfs/dbraw/zinc/23/51/36/559235136.db2.gz MXQGPOYLHUBDSI-INIZCTEOSA-N 0 3 362.861 2.368 20 30 FEEDHN COCCNCCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000415728798 559265688 /nfs/dbraw/zinc/26/56/88/559265688.db2.gz BPHXEMQKOCGMPA-UHFFFAOYSA-N 0 3 355.398 2.103 20 30 FEEDHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000415843567 559277700 /nfs/dbraw/zinc/27/77/00/559277700.db2.gz QEMXKYFVFIZSPR-GOSISDBHSA-N 0 3 350.422 2.184 20 30 FEEDHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000415843568 559277727 /nfs/dbraw/zinc/27/77/27/559277727.db2.gz QEMXKYFVFIZSPR-SFHVURJKSA-N 0 3 350.422 2.184 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419632118 559450570 /nfs/dbraw/zinc/45/05/70/559450570.db2.gz FQBMRMFKPQTHOL-AZUAARDMSA-N 0 3 370.497 2.328 20 30 FEEDHN C=C(C)[C@@H](NC(=O)C(=O)N1CCCC[C@H]1CN)c1ccc(F)c(F)c1 ZINC000419674674 559453179 /nfs/dbraw/zinc/45/31/79/559453179.db2.gz JILNVKHGCPCIQY-XJKSGUPXSA-N 0 3 351.397 2.038 20 30 FEEDHN Cc1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)c1C#N ZINC000420467295 559489128 /nfs/dbraw/zinc/48/91/28/559489128.db2.gz CTWYJQXOPKWYMT-DOTOQJQBSA-N 0 3 359.426 2.121 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420472537 559489478 /nfs/dbraw/zinc/48/94/78/559489478.db2.gz SNIPFCFSGUJENC-DOTOQJQBSA-N 0 3 359.426 2.121 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCC1(O)CCC1 ZINC000422243389 559573113 /nfs/dbraw/zinc/57/31/13/559573113.db2.gz XPQQFLCPHYBQNU-UHFFFAOYSA-N 0 3 358.486 2.327 20 30 FEEDHN CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)C1CC1 ZINC000422375347 559583163 /nfs/dbraw/zinc/58/31/63/559583163.db2.gz JIQMBANPFSKMGD-GOSISDBHSA-N 0 3 370.497 2.069 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000422533429 559593419 /nfs/dbraw/zinc/59/34/19/559593419.db2.gz XHHCEIGMUZFZAF-QXAKKESOSA-N 0 3 357.498 2.089 20 30 FEEDHN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@H](N)CCCC#N)O[C@H](C)C2 ZINC000424135193 559655781 /nfs/dbraw/zinc/65/57/81/559655781.db2.gz JANBBYMSYYGDGF-UOJCXKCYSA-N 0 3 357.454 2.402 20 30 FEEDHN C=CCCn1cc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)nn1 ZINC000424752550 559675770 /nfs/dbraw/zinc/67/57/70/559675770.db2.gz XITYGCPUOWNDHR-UHFFFAOYSA-N 0 3 354.458 2.238 20 30 FEEDHN C=CCCn1cc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)nn1 ZINC000424816867 559677523 /nfs/dbraw/zinc/67/75/23/559677523.db2.gz ASOPTZVLUWKKSY-UHFFFAOYSA-N 0 3 369.469 2.257 20 30 FEEDHN COC(=O)[C@@H]1CN(C(=O)C(C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000425010269 559683566 /nfs/dbraw/zinc/68/35/66/559683566.db2.gz MYIAPCCEGMKKFA-LEWSCRJBSA-N 0 3 365.227 2.324 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000425247401 559693189 /nfs/dbraw/zinc/69/31/89/559693189.db2.gz NTRHKXQJNQBGDO-UHFFFAOYSA-N 0 3 353.514 2.437 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000425526260 559707871 /nfs/dbraw/zinc/70/78/71/559707871.db2.gz JLAMVCWZXAYMRQ-MRXNPFEDSA-N 0 3 357.502 2.287 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000425778908 559719249 /nfs/dbraw/zinc/71/92/49/559719249.db2.gz BVOADXVMPUAMNI-WMZOPIPTSA-N 0 3 359.470 2.174 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000425874352 559723700 /nfs/dbraw/zinc/72/37/00/559723700.db2.gz CHXGHZBOEJRGBZ-DLBZAZTESA-N 0 3 370.497 2.314 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000428021798 559767705 /nfs/dbraw/zinc/76/77/05/559767705.db2.gz JRCDQXTTXXEFPA-UHFFFAOYSA-N 0 3 350.850 2.226 20 30 FEEDHN C[C@@H](c1ccccc1)[C@H](NCCC(=O)Nc1sccc1C#N)C(N)=O ZINC000428856933 559784895 /nfs/dbraw/zinc/78/48/95/559784895.db2.gz PMFCVEKOWICIRL-LRDDRELGSA-N 0 3 356.451 2.196 20 30 FEEDHN Cc1ccc2ncc(C#N)c(NCC(=O)NCCN3CCCCCC3)c2c1 ZINC000431486905 559840151 /nfs/dbraw/zinc/84/01/51/559840151.db2.gz WMPYWUWCSYMPPQ-UHFFFAOYSA-N 0 3 365.481 2.241 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000431845383 559847186 /nfs/dbraw/zinc/84/71/86/559847186.db2.gz ODHKOBMFAHTABR-GOSISDBHSA-N 0 3 364.449 2.094 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434748313 559908352 /nfs/dbraw/zinc/90/83/52/559908352.db2.gz RKZHOHSMQKIMLE-BOFXEDATSA-N 0 3 371.529 2.449 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCN1CCCC(C)(C)C1 ZINC000435306288 559919907 /nfs/dbraw/zinc/91/99/07/559919907.db2.gz UTYZNGXSBZGFEF-UHFFFAOYSA-N 0 3 373.501 2.291 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000435687455 559928097 /nfs/dbraw/zinc/92/80/97/559928097.db2.gz GBKWZRYYFZWVOE-OAHLLOKOSA-N 0 3 366.421 2.409 20 30 FEEDHN COCCN1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000443431900 560084049 /nfs/dbraw/zinc/08/40/49/560084049.db2.gz PTJVHRXVJFPCET-UHFFFAOYSA-N 0 3 355.398 2.173 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C)c(Br)c1 ZINC000445548854 560132825 /nfs/dbraw/zinc/13/28/25/560132825.db2.gz KHYBXZKVEHCRAS-LLVKDONJSA-N 0 3 360.273 2.363 20 30 FEEDHN N#Cc1ccc(N2C[C@@H](C(=O)NCCN3CCCCC3)CC2=O)cc1Cl ZINC000448706075 560195236 /nfs/dbraw/zinc/19/52/36/560195236.db2.gz WTZDQWKORYOGRG-HNNXBMFYSA-N 0 3 374.872 2.167 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449823099 560241380 /nfs/dbraw/zinc/24/13/80/560241380.db2.gz YZGVKSVRQHJZHX-GFCCVEGCSA-N 0 3 366.259 2.300 20 30 FEEDHN CCN1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449852532 560242787 /nfs/dbraw/zinc/24/27/87/560242787.db2.gz DRZYUGSWAQIPOO-UHFFFAOYSA-N 0 3 366.259 2.254 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCN1C ZINC000449943193 560245901 /nfs/dbraw/zinc/24/59/01/560245901.db2.gz YHBQHRIBCFXCRC-YPMHNXCESA-N 0 3 366.259 2.298 20 30 FEEDHN CN(C)C1(CNS(=O)(=O)Cc2ccc(F)cc2C#N)CCCCC1 ZINC000450974640 560280890 /nfs/dbraw/zinc/28/08/90/560280890.db2.gz NBYRWVDYECLAEN-UHFFFAOYSA-N 0 3 353.463 2.381 20 30 FEEDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451406681 560305052 /nfs/dbraw/zinc/30/50/52/560305052.db2.gz KDKNSVOFXLJBBR-CQSZACIVSA-N 0 3 353.463 2.381 20 30 FEEDHN CN(C)CC1(NC(=O)COc2cccc(Br)c2C#N)CCC1 ZINC000451628372 560317987 /nfs/dbraw/zinc/31/79/87/560317987.db2.gz BHVTUCCDJJIHCH-UHFFFAOYSA-N 0 3 366.259 2.300 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000451678542 560321585 /nfs/dbraw/zinc/32/15/85/560321585.db2.gz INTZVQLNQNOASI-SXLOBPIMSA-N 0 3 357.498 2.215 20 30 FEEDHN CN1CC=C(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000453686059 560396703 /nfs/dbraw/zinc/39/67/03/560396703.db2.gz BKCDDHWLNQIVOZ-UHFFFAOYSA-N 0 3 370.453 2.052 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)c(Cl)c1 ZINC000453712442 560398844 /nfs/dbraw/zinc/39/88/44/560398844.db2.gz SFZQISLLLFXVHA-HNNXBMFYSA-N 0 3 374.872 2.431 20 30 FEEDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCN1C ZINC000453713417 560398919 /nfs/dbraw/zinc/39/89/19/560398919.db2.gz IFBARBBEZMUTEX-OCCSQVGLSA-N 0 3 362.861 2.286 20 30 FEEDHN Cc1nc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)ccc1C#N ZINC000453732173 560400245 /nfs/dbraw/zinc/40/02/45/560400245.db2.gz CVWCNMOVOYDCPW-KDOFPFPSSA-N 0 3 365.437 2.008 20 30 FEEDHN COc1ccc([C@H](CO)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000458193254 560607999 /nfs/dbraw/zinc/60/79/99/560607999.db2.gz FKZBCVMPJXCLTR-MOPGFXCFSA-N 0 3 363.417 2.141 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)CC1 ZINC000458330405 560615162 /nfs/dbraw/zinc/61/51/62/560615162.db2.gz GOLFHVBUIJGQBK-MOPGFXCFSA-N 0 3 371.481 2.235 20 30 FEEDHN C=CCC[C@H](CO)NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000458748790 560645715 /nfs/dbraw/zinc/64/57/15/560645715.db2.gz CICPOCRFHIUOJV-QGZVFWFLSA-N 0 3 361.486 2.286 20 30 FEEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@](O)(CO)C3)c2)c1 ZINC000459665827 560701054 /nfs/dbraw/zinc/70/10/54/560701054.db2.gz BRHYJWNOWLUVHA-OAQYLSRUSA-N 0 3 352.434 2.456 20 30 FEEDHN COC(=O)[C@H](Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cccc(C#N)c1 ZINC000461098379 560761424 /nfs/dbraw/zinc/76/14/24/560761424.db2.gz OVFJCVBGLZARGZ-WOJBJXKFSA-N 0 3 365.433 2.451 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462094489 560796663 /nfs/dbraw/zinc/79/66/63/560796663.db2.gz BHQHAZFAEHKENB-CQSZACIVSA-N 0 3 367.457 2.333 20 30 FEEDHN C[C@H](C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000462270479 560803770 /nfs/dbraw/zinc/80/37/70/560803770.db2.gz OCTCGEAOJXKMKQ-UWVAXJGDSA-N 0 3 354.498 2.146 20 30 FEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468853763 560940566 /nfs/dbraw/zinc/94/05/66/560940566.db2.gz FCPVZEZGHMVXHV-QGZVFWFLSA-N 0 3 368.437 2.396 20 30 FEEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000470816471 560990344 /nfs/dbraw/zinc/99/03/44/560990344.db2.gz OTGOMQNOBRVQCT-WMZOPIPTSA-N 0 3 359.424 2.475 20 30 FEEDHN CC(C)OCC[C@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000471548292 561006915 /nfs/dbraw/zinc/00/69/15/561006915.db2.gz PYSJIVBTXDVEPU-IBGZPJMESA-N 0 3 359.470 2.385 20 30 FEEDHN COc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc(OC)c1O ZINC000472354216 561024992 /nfs/dbraw/zinc/02/49/92/561024992.db2.gz VCGNTIZPEISOGT-MRXNPFEDSA-N 0 3 365.389 2.280 20 30 FEEDHN CC(=O)N[C@H](C)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472595127 561030481 /nfs/dbraw/zinc/03/04/81/561030481.db2.gz GFOBCFHIRNUUGT-KUHUBIRLSA-N 0 3 352.438 2.004 20 30 FEEDHN C=CCOc1ccc(CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1OC ZINC000473837150 561058612 /nfs/dbraw/zinc/05/86/12/561058612.db2.gz RGXDBFSBAZHIIY-CVEARBPZSA-N 0 3 368.499 2.210 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)Cc1ccccc1 ZINC000475321949 561094872 /nfs/dbraw/zinc/09/48/72/561094872.db2.gz NIMKGDZAJYGZCD-FQEVSTJZSA-N 0 3 351.450 2.052 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1CCC(C(N)=O)CC1)C(C)C ZINC000476023084 561109601 /nfs/dbraw/zinc/10/96/01/561109601.db2.gz GNOKBDFBACWVEE-JCYILVPMSA-N 0 3 350.507 2.028 20 30 FEEDHN CCN(CC)C[C@H](C)NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000477083383 561136227 /nfs/dbraw/zinc/13/62/27/561136227.db2.gz PLANUIOFRFRJLE-INIZCTEOSA-N 0 3 358.486 2.142 20 30 FEEDHN CC(=O)Nc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccn1 ZINC000528283308 562320541 /nfs/dbraw/zinc/32/05/41/562320541.db2.gz SIFPCFNJZKBWJK-UHFFFAOYSA-N 0 3 365.437 2.116 20 30 FEEDHN CC(C)(C)CCN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528352999 562324259 /nfs/dbraw/zinc/32/42/59/562324259.db2.gz MFDPBHBOCAXOAP-UHFFFAOYSA-N 0 3 367.493 2.340 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000528427470 562328770 /nfs/dbraw/zinc/32/87/70/562328770.db2.gz ZEUNUTBHPKYYHF-AEFFLSMTSA-N 0 3 367.453 2.104 20 30 FEEDHN CO[C@@H]1C[C@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528515469 562333333 /nfs/dbraw/zinc/33/33/33/562333333.db2.gz AAUDULZDNMXRNK-ZWKOTPCHSA-N 0 3 352.434 2.175 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000528516728 562333600 /nfs/dbraw/zinc/33/36/00/562333600.db2.gz AIWKISIHCBHNON-VQTJNVASSA-N 0 3 366.461 2.159 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC2(CCOCC2)CC[C@H]1CO ZINC000528641865 562339783 /nfs/dbraw/zinc/33/97/83/562339783.db2.gz WCWZDACTACVXIP-HNNXBMFYSA-N 0 3 363.483 2.202 20 30 FEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(C)(N2CCOCC2)CC1 ZINC000528729703 562344521 /nfs/dbraw/zinc/34/45/21/562344521.db2.gz ITSKJQIKKLLYNF-MRXNPFEDSA-N 0 3 356.470 2.072 20 30 FEEDHN N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H]2CCN2C2CCCC2)cn1 ZINC000529061265 562358470 /nfs/dbraw/zinc/35/84/70/562358470.db2.gz HHDHCNYFSADCOF-KRWDZBQOSA-N 0 3 365.441 2.277 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000530233036 562403334 /nfs/dbraw/zinc/40/33/34/562403334.db2.gz OBGHMTSLQAWAMZ-PKOBYXMFSA-N 0 3 355.413 2.306 20 30 FEEDHN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336859 562407460 /nfs/dbraw/zinc/40/74/60/562407460.db2.gz FLZVQQGVNSNPBZ-FZKQIMNGSA-N 0 3 355.438 2.449 20 30 FEEDHN CC(C)c1csc(C(C#N)C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)n1 ZINC000531091744 562434447 /nfs/dbraw/zinc/43/44/47/562434447.db2.gz YCEBSRAEWFTVSP-NSHDSACASA-N 0 3 366.468 2.335 20 30 FEEDHN N#Cc1cccc(OCc2ccoc2C(=O)NCCNc2ccncc2)c1 ZINC000534522988 562535919 /nfs/dbraw/zinc/53/59/19/562535919.db2.gz AKOUBSATPXDOGR-UHFFFAOYSA-N 0 3 362.389 2.389 20 30 FEEDHN N#Cc1ccccc1CSCCNC(=O)NCCNc1ccncc1 ZINC000534525117 562535969 /nfs/dbraw/zinc/53/59/69/562535969.db2.gz SQMMBGRCDSTFLF-UHFFFAOYSA-N 0 3 355.467 2.020 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cncc(N2CCOCC2)c1 ZINC000534583131 562537433 /nfs/dbraw/zinc/53/74/33/562537433.db2.gz UQWXDDBWLBRSIC-INIZCTEOSA-N 0 3 361.405 2.295 20 30 FEEDHN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccc(C#N)cc1 ZINC000540789195 562593108 /nfs/dbraw/zinc/59/31/08/562593108.db2.gz RXBLAVGQMBIVMS-UTKZUKDTSA-N 0 3 364.493 2.498 20 30 FEEDHN COc1cc(CC2CN(C[C@@H](O)CC3(C#N)CCOCC3)C2)cc(OC)c1 ZINC000601958753 567886475 /nfs/dbraw/zinc/88/64/75/567886475.db2.gz NZMUSMQTNVZAJX-SFHVURJKSA-N 0 3 374.481 2.249 20 30 FEEDHN N#CCCN1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000602210234 567952918 /nfs/dbraw/zinc/95/29/18/567952918.db2.gz NEOBWIYGSJYSFU-SFHVURJKSA-N 0 3 358.461 2.096 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602543501 567989891 /nfs/dbraw/zinc/98/98/91/567989891.db2.gz BPUDEICYKOPASJ-ZIAGYGMSSA-N 0 3 366.824 2.112 20 30 FEEDHN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)CC2(C#N)CCOCC2)s1 ZINC000602579612 567993543 /nfs/dbraw/zinc/99/35/43/567993543.db2.gz BXVCCIXTNCZGPR-ZDUSSCGKSA-N 0 3 371.528 2.023 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000602616994 567998116 /nfs/dbraw/zinc/99/81/16/567998116.db2.gz MALZDKJDYANDMP-HNNXBMFYSA-N 0 3 362.449 2.246 20 30 FEEDHN C=CCOCCN1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 ZINC000602968770 568026110 /nfs/dbraw/zinc/02/61/10/568026110.db2.gz OPPRSIARXXOCPR-UHFFFAOYSA-N 0 3 358.389 2.232 20 30 FEEDHN C[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000603097847 568060213 /nfs/dbraw/zinc/06/02/13/568060213.db2.gz GSFYNGFYRBNEIL-HDICACEKSA-N 0 3 354.498 2.343 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(CCF)c2)cc1Cl ZINC000808979496 674476892 /nfs/dbraw/zinc/47/68/92/674476892.db2.gz JECXQAZPJQCLRA-GFCCVEGCSA-N 0 3 364.764 2.476 20 30 FEEDHN Cn1cc(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1 ZINC000808978905 674476919 /nfs/dbraw/zinc/47/69/19/674476919.db2.gz CKORAVBGHHCUHT-JTQLQIEISA-N 0 3 351.338 2.091 20 30 FEEDHN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)C(C#N)C(=O)NC(C)C ZINC000810533266 674549276 /nfs/dbraw/zinc/54/92/76/674549276.db2.gz KSKWCKMCCHFQDS-MRVPVSSYSA-N 0 3 350.728 2.097 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn(C)nc1Cl ZINC000814649081 674872664 /nfs/dbraw/zinc/87/26/64/674872664.db2.gz JCCCYDHGXPRVKK-UHFFFAOYSA-N 0 3 359.861 2.078 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000815082316 674913878 /nfs/dbraw/zinc/91/38/78/674913878.db2.gz KOADGSMYZRSOSQ-LCYFTJDESA-N 0 3 371.300 2.294 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H](c3nnc[nH]3)C1)CCC2 ZINC000563884630 674950064 /nfs/dbraw/zinc/95/00/64/674950064.db2.gz WJZJUGSVUGJMMP-LLVKDONJSA-N 0 3 356.455 2.045 20 30 FEEDHN C=CCn1c(C)nnc1SCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000025320225 670061523 /nfs/dbraw/zinc/06/15/23/670061523.db2.gz ZADUTMRIXZQOKW-MRXNPFEDSA-N 0 3 359.499 2.284 20 30 FEEDHN N#CC(C(=O)CCc1nc(-c2cccs2)no1)C(=O)NC1CCCC1 ZINC000051651862 670302178 /nfs/dbraw/zinc/30/21/78/670302178.db2.gz XSDMOYGHHLTLOR-GFCCVEGCSA-N 0 3 358.423 2.498 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1ccccc1C(F)(F)F ZINC000105755465 670806213 /nfs/dbraw/zinc/80/62/13/670806213.db2.gz ABOMOEKWGYYIRY-ZDUSSCGKSA-N 0 3 356.344 2.500 20 30 FEEDHN CCOC(=O)c1cccc(OC[C@H](O)CNCc2ccc(C#N)s2)c1 ZINC000572751226 671040106 /nfs/dbraw/zinc/04/01/06/671040106.db2.gz ADAZCTVJFGPUMA-CQSZACIVSA-N 0 3 360.435 2.326 20 30 FEEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000577292585 671585775 /nfs/dbraw/zinc/58/57/75/671585775.db2.gz JJHFPCKWVGXYGX-MJGOQNOKSA-N 0 3 360.841 2.469 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(C)c1 ZINC000124301199 671994318 /nfs/dbraw/zinc/99/43/18/671994318.db2.gz QCZWSFVRSSJGMQ-CQSZACIVSA-N 0 3 352.818 2.279 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000125174330 672008188 /nfs/dbraw/zinc/00/81/88/672008188.db2.gz ALOSVPRKLHOFAC-CHWSQXEVSA-N 0 3 352.818 2.277 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Br)s1 ZINC000173957107 672356139 /nfs/dbraw/zinc/35/61/39/672356139.db2.gz QTXDWIHFDITVBY-RKDXNWHRSA-N 0 3 359.245 2.086 20 30 FEEDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)C1 ZINC000590165489 672563068 /nfs/dbraw/zinc/56/30/68/672563068.db2.gz ZVAWAFPRRVOQOR-MRXNPFEDSA-N 0 3 353.875 2.318 20 30 FEEDHN C=CCn1c(C2CC2)nn(CN2CCN(CC(C)(C)O)C[C@H]2C)c1=S ZINC000188842752 672599172 /nfs/dbraw/zinc/59/91/72/672599172.db2.gz TYNCDQNQDBTAQH-CQSZACIVSA-N 0 3 365.547 2.212 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000591630955 672695955 /nfs/dbraw/zinc/69/59/55/672695955.db2.gz YGUFICQTMXZOOC-AWEZNQCLSA-N 0 3 354.223 2.494 20 30 FEEDHN N#Cc1cnn2c1NC[C@H](CN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C2 ZINC000592505079 672809283 /nfs/dbraw/zinc/80/92/83/672809283.db2.gz RHUKDSLXUSQTBJ-MIMYLULJSA-N 0 3 367.297 2.469 20 30 FEEDHN C[NH+](C)CCOc1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593532902 672935933 /nfs/dbraw/zinc/93/59/33/672935933.db2.gz VHBNJVBEHSCTHJ-UHFFFAOYSA-N 0 3 365.480 2.039 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC000594327973 673059159 /nfs/dbraw/zinc/05/91/59/673059159.db2.gz YHNDYGZQASKGTG-CVEARBPZSA-N 0 3 360.845 2.283 20 30 FEEDHN C[C@H](Cn1cccn1)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000328639066 673064343 /nfs/dbraw/zinc/06/43/43/673064343.db2.gz BWYDLQAILBJVET-OAHLLOKOSA-N 0 3 351.520 2.137 20 30 FEEDHN COc1ccc(Br)c(CNC(=O)[C@H](N)CCCCC#N)c1 ZINC000594426931 673070890 /nfs/dbraw/zinc/07/08/90/673070890.db2.gz GLROMILCAISKLO-CQSZACIVSA-N 0 3 354.248 2.485 20 30 FEEDHN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H](N)CCCCC#N ZINC000594424974 673070910 /nfs/dbraw/zinc/07/09/10/673070910.db2.gz FLTNZOOFBQUDBH-AWEZNQCLSA-N 0 3 352.385 2.163 20 30 FEEDHN CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)n1 ZINC000594456558 673074825 /nfs/dbraw/zinc/07/48/25/673074825.db2.gz QLINNNMSLZLVQW-GXTWGEPZSA-N 0 3 364.471 2.395 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000595256911 673214382 /nfs/dbraw/zinc/21/43/82/673214382.db2.gz FFZQOBBNHICSQA-GJZGRUSLSA-N 0 3 366.259 2.370 20 30 FEEDHN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000595373636 673236202 /nfs/dbraw/zinc/23/62/02/673236202.db2.gz SAFJSZRKRWAAMG-GRYCIOLGSA-N 0 3 355.378 2.383 20 30 FEEDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000595631322 673276272 /nfs/dbraw/zinc/27/62/72/673276272.db2.gz HENBHGLJLRXXMF-FMKPAKJESA-N 0 3 365.499 2.331 20 30 FEEDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595630720 673276277 /nfs/dbraw/zinc/27/62/77/673276277.db2.gz BHWXFBVMVDMGON-XGWLTEMNSA-N 0 3 365.861 2.306 20 30 FEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSc3nnnn3C3CC3)nc21 ZINC000735789161 673502979 /nfs/dbraw/zinc/50/29/79/673502979.db2.gz KIGAAFYPAJXJHE-LLVKDONJSA-N 0 3 353.411 2.161 20 30 FEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000598722966 673603397 /nfs/dbraw/zinc/60/33/97/673603397.db2.gz FELOYHHDQPIUOO-DOMZBBRYSA-N 0 3 353.825 2.475 20 30 FEEDHN N#CC(C(=O)c1ccc(Br)cc1-n1cncn1)c1ccncn1 ZINC000544814990 673734172 /nfs/dbraw/zinc/73/41/72/673734172.db2.gz RDVRJMAVHPSZTF-LBPRGKRZSA-N 0 3 369.182 2.310 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000744029584 673779676 /nfs/dbraw/zinc/77/96/76/673779676.db2.gz VOVOKYFOYIXJRK-GXFFZTMASA-N 0 3 351.200 2.227 20 30 FEEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1C ZINC000744032794 673779689 /nfs/dbraw/zinc/77/96/89/673779689.db2.gz IMAQMPOGYHEWKG-LLVKDONJSA-N 0 3 352.181 2.392 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600758404 673797087 /nfs/dbraw/zinc/79/70/87/673797087.db2.gz DGVPTZLEQZZIGV-CVEARBPZSA-N 0 3 360.285 2.213 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@@H](C)C1 ZINC000601357018 673847603 /nfs/dbraw/zinc/84/76/03/673847603.db2.gz YGJLMWQUTYQBDV-XJKSGUPXSA-N 0 3 353.463 2.357 20 30 FEEDHN N#Cc1cc(N2CCN(C3CCOCC3)CC2)ncc1Br ZINC000603305200 673923978 /nfs/dbraw/zinc/92/39/78/673923978.db2.gz PNTVDTAAXHISOR-UHFFFAOYSA-N 0 3 351.248 2.017 20 30 FEEDHN C#CCN(C)CCCNC(=O)COc1ccc(F)cc1Br ZINC000818609114 675228462 /nfs/dbraw/zinc/22/84/62/675228462.db2.gz LCJXMLOAWBYOAN-UHFFFAOYSA-N 0 3 357.223 2.038 20 30 FEEDHN C=CCOc1cccc(CNC[C@H]2CCCCN2S(=O)(=O)N(C)C)c1 ZINC000567079615 675265376 /nfs/dbraw/zinc/26/53/76/675265376.db2.gz RPADMRUSAWEZAJ-QGZVFWFLSA-N 0 3 367.515 2.002 20 30 FEEDHN O=[N+]([O-])c1ccc(N=NC2CCN(CCO)CC2)c(Br)c1 ZINC000819809243 675316173 /nfs/dbraw/zinc/31/61/73/675316173.db2.gz CXKQMKCWCQYSOY-UHFFFAOYSA-N 0 3 357.208 2.213 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)C(=O)NCc2cccs2)CC1 ZINC000645232472 677255992 /nfs/dbraw/zinc/25/59/92/677255992.db2.gz AUTVMHRMHOMIHK-INIZCTEOSA-N 0 3 364.515 2.093 20 30 FEEDHN CCOC(=O)[C@@H]1[C@H](NCC(C)(C)CC#N)CCN1C(=O)OC(C)(C)C ZINC000840788257 680842915 /nfs/dbraw/zinc/84/29/15/680842915.db2.gz WYKNXCKHWLRXMG-KGLIPLIRSA-N 0 3 353.463 2.457 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2COc3ccccc3C2)cc1 ZINC000748450112 679964833 /nfs/dbraw/zinc/96/48/33/679964833.db2.gz OTZCLBHYHJKAOC-MRXNPFEDSA-N 0 3 356.447 2.173 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CNCc2csnc2OC)C1 ZINC001027117395 680355558 /nfs/dbraw/zinc/35/55/58/680355558.db2.gz XJQZYGPQPASOSJ-KBMXLJTQSA-N 0 3 365.499 2.071 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)NCc2cnns2)CC1 ZINC001029156654 680387766 /nfs/dbraw/zinc/38/77/66/680387766.db2.gz KRZIGCGTCKPSKK-COXVUDFISA-N 0 3 364.515 2.236 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1CCCC1CCOCC1 ZINC001038807960 680461694 /nfs/dbraw/zinc/46/16/94/680461694.db2.gz NRWKUYSESLAABW-QYZOEREBSA-N 0 3 350.503 2.365 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(Br)cc1OC ZINC000836410059 680465400 /nfs/dbraw/zinc/46/54/00/680465400.db2.gz LQOHTQLBPPNWGK-UHFFFAOYSA-N 0 3 368.275 2.212 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](Nc3nc(C#N)c(Cl)s3)C2)C1 ZINC001043517058 680585480 /nfs/dbraw/zinc/58/54/80/680585480.db2.gz JRVRLTAJQPDVNH-NQBHXWOUSA-N 0 3 367.906 2.269 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(C)ns2)CC1 ZINC001045504269 680631963 /nfs/dbraw/zinc/63/19/63/680631963.db2.gz MBFZARHGOJCVIG-HZPDHXFCSA-N 0 3 361.515 2.031 20 30 FEEDHN C[C@H](C[C@@H](O)c1cccs1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000843103449 680987970 /nfs/dbraw/zinc/98/79/70/680987970.db2.gz BGXAZRACMRXAMD-CZUORRHYSA-N 0 3 364.492 2.495 20 30 FEEDHN C#CCNC(=O)[C@H](C)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769945440 681001512 /nfs/dbraw/zinc/00/15/12/681001512.db2.gz JAXHYDSZOYXKIN-HNNXBMFYSA-N 0 3 351.491 2.093 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000843930595 681026658 /nfs/dbraw/zinc/02/66/58/681026658.db2.gz TWZCEIFHLAIDNX-CABCVRRESA-N 0 3 351.491 2.140 20 30 FEEDHN Cc1nsc(NC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1C#N ZINC001054454135 681110143 /nfs/dbraw/zinc/11/01/43/681110143.db2.gz AHZZMAPBMGRPKM-TZMCWYRMSA-N 0 3 361.515 2.314 20 30 FEEDHN COC(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)CC1 ZINC000850758504 681957026 /nfs/dbraw/zinc/95/70/26/681957026.db2.gz AEWRZSFTJIGJLN-GFCCVEGCSA-N 0 3 363.801 2.466 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000916871747 685528367 /nfs/dbraw/zinc/52/83/67/685528367.db2.gz XFZIZGCHPIOIRA-DOMZBBRYSA-N 0 3 350.440 2.037 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(=O)N1CCCC1 ZINC000917070717 685529383 /nfs/dbraw/zinc/52/93/83/685529383.db2.gz KACRVAKRSQFOBK-ZDUSSCGKSA-N 0 3 356.451 2.027 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H](N(C)C)C(F)(F)F)CC1 ZINC000917098257 685529695 /nfs/dbraw/zinc/52/96/95/685529695.db2.gz UNADJKDSNOCAOU-AWEZNQCLSA-N 0 3 350.429 2.209 20 30 FEEDHN CC(C)(C#N)CS(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000919261699 685545753 /nfs/dbraw/zinc/54/57/53/685545753.db2.gz GBZJMNMJMMQXGU-PKOBYXMFSA-N 0 3 361.511 2.320 20 30 FEEDHN CCN1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1=O ZINC000787320467 682449919 /nfs/dbraw/zinc/44/99/19/682449919.db2.gz VRNKPHPPBPLIPK-CYBMUJFWSA-N 0 3 356.451 2.027 20 30 FEEDHN CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCN(C)C1 ZINC000855360509 682661457 /nfs/dbraw/zinc/66/14/57/682661457.db2.gz GMVAFXFOPCDWAI-HUUCEWRRSA-N 0 3 352.479 2.126 20 30 FEEDHN COC[C@@]1(C)CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000860199007 683214772 /nfs/dbraw/zinc/21/47/72/683214772.db2.gz CWDKVGSJOZJWIP-FZKQIMNGSA-N 0 3 359.451 2.210 20 30 FEEDHN C#CC[C@H](COC)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000860543808 683258377 /nfs/dbraw/zinc/25/83/77/683258377.db2.gz DGHNPQGWAUBPDN-GOSISDBHSA-N 0 3 361.511 2.438 20 30 FEEDHN C#CCN(C(=O)NCCCSc1nccs1)C1CCN(C)CC1 ZINC000921447894 683471534 /nfs/dbraw/zinc/47/15/34/683471534.db2.gz WUHYSWMPBKWNMQ-UHFFFAOYSA-N 0 3 352.529 2.364 20 30 FEEDHN C=C(Cl)C[C@H]1NC(=O)N(c2cccc(N3CCN(CC)CC3)c2)C1=O ZINC000864556699 683867784 /nfs/dbraw/zinc/86/77/84/683867784.db2.gz CXALLZVTUDDMKO-MRXNPFEDSA-N 0 3 362.861 2.396 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)c3cc4c(s3)CCNC4)CC2)cc1 ZINC000870981650 684777531 /nfs/dbraw/zinc/77/75/31/684777531.db2.gz NVVJZDJVXBSSIO-UHFFFAOYSA-N 0 3 352.463 2.228 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1cc(Cl)ccc1C ZINC000873496583 685142947 /nfs/dbraw/zinc/14/29/47/685142947.db2.gz FMGZHBLLRQBIDK-CQSZACIVSA-N 0 3 352.818 2.279 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(F)c(C(F)F)c2)CC1 ZINC000873734130 685202837 /nfs/dbraw/zinc/20/28/37/685202837.db2.gz GYFDPIYCWSENFV-UHFFFAOYSA-N 0 3 355.360 2.468 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000876628076 686232129 /nfs/dbraw/zinc/23/21/29/686232129.db2.gz XCOVLPUNOZPLMO-CQSZACIVSA-N 0 3 374.243 2.233 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000876636616 686234134 /nfs/dbraw/zinc/23/41/34/686234134.db2.gz BLAFIGBGYLXMIF-OAHLLOKOSA-N 0 3 350.850 2.141 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000876680663 686242610 /nfs/dbraw/zinc/24/26/10/686242610.db2.gz GVXWFSHIIVGSPN-CHWSQXEVSA-N 0 3 356.253 2.422 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000876686319 686243934 /nfs/dbraw/zinc/24/39/34/686243934.db2.gz UXXIRZUIKBCOSI-RYUDHWBXSA-N 0 3 369.815 2.106 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CCSC)c1nnc2ccccn21 ZINC000876713477 686251332 /nfs/dbraw/zinc/25/13/32/686251332.db2.gz JTIIKYUPZXLXPU-NEPJUHHUSA-N 0 3 353.879 2.110 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000876716969 686251994 /nfs/dbraw/zinc/25/19/94/686251994.db2.gz RTUUHYGDZRPJGL-GVXVVHGQSA-N 0 3 358.895 2.161 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000876893616 686289162 /nfs/dbraw/zinc/28/91/62/686289162.db2.gz GQIOSKSKDIFUAE-QWHCGFSZSA-N 0 3 360.216 2.171 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000877037907 686315627 /nfs/dbraw/zinc/31/56/27/686315627.db2.gz ZANMZYGHJZRIBM-NEPJUHHUSA-N 0 3 360.216 2.171 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000877205248 686339743 /nfs/dbraw/zinc/33/97/43/686339743.db2.gz CRKSHEKOOOSNDL-CZUORRHYSA-N 0 3 359.253 2.400 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cn(C)nc2Br)CC1 ZINC000880044515 686983796 /nfs/dbraw/zinc/98/37/96/686983796.db2.gz FALVBYMNZTUCIA-UHFFFAOYSA-N 0 3 356.268 2.345 20 30 FEEDHN N#Cc1cc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)c(F)cc1F ZINC000880709857 687077242 /nfs/dbraw/zinc/07/72/42/687077242.db2.gz CYEIEVVTSJUKAM-CYBMUJFWSA-N 0 3 350.369 2.211 20 30 FEEDHN N#Cc1cnc(N2CCC(CN3CCOCC3)CC2)c(Br)c1 ZINC000881813346 687224308 /nfs/dbraw/zinc/22/43/08/687224308.db2.gz CAURTAYKRXMEAU-UHFFFAOYSA-N 0 3 365.275 2.264 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccns1 ZINC000883844868 687740996 /nfs/dbraw/zinc/74/09/96/687740996.db2.gz SJBIBMWASIXIHH-UHFFFAOYSA-N 0 3 357.483 2.331 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)CC1 ZINC000884131239 687796971 /nfs/dbraw/zinc/79/69/71/687796971.db2.gz GHXUTHXIKZOCHN-HHXXYDBFSA-N 0 3 351.491 2.053 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@H]1CCN(c3cccc(Cl)c3)C1)C2 ZINC000884232414 687825563 /nfs/dbraw/zinc/82/55/63/687825563.db2.gz QMNMOHARPWTPGG-XLMXBGDPSA-N 0 3 358.873 2.174 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccsc1Br)C2 ZINC000884313120 687844836 /nfs/dbraw/zinc/84/48/36/687844836.db2.gz WSOAXOUEKPCCHE-IQLKVPPVSA-N 0 3 354.273 2.266 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCC[C@H]1CSc3ccccc3O1)C2 ZINC000884373854 687857549 /nfs/dbraw/zinc/85/75/49/687857549.db2.gz YBSWMLOWFYXDBN-LPRCSBTHSA-N 0 3 357.479 2.185 20 30 FEEDHN C#CCN(C(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886573702 688278380 /nfs/dbraw/zinc/27/83/80/688278380.db2.gz SPGYADLRUAYWCO-MRXNPFEDSA-N 0 3 351.491 2.188 20 30 FEEDHN C#CCN(C(=O)c1ccc(C)nc1Br)C1CCN(C)CC1 ZINC000886579655 688279561 /nfs/dbraw/zinc/27/95/61/688279561.db2.gz CPIZAIWNTJBZQT-UHFFFAOYSA-N 0 3 350.260 2.322 20 30 FEEDHN C#CCN(C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1)C1CCN(C)CC1 ZINC000886589395 688280359 /nfs/dbraw/zinc/28/03/59/688280359.db2.gz UDPJTBADWJLWKX-AWEZNQCLSA-N 0 3 361.873 2.014 20 30 FEEDHN CSc1ccc(CNC(=O)Nc2ccnn2CCN(C)C)cc1C#N ZINC000888254841 688572329 /nfs/dbraw/zinc/57/23/29/688572329.db2.gz AQRKFNJDCYDEIV-UHFFFAOYSA-N 0 3 358.471 2.360 20 30 FEEDHN N#Cc1ccc(NC(=S)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1Cl ZINC000899663761 690401469 /nfs/dbraw/zinc/40/14/69/690401469.db2.gz GCOSOXJMTVHSSY-HOTGVXAUSA-N 0 3 364.902 2.439 20 30 FEEDHN Cc1nc(NC(=O)CCN2CCN(C(C)C)CC2)sc1SCC#N ZINC000900480981 690522031 /nfs/dbraw/zinc/52/20/31/690522031.db2.gz SMUHQTQFZPKWNK-UHFFFAOYSA-N 0 3 367.544 2.422 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C[C@]2(C)C1 ZINC000907554586 691518534 /nfs/dbraw/zinc/51/85/34/691518534.db2.gz NVFQFPYRGSFNDQ-DOMZBBRYSA-N 0 3 373.400 2.149 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000908437974 691678939 /nfs/dbraw/zinc/67/89/39/691678939.db2.gz WCSCKIAPVDWTBL-UHFFFAOYSA-N 0 3 350.875 2.331 20 30 FEEDHN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2NCCO[C@H]2C1 ZINC001164390805 718821008 /nfs/dbraw/zinc/82/10/08/718821008.db2.gz RGWPPWKFWWBZQR-MNOVXSKESA-N 0 3 363.195 2.372 20 30 FEEDHN C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164732061 720435695 /nfs/dbraw/zinc/43/56/95/720435695.db2.gz MWZSBYKIXZFSPI-RTBURBONSA-N 0 3 363.465 2.246 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(Cl)ncc4C#N)C[C@@H]3C2)cn1 ZINC001164771596 721082848 /nfs/dbraw/zinc/08/28/48/721082848.db2.gz SDUVWHIHUVYMOZ-ZBFHGGJFSA-N 0 3 356.861 2.298 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(Cl)ncc4C#N)C[C@H]3C2)cn1 ZINC001164771593 721083264 /nfs/dbraw/zinc/08/32/64/721083264.db2.gz SDUVWHIHUVYMOZ-GDBMZVCRSA-N 0 3 356.861 2.298 20 30 FEEDHN N#CCc1cncc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903031 721549164 /nfs/dbraw/zinc/54/91/64/721549164.db2.gz BVLPVOLUVBLLDF-AEFFLSMTSA-N 0 3 353.401 2.024 20 30 FEEDHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1C#N ZINC001164981569 722111214 /nfs/dbraw/zinc/11/12/14/722111214.db2.gz UNSHLMWLUDIQAT-QUCCMNQESA-N 0 3 363.465 2.384 20 30 FEEDHN COC(=O)c1ccc(CN(C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000027207695 539802027 /nfs/dbraw/zinc/80/20/27/539802027.db2.gz CONIROKCKMEBGE-IBGZPJMESA-N 0 3 368.433 2.411 20 30 FEEDHN N#CC1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000029160325 539844764 /nfs/dbraw/zinc/84/47/64/539844764.db2.gz FRVREKKOIPVNLJ-UHFFFAOYSA-N 0 3 354.498 2.394 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000042393353 540062873 /nfs/dbraw/zinc/06/28/73/540062873.db2.gz VVZZZWRPHMDHSR-OALUTQOASA-N 0 3 361.530 2.450 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000047633207 540321662 /nfs/dbraw/zinc/32/16/62/540321662.db2.gz WOPMDBOFRPYLEJ-QGZVFWFLSA-N 0 3 357.454 2.446 20 30 FEEDHN CCN(CC)C(=O)CN1CCCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000051708309 540441198 /nfs/dbraw/zinc/44/11/98/540441198.db2.gz RKSIVYROIWISNG-UHFFFAOYSA-N 0 3 372.513 2.203 20 30 FEEDHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000063727524 541182193 /nfs/dbraw/zinc/18/21/93/541182193.db2.gz KIBMOOKZADVTHD-UHFFFAOYSA-N 0 3 362.861 2.483 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)CNc2ccc(C#N)cc2)c1 ZINC000064725487 541215366 /nfs/dbraw/zinc/21/53/66/541215366.db2.gz MIBNZCYPQJGUNX-UHFFFAOYSA-N 0 3 352.438 2.227 20 30 FEEDHN CN(C)Cc1ccccc1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000066239849 541293774 /nfs/dbraw/zinc/29/37/74/541293774.db2.gz UNLLFIHZSLOBNH-UHFFFAOYSA-N 0 3 374.448 2.318 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066619805 541347657 /nfs/dbraw/zinc/34/76/57/541347657.db2.gz WAGJQHGRNDWREN-SFHVURJKSA-N 0 3 356.470 2.314 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)NCCN2CCC(C)CC2)c1 ZINC000067497539 541472140 /nfs/dbraw/zinc/47/21/40/541472140.db2.gz WJNHXPYRQFIJEF-UHFFFAOYSA-N 0 3 359.470 2.428 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)CC1 ZINC000068919909 541641328 /nfs/dbraw/zinc/64/13/28/541641328.db2.gz FAEYWPVJOFNDGK-UHFFFAOYSA-N 0 3 369.465 2.357 20 30 FEEDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000071008679 541757434 /nfs/dbraw/zinc/75/74/34/541757434.db2.gz QPCFWOBAXYWVDQ-INIZCTEOSA-N 0 3 372.469 2.298 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000071072644 541762600 /nfs/dbraw/zinc/76/26/00/541762600.db2.gz LVTYEXFQPVGACS-QGZVFWFLSA-N 0 3 353.422 2.365 20 30 FEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccccc1SCCC#N)C2 ZINC000072639394 541843458 /nfs/dbraw/zinc/84/34/58/541843458.db2.gz BXUUQKNNKYGFBU-LSDHHAIUSA-N 0 3 372.494 2.326 20 30 FEEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000072776496 541864089 /nfs/dbraw/zinc/86/40/89/541864089.db2.gz AUBNHCIYIRECTM-CRAIPNDOSA-N 0 3 373.501 2.404 20 30 FEEDHN COc1ccc(N2CCC(N(C)CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000072801316 541868656 /nfs/dbraw/zinc/86/86/56/541868656.db2.gz BVAHLTIPVPITOX-NRFANRHFSA-N 0 3 370.497 2.404 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)CCN(C)C1CC1 ZINC000545329695 541938730 /nfs/dbraw/zinc/93/87/30/541938730.db2.gz PWFKJFSUHIGNIY-UHFFFAOYSA-N 0 3 353.430 2.005 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cncnc2)cc1 ZINC000073411567 541950930 /nfs/dbraw/zinc/95/09/30/541950930.db2.gz UNZAIWIXNGAFAR-ZIAGYGMSSA-N 0 3 353.426 2.195 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000077861905 542428145 /nfs/dbraw/zinc/42/81/45/542428145.db2.gz SVJKKCMSZCOZBG-UHFFFAOYSA-N 0 3 372.513 2.187 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000079219374 542506552 /nfs/dbraw/zinc/50/65/52/542506552.db2.gz CWKORPLAAFFOFQ-KRWDZBQOSA-N 0 3 357.502 2.125 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)N(C)C[C@H](C)C#N)CC1 ZINC000079219375 542506723 /nfs/dbraw/zinc/50/67/23/542506723.db2.gz CWKORPLAAFFOFQ-QGZVFWFLSA-N 0 3 357.502 2.125 20 30 FEEDHN C=C(C)CN(CC)C(=O)CN(C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000080968058 542619778 /nfs/dbraw/zinc/61/97/78/542619778.db2.gz HWYLRVDKXQLDII-UHFFFAOYSA-N 0 3 359.518 2.419 20 30 FEEDHN COCCCN1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000081087941 542632043 /nfs/dbraw/zinc/63/20/43/542632043.db2.gz ACNMODIDPIXSEW-IBGZPJMESA-N 0 3 372.513 2.366 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000098026244 543017981 /nfs/dbraw/zinc/01/79/81/543017981.db2.gz BYECHJHRIITHMF-KRWDZBQOSA-N 0 3 370.501 2.049 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000103466839 543109047 /nfs/dbraw/zinc/10/90/47/543109047.db2.gz PVEQTGGSAXFNTL-CQSZACIVSA-N 0 3 370.482 2.366 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000106037240 543186298 /nfs/dbraw/zinc/18/62/98/543186298.db2.gz HICHEQARIAQHNN-UHFFFAOYSA-N 0 3 363.414 2.382 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000106034084 543186384 /nfs/dbraw/zinc/18/63/84/543186384.db2.gz NBLBLSXZRAIOSF-UHFFFAOYSA-N 0 3 360.845 2.307 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2nncn2-c2ccccc2)CC1 ZINC000106264457 543221580 /nfs/dbraw/zinc/22/15/80/543221580.db2.gz IOQGDRADEFAPSF-UHFFFAOYSA-N 0 3 354.458 2.107 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000106329699 543223476 /nfs/dbraw/zinc/22/34/76/543223476.db2.gz GFFQIAWODSHPEB-UHFFFAOYSA-N 0 3 358.486 2.114 20 30 FEEDHN CC(C)(C)OC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106870339 543251676 /nfs/dbraw/zinc/25/16/76/543251676.db2.gz XYEVVMHKRLBWAD-INIZCTEOSA-N 0 3 358.442 2.486 20 30 FEEDHN C#CCN1CCC(C(=O)NCC2CCN(Cc3csc(C)n3)CC2)CC1 ZINC000111042272 543379497 /nfs/dbraw/zinc/37/94/97/543379497.db2.gz UIJKAJCURNJZRA-UHFFFAOYSA-N 0 3 374.554 2.125 20 30 FEEDHN C=CC1CCN(CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CC1 ZINC000111258485 543390241 /nfs/dbraw/zinc/39/02/41/543390241.db2.gz YZCMJKIVBZZGLR-QGZVFWFLSA-N 0 3 361.530 2.382 20 30 FEEDHN CCN1CCN([C@@H](C)CNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000111661034 543410850 /nfs/dbraw/zinc/41/08/50/543410850.db2.gz NNZAHGBBUORVQR-SFHVURJKSA-N 0 3 372.513 2.250 20 30 FEEDHN C[C@@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)N(C)CCC#N ZINC000112528647 543450635 /nfs/dbraw/zinc/45/06/35/543450635.db2.gz YONCGRWAPIHHHV-ZIAGYGMSSA-N 0 3 357.458 2.382 20 30 FEEDHN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000117076066 543623283 /nfs/dbraw/zinc/62/32/83/543623283.db2.gz RLONXUIQBQFNBA-INIZCTEOSA-N 0 3 358.486 2.156 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000118019733 543643170 /nfs/dbraw/zinc/64/31/70/543643170.db2.gz SLURNSAZLCOIAG-CYBMUJFWSA-N 0 3 368.384 2.392 20 30 FEEDHN CCN(CC)CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000118095184 543644277 /nfs/dbraw/zinc/64/42/77/543644277.db2.gz HDZIQCBADORENP-AWEZNQCLSA-N 0 3 362.499 2.335 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000118100863 543644338 /nfs/dbraw/zinc/64/43/38/543644338.db2.gz ICSFLRSNPMUGLJ-CJNGLKHVSA-N 0 3 374.510 2.476 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000118096417 543644523 /nfs/dbraw/zinc/64/45/23/543644523.db2.gz HZKDGDJXPYYSOH-CQSZACIVSA-N 0 3 360.483 2.231 20 30 FEEDHN CC(C)N(C)CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000118122952 543646327 /nfs/dbraw/zinc/64/63/27/543646327.db2.gz RVRKDZDDRZLOHZ-CQSZACIVSA-N 0 3 362.499 2.333 20 30 FEEDHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000121867701 543700245 /nfs/dbraw/zinc/70/02/45/543700245.db2.gz WVXIFPSMHDUPSN-QGZVFWFLSA-N 0 3 374.485 2.400 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](Cn2ccnn2)C1 ZINC000119449492 543668153 /nfs/dbraw/zinc/66/81/53/543668153.db2.gz LLRWGLOJBZNXCF-HKUYNNGSSA-N 0 3 356.470 2.159 20 30 FEEDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000120458717 543680433 /nfs/dbraw/zinc/68/04/33/543680433.db2.gz YGASEBXMVBWUTR-YOEHRIQHSA-N 0 3 356.470 2.367 20 30 FEEDHN CCc1noc(C)c1CON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000123041734 543739295 /nfs/dbraw/zinc/73/92/95/543739295.db2.gz JVWKBVRACLZQKK-UHFFFAOYSA-N 0 3 372.469 2.339 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000122263657 543705176 /nfs/dbraw/zinc/70/51/76/543705176.db2.gz LIELXHIUCZIDEF-AWEZNQCLSA-N 0 3 353.403 2.467 20 30 FEEDHN N#Cc1ccc2ncc(CNC[C@@H](c3ccccc3)N3CCOCC3)n2c1 ZINC000123216707 543749351 /nfs/dbraw/zinc/74/93/51/543749351.db2.gz WOAHMQASRXUKAM-FQEVSTJZSA-N 0 3 361.449 2.369 20 30 FEEDHN N#Cc1ccccc1N1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000123962292 543793284 /nfs/dbraw/zinc/79/32/84/543793284.db2.gz KWPJDZYAOPCPGL-HXUWFJFHSA-N 0 3 352.482 2.471 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1scnc1CC)C(C)C ZINC000128107204 544032737 /nfs/dbraw/zinc/03/27/37/544032737.db2.gz CYUNRUYAPIIRLS-HNNXBMFYSA-N 0 3 364.515 2.459 20 30 FEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000128489492 544055700 /nfs/dbraw/zinc/05/57/00/544055700.db2.gz AMUPJZRKJFYBJK-INIZCTEOSA-N 0 3 360.433 2.263 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)c1C ZINC000130699971 544161503 /nfs/dbraw/zinc/16/15/03/544161503.db2.gz UOPHOEYOGVJCGJ-IAGOWNOFSA-N 0 3 356.470 2.184 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000134895051 544325772 /nfs/dbraw/zinc/32/57/72/544325772.db2.gz XLIZXLZUVVJZCA-XLIONFOSSA-N 0 3 373.522 2.281 20 30 FEEDHN C=C(C)COCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000135022628 544331541 /nfs/dbraw/zinc/33/15/41/544331541.db2.gz FLFBCFPUCXWTQW-IAGOWNOFSA-N 0 3 353.507 2.110 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC000135354177 544343493 /nfs/dbraw/zinc/34/34/93/544343493.db2.gz VHRFUACHXBZNAI-CQSZACIVSA-N 0 3 362.440 2.305 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)NCCCN2CCC(O)CC2)c1 ZINC000136122379 544367123 /nfs/dbraw/zinc/36/71/23/544367123.db2.gz AGLZLLDYERVBBH-UHFFFAOYSA-N 0 3 359.470 2.070 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)N(C)Cc1ccccc1 ZINC000136245148 544369748 /nfs/dbraw/zinc/36/97/48/544369748.db2.gz MJZMDYXQTOQFRP-AWEZNQCLSA-N 0 3 368.412 2.273 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c(F)c1 ZINC000136464716 544373610 /nfs/dbraw/zinc/37/36/10/544373610.db2.gz VORUPENLULVFRI-OAHLLOKOSA-N 0 3 358.417 2.017 20 30 FEEDHN CN(C(=O)c1ccc(NC(=O)C2(C#N)CCC2)cc1)[C@H]1CCCN(C)C1 ZINC000151782150 544578953 /nfs/dbraw/zinc/57/89/53/544578953.db2.gz HKGJBSGBCYETGW-KRWDZBQOSA-N 0 3 354.454 2.485 20 30 FEEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000152573750 544669509 /nfs/dbraw/zinc/66/95/09/544669509.db2.gz KDFXOWJGPOTKAZ-MRXNPFEDSA-N 0 3 360.376 2.313 20 30 FEEDHN CN(CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCSC1 ZINC000153777502 544821485 /nfs/dbraw/zinc/82/14/85/544821485.db2.gz RJPNHDBPEPEVQA-LJQANCHMSA-N 0 3 372.538 2.030 20 30 FEEDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155208197 545002204 /nfs/dbraw/zinc/00/22/04/545002204.db2.gz OCHXMFOMOOWYRG-CYBMUJFWSA-N 0 3 372.288 2.035 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(C(C)(C)C)nn1 ZINC000190473732 328209951 /nfs/dbraw/zinc/20/99/51/328209951.db2.gz WQFKKUMOEPHEFU-UHFFFAOYSA-N 0 3 354.458 2.109 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000190480376 328210322 /nfs/dbraw/zinc/21/03/22/328210322.db2.gz VKTSOPAVCGLXOV-MRXNPFEDSA-N 0 3 371.412 2.375 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000191253813 328256754 /nfs/dbraw/zinc/25/67/54/328256754.db2.gz FWNMKYLKVLTHIF-SCLBCKFNSA-N 0 3 368.412 2.443 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000079292992 325086121 /nfs/dbraw/zinc/08/61/21/325086121.db2.gz YZIAEDHSJNQDQM-MRXNPFEDSA-N 0 3 373.476 2.403 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101788566 325480928 /nfs/dbraw/zinc/48/09/28/325480928.db2.gz IIWVAJVFIZTURJ-INIZCTEOSA-N 0 3 373.476 2.403 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)nnn2C ZINC000104338134 325536722 /nfs/dbraw/zinc/53/67/22/325536722.db2.gz OWUUCHDUKUVNOV-UHFFFAOYSA-N 0 3 362.437 2.044 20 30 FEEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000120433602 326258113 /nfs/dbraw/zinc/25/81/13/326258113.db2.gz FXGVJBMCMKLDFV-ZDUSSCGKSA-N 0 3 353.875 2.318 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@@H]21 ZINC000122320220 326392191 /nfs/dbraw/zinc/39/21/91/326392191.db2.gz RYXCEFQYGVUDKL-LRDDRELGSA-N 0 3 353.875 2.316 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000129264109 326537511 /nfs/dbraw/zinc/53/75/11/326537511.db2.gz BFTUILBIUHOIRY-QGZVFWFLSA-N 0 3 353.422 2.420 20 30 FEEDHN CN(C)Cc1cccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000156167365 326820004 /nfs/dbraw/zinc/82/00/04/326820004.db2.gz TUPVOQQVQOAWKC-UHFFFAOYSA-N 0 3 363.465 2.414 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cnc4cnccn34)C2)c(F)c1 ZINC000156804807 326844570 /nfs/dbraw/zinc/84/45/70/326844570.db2.gz VEROVRUUSHIORG-OAHLLOKOSA-N 0 3 350.401 2.499 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000158333506 326892574 /nfs/dbraw/zinc/89/25/74/326892574.db2.gz WEPCVMRGPQUMCF-PKOBYXMFSA-N 0 3 371.481 2.429 20 30 FEEDHN C[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)CN1CCN(C)CC1 ZINC000171149487 327120918 /nfs/dbraw/zinc/12/09/18/327120918.db2.gz ABDUNMIVPQEYPJ-HNNXBMFYSA-N 0 3 360.506 2.120 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000171697164 327155804 /nfs/dbraw/zinc/15/58/04/327155804.db2.gz FCEBXAIYGJPXPI-QGZVFWFLSA-N 0 3 354.454 2.282 20 30 FEEDHN CN1CCN([C@H]2CCCCN(Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000174885028 327357926 /nfs/dbraw/zinc/35/79/26/327357926.db2.gz LPZUZTNQKGXDIM-IBGZPJMESA-N 0 3 351.498 2.413 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(c2ccc(C#N)nc2)CC1 ZINC000267326949 329315251 /nfs/dbraw/zinc/31/52/51/329315251.db2.gz BBMNZLMWELBPBQ-UHFFFAOYSA-N 0 3 351.454 2.220 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000267551950 329337593 /nfs/dbraw/zinc/33/75/93/329337593.db2.gz DFZSNYQDYHPGMN-ZACQAIPSSA-N 0 3 359.470 2.331 20 30 FEEDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272724439 329807873 /nfs/dbraw/zinc/80/78/73/329807873.db2.gz FXIVKLJNKGTOAU-SFHVURJKSA-N 0 3 371.485 2.035 20 30 FEEDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000367214066 330231154 /nfs/dbraw/zinc/23/11/54/330231154.db2.gz ZDYUHUYWIMBXAP-INIZCTEOSA-N 0 3 360.889 2.311 20 30 FEEDHN N#Cc1ccc(Cl)cc1NC(=O)CNC1(CO)Cc2ccccc2C1 ZINC000369329949 330240406 /nfs/dbraw/zinc/24/04/06/330240406.db2.gz OZVLCWWGTTWQJX-UHFFFAOYSA-N 0 3 355.825 2.270 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371456142 330243848 /nfs/dbraw/zinc/24/38/48/330243848.db2.gz FSMFZMWSQUKCNF-QZTJIDSGSA-N 0 3 370.453 2.267 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1C#N ZINC000157689234 545770686 /nfs/dbraw/zinc/77/06/86/545770686.db2.gz DLYRMNAMCJHKOU-MRXNPFEDSA-N 0 3 373.501 2.350 20 30 FEEDHN Cc1cc(C[C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[nH]n1 ZINC000158260242 545840478 /nfs/dbraw/zinc/84/04/78/545840478.db2.gz JGZJSJSXXZYDQU-HNNXBMFYSA-N 0 3 368.485 2.294 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000159231543 545934473 /nfs/dbraw/zinc/93/44/73/545934473.db2.gz LVCCANHAJXXCKY-QAPCUYQASA-N 0 3 361.511 2.424 20 30 FEEDHN C=CCc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)cc(OC)c1OC ZINC000160197797 546016475 /nfs/dbraw/zinc/01/64/75/546016475.db2.gz ZRQFYTSHZBBPNS-QGZVFWFLSA-N 0 3 362.470 2.009 20 30 FEEDHN CCc1cc(=O)[nH]c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000160627872 546057613 /nfs/dbraw/zinc/05/76/13/546057613.db2.gz ZLBGBCFEXHRUTC-UHFFFAOYSA-N 0 3 351.454 2.324 20 30 FEEDHN C#CCOCCC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000160709211 546064970 /nfs/dbraw/zinc/06/49/70/546064970.db2.gz PQUBACNIPIPFNO-SFHVURJKSA-N 0 3 352.438 2.309 20 30 FEEDHN N#Cc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)cc1Cl ZINC000161325890 546119765 /nfs/dbraw/zinc/11/97/65/546119765.db2.gz CSEUGLRMKLFOPG-UHFFFAOYSA-N 0 3 355.829 2.367 20 30 FEEDHN C=CCN1CCC(NC(=O)CNC(=O)c2ccc(OCCCC)cc2)CC1 ZINC000171566258 546214568 /nfs/dbraw/zinc/21/45/68/546214568.db2.gz PPVFCUDOPQVBFT-UHFFFAOYSA-N 0 3 373.497 2.362 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C(CC)CC)N2CCOCC2)CC1 ZINC000171707870 546219618 /nfs/dbraw/zinc/21/96/18/546219618.db2.gz OXOCVXTWLRFDBS-IBGZPJMESA-N 0 3 366.550 2.073 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 ZINC000171719874 546220574 /nfs/dbraw/zinc/22/05/74/546220574.db2.gz VQWJTAAKFBOAFH-CYBMUJFWSA-N 0 3 363.408 2.084 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CSCN2C(=O)/C(C)=C/CC)CC1 ZINC000171728277 546221940 /nfs/dbraw/zinc/22/19/40/546221940.db2.gz JYMBUCNPAZXOGU-GFGNLIMNSA-N 0 3 365.543 2.401 20 30 FEEDHN C=CCN1CCC(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000171722114 546222030 /nfs/dbraw/zinc/22/20/30/546222030.db2.gz HDUTWNOCLABLPT-UHFFFAOYSA-N 0 3 354.454 2.012 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 ZINC000171720844 546222206 /nfs/dbraw/zinc/22/22/06/546222206.db2.gz MSUASZKFRORDET-QGZVFWFLSA-N 0 3 355.482 2.423 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000171722604 546222401 /nfs/dbraw/zinc/22/24/01/546222401.db2.gz OJDUNPSXOTWKMU-UHFFFAOYSA-N 0 3 363.414 2.382 20 30 FEEDHN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC#N)cc1 ZINC000174045077 546289983 /nfs/dbraw/zinc/28/99/83/546289983.db2.gz OZTHLSUPRDFOCR-RHSMWYFYSA-N 0 3 353.426 2.169 20 30 FEEDHN CS(=O)(=O)CC1(CNCc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000174942033 546305028 /nfs/dbraw/zinc/30/50/28/546305028.db2.gz AMNNHWMYAGLKEA-UHFFFAOYSA-N 0 3 372.494 2.378 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)c1 ZINC000176112491 546408465 /nfs/dbraw/zinc/40/84/65/546408465.db2.gz UDZCXNALROZYMT-UHFFFAOYSA-N 0 3 355.463 2.258 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000176837323 546495568 /nfs/dbraw/zinc/49/55/68/546495568.db2.gz OYUGQTIYALVJKN-QAPCUYQASA-N 0 3 373.476 2.258 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)CC1 ZINC000177055898 546533016 /nfs/dbraw/zinc/53/30/16/546533016.db2.gz MACYOILRXKUZGS-UHFFFAOYSA-N 0 3 364.877 2.111 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1 ZINC000481037383 561223578 /nfs/dbraw/zinc/22/35/78/561223578.db2.gz PFOWNCFQYUUHII-DGCLKSJQSA-N 0 3 353.469 2.342 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000178903934 546871243 /nfs/dbraw/zinc/87/12/43/546871243.db2.gz OJAHQSMWPSEKOE-AWEZNQCLSA-N 0 3 359.470 2.468 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000481829288 561243517 /nfs/dbraw/zinc/24/35/17/561243517.db2.gz JCWAPORYRUBXNH-RBUKOAKNSA-N 0 3 371.525 2.480 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179508307 546968627 /nfs/dbraw/zinc/96/86/27/546968627.db2.gz JBPCNYVDLRBOIT-IRXDYDNUSA-N 0 3 367.453 2.173 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000180474008 547113737 /nfs/dbraw/zinc/11/37/37/547113737.db2.gz SULYHXKPADJPKK-UHFFFAOYSA-N 0 3 367.453 2.172 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000482872270 561261676 /nfs/dbraw/zinc/26/16/76/561261676.db2.gz VKBDCEDYQMJGSE-MAUKXSAKSA-N 0 3 371.485 2.057 20 30 FEEDHN Cc1cccc(NC(=O)C[C@@H](C)NCCNC(=O)C2N=CC=CC2=O)c1C ZINC000180871443 547198506 /nfs/dbraw/zinc/19/85/06/547198506.db2.gz KOVSIHLBHCHMRR-BVGIJJTOSA-N 0 3 370.453 2.137 20 30 FEEDHN CNS(=O)(=O)c1ccc([C@@H](C)NCCOc2ccccc2C#N)cc1 ZINC000181052915 547240312 /nfs/dbraw/zinc/24/03/12/547240312.db2.gz ZVBZJWSTFOEKSD-CQSZACIVSA-N 0 3 359.451 2.196 20 30 FEEDHN N#Cc1cc(Br)ccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000181523749 547329328 /nfs/dbraw/zinc/32/93/28/547329328.db2.gz YDIRWDYAGGCZMI-ZDUSSCGKSA-N 0 3 350.260 2.479 20 30 FEEDHN C=CCCO[C@H](C)C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000483497622 561278454 /nfs/dbraw/zinc/27/84/54/561278454.db2.gz UVIHFRQYXJOCDZ-NVXWUHKLSA-N 0 3 359.470 2.304 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(CO)CCCC2)cc1 ZINC000483599757 561280507 /nfs/dbraw/zinc/28/05/07/561280507.db2.gz GNAXQOQWWQCDFU-ZDUSSCGKSA-N 0 3 365.455 2.047 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc2c(cnn2C)c1OC)C(C)C ZINC000182255828 547462724 /nfs/dbraw/zinc/46/27/24/547462724.db2.gz JOLYDRZSANFJTC-QGZVFWFLSA-N 0 3 371.485 2.405 20 30 FEEDHN N#Cc1cc(F)c(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c(F)c1 ZINC000183426889 547656647 /nfs/dbraw/zinc/65/66/47/547656647.db2.gz HUBYLVDSLZGVFV-MRXNPFEDSA-N 0 3 371.387 2.333 20 30 FEEDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000484654821 561302510 /nfs/dbraw/zinc/30/25/10/561302510.db2.gz SAVLGKNDVDSRHJ-RWBIUQBRSA-N 0 3 351.491 2.089 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184328782 547808383 /nfs/dbraw/zinc/80/83/83/547808383.db2.gz NABUWOTYGRSEFG-PXNSSMCTSA-N 0 3 372.513 2.104 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCC[C@H](C)N1CCCCC1 ZINC000185914188 548058201 /nfs/dbraw/zinc/05/82/01/548058201.db2.gz YGQGFMAYMBIFIQ-AWEZNQCLSA-N 0 3 351.472 2.110 20 30 FEEDHN CC(C)N1CCN(CCCN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000191575045 548348379 /nfs/dbraw/zinc/34/83/79/548348379.db2.gz FSTSPTJMQBOCAJ-JOCHJYFZSA-N 0 3 369.557 2.285 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2c1OCO2 ZINC000486926370 561359724 /nfs/dbraw/zinc/35/97/24/561359724.db2.gz ODKWHGOGNOXJFH-UHFFFAOYSA-N 0 3 351.406 2.491 20 30 FEEDHN Cc1cc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)ccc1C#N ZINC000488226939 561386523 /nfs/dbraw/zinc/38/65/23/561386523.db2.gz DLUHAQCUISANCY-UHFFFAOYSA-N 0 3 354.498 2.243 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccnc2ccnn21)C(C)C ZINC000488275282 561387252 /nfs/dbraw/zinc/38/72/52/561387252.db2.gz YBSDNIWZUDJQOE-QGZVFWFLSA-N 0 3 356.474 2.227 20 30 FEEDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000246484086 549142506 /nfs/dbraw/zinc/14/25/06/549142506.db2.gz BANWSNUAZPTAGN-WFASDCNBSA-N 0 3 353.875 2.316 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000247012302 549264308 /nfs/dbraw/zinc/26/43/08/549264308.db2.gz XLIZXLZUVVJZCA-PXNSSMCTSA-N 0 3 373.522 2.281 20 30 FEEDHN C=CCCCS(=O)(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000489215039 561405792 /nfs/dbraw/zinc/40/57/92/561405792.db2.gz HOBDERJGNJQBPF-UHFFFAOYSA-N 0 3 365.543 2.032 20 30 FEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000248691967 549484945 /nfs/dbraw/zinc/48/49/45/549484945.db2.gz ZCLOGPYCKKKTMX-GJZGRUSLSA-N 0 3 373.501 2.290 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000263642504 549911836 /nfs/dbraw/zinc/91/18/36/549911836.db2.gz ADZYLMDLOXLFQC-LJQANCHMSA-N 0 3 372.513 2.327 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000264355148 549994250 /nfs/dbraw/zinc/99/42/50/549994250.db2.gz DSHHJEFSMSULQY-UHFFFAOYSA-N 0 3 367.497 2.430 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000264346133 549994749 /nfs/dbraw/zinc/99/47/49/549994749.db2.gz ADIKDCXYAQJDTO-UHFFFAOYSA-N 0 3 363.458 2.162 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCOc2cccc(NC(C)=O)c2)CC1 ZINC000264418564 549996100 /nfs/dbraw/zinc/99/61/00/549996100.db2.gz WCSVCHFFMRKSMX-UHFFFAOYSA-N 0 3 374.485 2.364 20 30 FEEDHN C=CCN1CCC(NC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000264490419 549996516 /nfs/dbraw/zinc/99/65/16/549996516.db2.gz NSRWMZFVZXJVTI-UHFFFAOYSA-N 0 3 353.264 2.430 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)COc2cccc(N3CCCC3=O)c2)CC1 ZINC000264490484 549996643 /nfs/dbraw/zinc/99/66/43/549996643.db2.gz NZUOWTISTJNTFV-UHFFFAOYSA-N 0 3 371.481 2.349 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)N(C)C ZINC000264515738 549997283 /nfs/dbraw/zinc/99/72/83/549997283.db2.gz AAWCMYWOLKJPID-CYBMUJFWSA-N 0 3 362.499 2.476 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000265609845 550012154 /nfs/dbraw/zinc/01/21/54/550012154.db2.gz GUEZKCPSBHWJIR-UHFFFAOYSA-N 0 3 370.497 2.360 20 30 FEEDHN C=CCN(CCc1ccco1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000491331307 561444725 /nfs/dbraw/zinc/44/47/25/561444725.db2.gz XNHBUFCGFSCEOE-KRWDZBQOSA-N 0 3 369.421 2.188 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000269377741 550188014 /nfs/dbraw/zinc/18/80/14/550188014.db2.gz OKBFZGUTWDAGMR-CYBMUJFWSA-N 0 3 367.467 2.247 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269682778 550216472 /nfs/dbraw/zinc/21/64/72/550216472.db2.gz NBMBZMKFBSPYAT-KRWDZBQOSA-N 0 3 369.513 2.120 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1N(C)C ZINC000270639249 550291539 /nfs/dbraw/zinc/29/15/39/550291539.db2.gz ITWQELBXBHOJRA-HUUCEWRRSA-N 0 3 352.891 2.128 20 30 FEEDHN CS[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@H]1N(C)C ZINC000271145756 550344898 /nfs/dbraw/zinc/34/48/98/550344898.db2.gz PQMBTIACEYHKKR-IAGOWNOFSA-N 0 3 374.510 2.171 20 30 FEEDHN C#CCCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000271995574 550415053 /nfs/dbraw/zinc/41/50/53/550415053.db2.gz FXLMABJIDDDBIJ-UHFFFAOYSA-N 0 3 370.522 2.468 20 30 FEEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 ZINC000272131149 550424512 /nfs/dbraw/zinc/42/45/12/550424512.db2.gz SIZHSJJSTGJUMT-AWEZNQCLSA-N 0 3 359.451 2.325 20 30 FEEDHN O=C(NCC#Cc1ccccc1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272747769 550468509 /nfs/dbraw/zinc/46/85/09/550468509.db2.gz ICCVKWDICVAABT-NRFANRHFSA-N 0 3 363.461 2.104 20 30 FEEDHN COC(=O)c1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000272755260 550469026 /nfs/dbraw/zinc/46/90/26/550469026.db2.gz OXAFPHJSEOTYDH-UHFFFAOYSA-N 0 3 352.438 2.381 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000494487315 561470651 /nfs/dbraw/zinc/47/06/51/561470651.db2.gz QLAUWXMQQDDHBS-MJGOQNOKSA-N 0 3 374.485 2.109 20 30 FEEDHN N#Cc1ccc(CN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000274351516 550533795 /nfs/dbraw/zinc/53/37/95/550533795.db2.gz SKNCUHRVTOIERV-OAQYLSRUSA-N 0 3 360.417 2.255 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000276057390 550576285 /nfs/dbraw/zinc/57/62/85/550576285.db2.gz KKFVUTQYOMIAQB-HNNXBMFYSA-N 0 3 357.454 2.347 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000278567800 550799902 /nfs/dbraw/zinc/79/99/02/550799902.db2.gz IXJYWJSMBLSFCI-XJKCOSOUSA-N 0 3 365.455 2.045 20 30 FEEDHN CCn1nccc1C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000278763471 550819542 /nfs/dbraw/zinc/81/95/42/550819542.db2.gz BSCZGJUQLCTTMG-SFHVURJKSA-N 0 3 354.454 2.394 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1CCC(=O)Nc1ccccc1C#N ZINC000278806885 550823951 /nfs/dbraw/zinc/82/39/51/550823951.db2.gz ZQLYFUDNOPBWFL-MRXNPFEDSA-N 0 3 356.470 2.072 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccccc2)N(C)C)n1 ZINC000279166463 550860868 /nfs/dbraw/zinc/86/08/68/550860868.db2.gz FGFHGGRDFHQAOA-LJQANCHMSA-N 0 3 353.470 2.351 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000280158146 550966355 /nfs/dbraw/zinc/96/63/55/550966355.db2.gz BDZOJOLBDRDHFJ-PMACEKPBSA-N 0 3 360.417 2.453 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000280162933 550966880 /nfs/dbraw/zinc/96/68/80/550966880.db2.gz IGAYHVBYFKJMJH-XUVXKRRUSA-N 0 3 358.482 2.241 20 30 FEEDHN C[S@](=O)C1(CNCc2cn(CCC#N)nc2-c2ccncc2)CCC1 ZINC000280528918 551004494 /nfs/dbraw/zinc/00/44/94/551004494.db2.gz BQJVECWQNFPDSC-VWLOTQADSA-N 0 3 357.483 2.250 20 30 FEEDHN CCC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CCOC ZINC000281644684 551124682 /nfs/dbraw/zinc/12/46/82/551124682.db2.gz RIGAZHUZNKDLMC-WOJBJXKFSA-N 0 3 368.481 2.200 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1OCCN(C)C ZINC000281973176 551164500 /nfs/dbraw/zinc/16/45/00/551164500.db2.gz ZJHXPGCYCHMYHY-HKUYNNGSSA-N 0 3 361.486 2.407 20 30 FEEDHN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000283663304 551405350 /nfs/dbraw/zinc/40/53/50/551405350.db2.gz QNTBLASQMBPZOY-KRWDZBQOSA-N 0 3 368.485 2.075 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000498368746 561523494 /nfs/dbraw/zinc/52/34/94/561523494.db2.gz CGSHSJLQLFZXFN-MSOLQXFVSA-N 0 3 351.454 2.468 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CCN(C)CC1 ZINC000284663339 551602268 /nfs/dbraw/zinc/60/22/68/551602268.db2.gz CTHYLCVYSNKAEG-UHFFFAOYSA-N 0 3 355.891 2.127 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000285277712 551730888 /nfs/dbraw/zinc/73/08/88/551730888.db2.gz ZTOOYEOVKFUYQZ-IRXDYDNUSA-N 0 3 361.486 2.073 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](c2ccccc2C)C2CC2)CC1 ZINC000286468616 551889174 /nfs/dbraw/zinc/88/91/74/551889174.db2.gz IMXDOCXSQOVCLS-IBGZPJMESA-N 0 3 355.482 2.329 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)CC1 ZINC000286640807 551909326 /nfs/dbraw/zinc/90/93/26/551909326.db2.gz MZHQIYRSFRGDLQ-PKOBYXMFSA-N 0 3 369.509 2.466 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC000286795329 551926696 /nfs/dbraw/zinc/92/66/96/551926696.db2.gz UOFMZIASYMWQRF-CYBMUJFWSA-N 0 3 365.424 2.251 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)Cc2ccc(F)cc2F)CC1 ZINC000286867017 551934702 /nfs/dbraw/zinc/93/47/02/551934702.db2.gz ZZXNHUHDJZXWST-UHFFFAOYSA-N 0 3 365.424 2.080 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000286887879 551936879 /nfs/dbraw/zinc/93/68/79/551936879.db2.gz DSBZEXFLQYWEHH-PZJWPPBQSA-N 0 3 370.541 2.194 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(CCCOC)CC1 ZINC000287388898 551997451 /nfs/dbraw/zinc/99/74/51/551997451.db2.gz JXZJFGKHURBROL-FQEVSTJZSA-N 0 3 357.498 2.421 20 30 FEEDHN N#CC1(C(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CCC1 ZINC000287604682 552024423 /nfs/dbraw/zinc/02/44/23/552024423.db2.gz YLMPCBWGQPMEGM-LJQANCHMSA-N 0 3 352.482 2.099 20 30 FEEDHN N#Cc1ccnc(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)c1 ZINC000288569727 552176674 /nfs/dbraw/zinc/17/66/74/552176674.db2.gz NNOHPEVYPJEGCH-UHFFFAOYSA-N 0 3 364.449 2.400 20 30 FEEDHN C[C@@H]1CCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000499915653 561561418 /nfs/dbraw/zinc/56/14/18/561561418.db2.gz PHOYLPPEKPUKTG-APWZRJJASA-N 0 3 370.497 2.001 20 30 FEEDHN C#C[C@@H](NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)C(C)(C)C ZINC000289126191 552269970 /nfs/dbraw/zinc/26/99/70/552269970.db2.gz IYUIBRRVXGSDJD-LJQANCHMSA-N 0 3 357.498 2.490 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000500213090 561567945 /nfs/dbraw/zinc/56/79/45/561567945.db2.gz RVPACFCMIJYTDD-NRFANRHFSA-N 0 3 370.497 2.277 20 30 FEEDHN C[NH+](C)CCCN(CCC#N)C(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000500468132 561574067 /nfs/dbraw/zinc/57/40/67/561574067.db2.gz AVXFRSTZVXMAIR-UHFFFAOYSA-N 0 3 362.380 2.114 20 30 FEEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000289599348 552347463 /nfs/dbraw/zinc/34/74/63/552347463.db2.gz IOAUBZXNFQJPOB-MRXNPFEDSA-N 0 3 368.485 2.216 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000289721907 552367952 /nfs/dbraw/zinc/36/79/52/552367952.db2.gz PIHSNVYSUJJOMY-QGZVFWFLSA-N 0 3 355.482 2.010 20 30 FEEDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)C1 ZINC000292715817 552752035 /nfs/dbraw/zinc/75/20/35/552752035.db2.gz FKZZUCHAIMGDNO-INIZCTEOSA-N 0 3 353.875 2.318 20 30 FEEDHN Cc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1-n1cncn1 ZINC000292781225 552758007 /nfs/dbraw/zinc/75/80/07/552758007.db2.gz LKRLZTAJTXEQEW-SFHVURJKSA-N 0 3 360.421 2.496 20 30 FEEDHN CC(C)(CO)[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000293037569 552782955 /nfs/dbraw/zinc/78/29/55/552782955.db2.gz LTDWMAGCXFJGHE-SFHVURJKSA-N 0 3 367.453 2.069 20 30 FEEDHN CCN(Cc1cc(C#N)n(C)c1)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000293722316 552850388 /nfs/dbraw/zinc/85/03/88/552850388.db2.gz UBKPYSCXCZUWKP-HXUWFJFHSA-N 0 3 371.481 2.347 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C ZINC000293903559 552866447 /nfs/dbraw/zinc/86/64/47/552866447.db2.gz FMKQPXRFURJKFA-UHFFFAOYSA-N 0 3 369.469 2.048 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000293987813 552873106 /nfs/dbraw/zinc/87/31/06/552873106.db2.gz NLWVDOTZANAQPJ-UHFFFAOYSA-N 0 3 369.490 2.363 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCN(C2CC2)C1 ZINC000295260505 552977845 /nfs/dbraw/zinc/97/78/45/552977845.db2.gz FZBCHMLQSKTCJN-RDJZCZTQSA-N 0 3 370.472 2.466 20 30 FEEDHN N#CCc1ccc(OC[C@H](O)CN2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000296169131 553115966 /nfs/dbraw/zinc/11/59/66/553115966.db2.gz NLBXZNMQKCTNAM-UYAOXDASSA-N 0 3 356.466 2.383 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000296804095 553214053 /nfs/dbraw/zinc/21/40/53/553214053.db2.gz IGUZJFCHTCVLBC-UHFFFAOYSA-N 0 3 374.460 2.141 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000297484319 553298406 /nfs/dbraw/zinc/29/84/06/553298406.db2.gz MUUIWYAKUJCMPE-AQNXPRMDSA-N 0 3 355.482 2.156 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000298066228 553379532 /nfs/dbraw/zinc/37/95/32/553379532.db2.gz FINFYKVSHTXBSU-IRXDYDNUSA-N 0 3 363.527 2.300 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000298200723 553397448 /nfs/dbraw/zinc/39/74/48/553397448.db2.gz GERDQXCXWFSRPL-IBGZPJMESA-N 0 3 370.497 2.097 20 30 FEEDHN Cc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000503419856 561640865 /nfs/dbraw/zinc/64/08/65/561640865.db2.gz HTFWEHNPIQLDTF-LIRRHRJNSA-N 0 3 351.454 2.465 20 30 FEEDHN COCCN(CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000298296261 553409538 /nfs/dbraw/zinc/40/95/38/553409538.db2.gz XXQDUVPPOAVWAU-ZDUSSCGKSA-N 0 3 365.499 2.014 20 30 FEEDHN CC[C@@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)N(CC)CC ZINC000505668015 561676870 /nfs/dbraw/zinc/67/68/70/561676870.db2.gz COTRCIOJHUTRKO-ROUUACIJSA-N 0 3 356.470 2.290 20 30 FEEDHN Cc1[nH]ncc1CNC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000328640125 553800737 /nfs/dbraw/zinc/80/07/37/553800737.db2.gz XDYNPQOCGKXHBS-MRXNPFEDSA-N 0 3 370.457 2.281 20 30 FEEDHN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328752695 553816489 /nfs/dbraw/zinc/81/64/89/553816489.db2.gz RYTSJBZYEPRKTK-SSGTUYFUSA-N 0 3 365.518 2.214 20 30 FEEDHN CC(C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)S(=O)(=O)C1CCOCC1 ZINC000505834368 561682185 /nfs/dbraw/zinc/68/21/85/561682185.db2.gz SOERGHCWPGWSGG-NHYWBVRUSA-N 0 3 370.858 2.003 20 30 FEEDHN CCN1CCC(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000328864790 553835316 /nfs/dbraw/zinc/83/53/16/553835316.db2.gz ZLYHBYZSFGTMQE-INIZCTEOSA-N 0 3 373.453 2.252 20 30 FEEDHN CN(C)[C@]1(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCSC1 ZINC000328870568 553836392 /nfs/dbraw/zinc/83/63/92/553836392.db2.gz YBPORNNNGXLBFW-HWMZRRJGSA-N 0 3 353.532 2.275 20 30 FEEDHN CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC1CCOCC1 ZINC000328976517 553857402 /nfs/dbraw/zinc/85/74/02/553857402.db2.gz DBDLQKDEOZULHR-UHFFFAOYSA-N 0 3 363.414 2.318 20 30 FEEDHN CN1CCC2(CCCN2C(=O)NCc2ccc(Cn3cncn3)cc2)CC1 ZINC000329072124 553874958 /nfs/dbraw/zinc/87/49/58/553874958.db2.gz OAPKHDUEKGBFJR-UHFFFAOYSA-N 0 3 368.485 2.301 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329091385 553879213 /nfs/dbraw/zinc/87/92/13/553879213.db2.gz ADSUOCQJUBFXBA-HZPDHXFCSA-N 0 3 350.507 2.156 20 30 FEEDHN CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@H](C)CN3CCC[C@@H](C)C3)CC[C@@H]21 ZINC000329148746 553889861 /nfs/dbraw/zinc/88/98/61/553889861.db2.gz YMYDOFREKVKKRV-VQHPVUNQSA-N 0 3 365.522 2.102 20 30 FEEDHN Cn1ccnc1[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1F ZINC000329503052 553958894 /nfs/dbraw/zinc/95/88/94/553958894.db2.gz YYQCZJXCPLUQIJ-WMLDXEAASA-N 0 3 357.433 2.343 20 30 FEEDHN CC(C)(C)n1cnc(NC(=O)NCC2(N3CCSCC3)CCCC2)n1 ZINC000329573914 553970097 /nfs/dbraw/zinc/97/00/97/553970097.db2.gz RNHIQDWLRIWQPC-UHFFFAOYSA-N 0 3 366.535 2.721 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCCC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329577726 553970869 /nfs/dbraw/zinc/97/08/69/553970869.db2.gz SVPBHKRIVXOCDO-ULQDDVLXSA-N 0 3 367.559 2.355 20 30 FEEDHN CN(C)C1(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCCCCC1 ZINC000329606510 553975316 /nfs/dbraw/zinc/97/53/16/553975316.db2.gz IAGRMKBGZVECOK-UHFFFAOYSA-N 0 3 359.536 2.064 20 30 FEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000329741602 553998319 /nfs/dbraw/zinc/99/83/19/553998319.db2.gz WAIVXOMZBJPEPF-CVEARBPZSA-N 0 3 351.454 2.318 20 30 FEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000329741602 553998321 /nfs/dbraw/zinc/99/83/21/553998321.db2.gz WAIVXOMZBJPEPF-CVEARBPZSA-N 0 3 351.454 2.318 20 30 FEEDHN CN1CC[C@H](NCC(=O)NC(=O)NC2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000329797501 554007299 /nfs/dbraw/zinc/00/72/99/554007299.db2.gz XFHGORPVYXGGQV-GOEBONIOSA-N 0 3 352.385 2.333 20 30 FEEDHN CC[C@H](CNC(=O)N1CCCN(CC)C(=O)C1)N1CCc2ccccc2C1 ZINC000329829290 554014361 /nfs/dbraw/zinc/01/43/61/554014361.db2.gz DPQPLEJOLSWYFL-LJQANCHMSA-N 0 3 372.513 2.292 20 30 FEEDHN O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCC[C@H](CN2CCCCCC2)C1 ZINC000329864491 554021387 /nfs/dbraw/zinc/02/13/87/554021387.db2.gz ZRZHEFUEJIZRKJ-SJORKVTESA-N 0 3 371.547 2.066 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC000329865355 554021599 /nfs/dbraw/zinc/02/15/99/554021599.db2.gz AEVLXJISLQDNDN-KPFFTGBYSA-N 0 3 359.470 2.227 20 30 FEEDHN CC(C(=O)NCCN1CCCC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000329905248 554028440 /nfs/dbraw/zinc/02/84/40/554028440.db2.gz RKXBRNRKJSQKEX-CQSZACIVSA-N 0 3 360.520 2.047 20 30 FEEDHN CC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000329996175 554046297 /nfs/dbraw/zinc/04/62/97/554046297.db2.gz OKUDLOMMTWAAPI-QZTJIDSGSA-N 0 3 350.507 2.109 20 30 FEEDHN CC(C)(CCN1CCCCCC1)NC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000330092716 554063329 /nfs/dbraw/zinc/06/33/29/554063329.db2.gz ZBIJMMHLYHNVLH-OAHLLOKOSA-N 0 3 359.536 2.112 20 30 FEEDHN CC(C)N1CCC[C@H](CNC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000330171891 554077830 /nfs/dbraw/zinc/07/78/30/554077830.db2.gz XQLMPHIRYMEULG-LSDHHAIUSA-N 0 3 360.520 2.046 20 30 FEEDHN CC1(C)CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000330218502 554087396 /nfs/dbraw/zinc/08/73/96/554087396.db2.gz OSNDWKZTGIHQSF-UHFFFAOYSA-N 0 3 361.486 2.168 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C12CCC2 ZINC000330269632 554096676 /nfs/dbraw/zinc/09/66/76/554096676.db2.gz SDMIDUKPBCNWJI-BPQIPLTHSA-N 0 3 365.518 2.433 20 30 FEEDHN O=C(NC1CCN(c2cccnn2)CC1)[C@H]1CCCN1C1CCOCC1 ZINC000330279574 554098528 /nfs/dbraw/zinc/09/85/28/554098528.db2.gz RGRBLAJRLMCHGE-QGZVFWFLSA-N 0 3 359.474 2.045 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2Cn2cncn2)cc1 ZINC000507780855 561740828 /nfs/dbraw/zinc/74/08/28/561740828.db2.gz WSOWFFWZOWYMQX-FQEVSTJZSA-N 0 3 370.416 2.197 20 30 FEEDHN CN(C)[C@@]1(CNC(=O)Nc2cc3c(cc2F)NC(=O)CC3)CCSC1 ZINC000330330554 554106391 /nfs/dbraw/zinc/10/63/91/554106391.db2.gz NLCQZGNMDWKNOR-QGZVFWFLSA-N 0 3 366.462 2.474 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000330725456 554163572 /nfs/dbraw/zinc/16/35/72/554163572.db2.gz ZPKYJFSQVJDTJX-AWEZNQCLSA-N 0 3 367.515 2.439 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)C[C@H]1N(C)C ZINC000330725896 554163643 /nfs/dbraw/zinc/16/36/43/554163643.db2.gz ZTQLTGGMCTXSQH-HUUCEWRRSA-N 0 3 354.451 2.307 20 30 FEEDHN CC(C)NC(=O)NC1(C(=O)NCCN2CCC(C)CC2)CCCCC1 ZINC000330981613 554196892 /nfs/dbraw/zinc/19/68/92/554196892.db2.gz NZOILZORPDHPOB-UHFFFAOYSA-N 0 3 352.523 2.449 20 30 FEEDHN C=CCn1c(C2CC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000508717562 561770455 /nfs/dbraw/zinc/77/04/55/561770455.db2.gz TYQSAPICLOPSGY-UHFFFAOYSA-N 0 3 358.534 2.336 20 30 FEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000508746057 561771490 /nfs/dbraw/zinc/77/14/90/561771490.db2.gz JEFUKACBMKUVEB-INIZCTEOSA-N 0 3 358.490 2.396 20 30 FEEDHN C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508997140 561780680 /nfs/dbraw/zinc/78/06/80/561780680.db2.gz PUCLLFCLEPNXAN-UHFFFAOYSA-N 0 3 357.506 2.423 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1N1CCCC1 ZINC000331526096 554280287 /nfs/dbraw/zinc/28/02/87/554280287.db2.gz FWSMGJAUKGHDHR-BMGDILEWSA-N 0 3 358.511 2.397 20 30 FEEDHN N#Cc1nccnc1NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000608830881 554323087 /nfs/dbraw/zinc/32/30/87/554323087.db2.gz BOKOGZIEOYHPFF-UHFFFAOYSA-N 0 3 350.470 2.358 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000333439760 554613337 /nfs/dbraw/zinc/61/33/37/554613337.db2.gz LQNVPULMEOJPGD-MRXNPFEDSA-N 0 3 353.532 2.381 20 30 FEEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000611600882 554652633 /nfs/dbraw/zinc/65/26/33/554652633.db2.gz ATRAAFHXXWTCPY-AWEZNQCLSA-N 0 3 368.416 2.489 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000334036331 554671356 /nfs/dbraw/zinc/67/13/56/554671356.db2.gz LZZKPTVTOQKCKX-RDJZCZTQSA-N 0 3 350.507 2.019 20 30 FEEDHN C#CCOc1cc(F)ccc1NC1CCN(CCN2CCOCC2)CC1 ZINC000360015117 554859264 /nfs/dbraw/zinc/85/92/64/554859264.db2.gz KMYCMRZXPKEFFF-UHFFFAOYSA-N 0 3 361.461 2.046 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000360178271 554866321 /nfs/dbraw/zinc/86/63/21/554866321.db2.gz HZTOIQUSTGRZTP-UHFFFAOYSA-N 0 3 371.466 2.171 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@]4(CC[C@@H](C)C4)C3)CC2)o1 ZINC000360682889 554885134 /nfs/dbraw/zinc/88/51/34/554885134.db2.gz WSJYFKPWUZVCGP-FOIQADDNSA-N 0 3 371.485 2.015 20 30 FEEDHN Cn1cc([C@H](O)CNCc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000360990115 554899019 /nfs/dbraw/zinc/89/90/19/554899019.db2.gz OLBRGKHSRGRWIU-GOSISDBHSA-N 0 3 350.426 2.020 20 30 FEEDHN CN(C)C[C@H]1CN(CC(=O)Nc2sccc2C#N)c2ccccc2O1 ZINC000362163389 554953820 /nfs/dbraw/zinc/95/38/20/554953820.db2.gz SIXVKUAQJQWEPT-AWEZNQCLSA-N 0 3 356.451 2.387 20 30 FEEDHN Cc1cc(NC(=O)C2CCN(CCOc3ccccc3C#N)CC2)no1 ZINC000363205708 555053684 /nfs/dbraw/zinc/05/36/84/555053684.db2.gz WIRQBBLZSVAYNT-UHFFFAOYSA-N 0 3 354.410 2.584 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2nncn2CC(C)C)CC1 ZINC000363249621 555063473 /nfs/dbraw/zinc/06/34/73/555063473.db2.gz AAHSZNGJXRABDB-KRWDZBQOSA-N 0 3 360.506 2.431 20 30 FEEDHN Cn1cccc1C(=O)NC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000363452181 555109037 /nfs/dbraw/zinc/10/90/37/555109037.db2.gz BWBOCSMHUYWBBP-UHFFFAOYSA-N 0 3 352.438 2.170 20 30 FEEDHN C=CCN(C(=O)NCC(C)(C)C(=O)NC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363808150 555190391 /nfs/dbraw/zinc/19/03/91/555190391.db2.gz AJORQLHHOLERAB-SFHVURJKSA-N 0 3 372.513 2.231 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC000364694685 555376905 /nfs/dbraw/zinc/37/69/05/555376905.db2.gz HAACFLKGRVRZJJ-UHFFFAOYSA-N 0 3 361.490 2.482 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC(CCN2CCN(C)CC2)CC1 ZINC000364857261 555417014 /nfs/dbraw/zinc/41/70/14/555417014.db2.gz XGFJHYQTJQKRHF-FQEVSTJZSA-N 0 3 351.535 2.091 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(c4ccccc4C#N)C3)[C@H]2C1 ZINC000364990311 555458323 /nfs/dbraw/zinc/45/83/23/555458323.db2.gz WLBRYUXFCPDENO-KPFFTGBYSA-N 0 3 367.497 2.263 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000365184598 555504740 /nfs/dbraw/zinc/50/47/40/555504740.db2.gz HKZFMAOCISQMNF-MRXNPFEDSA-N 0 3 371.485 2.092 20 30 FEEDHN C=CCc1cc(CNC[C@@H]2CCCCN2S(C)(=O)=O)cc(OC)c1O ZINC000513006607 561922460 /nfs/dbraw/zinc/92/24/60/561922460.db2.gz AAENHOVMTQAEFH-INIZCTEOSA-N 0 3 368.499 2.033 20 30 FEEDHN C=CCc1cc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc(OC)c1O ZINC000513016349 561922686 /nfs/dbraw/zinc/92/26/86/561922686.db2.gz HYPYMHUIFNGRMZ-MRXNPFEDSA-N 0 3 374.403 2.482 20 30 FEEDHN C=CCc1cc(CNC[C@H](N2CCOCC2)C(F)(F)F)cc(OC)c1O ZINC000513016348 561922726 /nfs/dbraw/zinc/92/27/26/561922726.db2.gz HYPYMHUIFNGRMZ-INIZCTEOSA-N 0 3 374.403 2.482 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365545799 555605043 /nfs/dbraw/zinc/60/50/43/555605043.db2.gz KGCNJXGEEPVJAS-SNRMKQJTSA-N 0 3 368.481 2.151 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365545799 555605047 /nfs/dbraw/zinc/60/50/47/555605047.db2.gz KGCNJXGEEPVJAS-SNRMKQJTSA-N 0 3 368.481 2.151 20 30 FEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c(C#N)c1C ZINC000365597954 555619236 /nfs/dbraw/zinc/61/92/36/555619236.db2.gz JJIBKGWLOXDMLY-QGTPRVQTSA-N 0 3 374.485 2.328 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCN3CCC[C@@H](C)C3)C2)n1 ZINC000365751288 555659420 /nfs/dbraw/zinc/65/94/20/555659420.db2.gz JDYRDCGQVIXOKN-APWZRJJASA-N 0 3 369.513 2.326 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CN(C4CC4)C[C@H]3C)C2)n1 ZINC000366039773 555734179 /nfs/dbraw/zinc/73/41/79/555734179.db2.gz HIXBCTRIBOWFIS-LJHODMEESA-N 0 3 367.497 2.077 20 30 FEEDHN C=CCc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000366190375 555776044 /nfs/dbraw/zinc/77/60/44/555776044.db2.gz CNRRRKFKPFZNRG-SFHVURJKSA-N 0 3 374.481 2.415 20 30 FEEDHN Clc1ccc(C#CCN2CCN(CCN3CCCOCC3)CC2)cc1 ZINC000366919460 555969759 /nfs/dbraw/zinc/96/97/59/555969759.db2.gz YVJQLYLWEGTMBR-UHFFFAOYSA-N 0 3 361.917 2.031 20 30 FEEDHN CN1C(=O)C[C@@H](NCc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(F)cc1 ZINC000366931083 555974412 /nfs/dbraw/zinc/97/44/12/555974412.db2.gz DCMBSWCVWVFQAB-XLIONFOSSA-N 0 3 363.396 2.407 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367014636 555997241 /nfs/dbraw/zinc/99/72/41/555997241.db2.gz GLGAHYCYCYNTDK-IBGZPJMESA-N 0 3 364.490 2.224 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@@H]2CCC(=O)N[C@H]2C2CC2)cc1C ZINC000367460037 556056446 /nfs/dbraw/zinc/05/64/46/556056446.db2.gz XVYMPVMJASOSDG-NQIIRXRSSA-N 0 3 368.481 2.197 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1C ZINC000367460039 556056573 /nfs/dbraw/zinc/05/65/73/556056573.db2.gz XVYMPVMJASOSDG-WIYYLYMNSA-N 0 3 368.481 2.197 20 30 FEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000514788889 561979706 /nfs/dbraw/zinc/97/97/06/561979706.db2.gz PXOLYKWJDXZANH-QGZVFWFLSA-N 0 3 358.417 2.309 20 30 FEEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CNC1(C2CC2)CCOCC1 ZINC000367568162 556084986 /nfs/dbraw/zinc/08/49/86/556084986.db2.gz ZKYCJCNEFQUTFJ-UHFFFAOYSA-N 0 3 365.437 2.231 20 30 FEEDHN N#Cc1ccc(N2CCC([NH2+]CCNC(=O)c3ccccc3[O-])CC2)cc1 ZINC000367612145 556097036 /nfs/dbraw/zinc/09/70/36/556097036.db2.gz DAHJODDDXKUMPN-UHFFFAOYSA-N 0 3 364.449 2.252 20 30 FEEDHN Cc1ccc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1C#N ZINC000368513255 556332498 /nfs/dbraw/zinc/33/24/98/556332498.db2.gz CAJJCOGQMSGMSS-UHFFFAOYSA-N 0 3 354.498 2.356 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000369073772 556497476 /nfs/dbraw/zinc/49/74/76/556497476.db2.gz JISMKCISGXYEFG-MRXNPFEDSA-N 0 3 364.440 2.493 20 30 FEEDHN N#Cc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369160726 556521786 /nfs/dbraw/zinc/52/17/86/556521786.db2.gz KLNLJRNOJNXFRB-SFHVURJKSA-N 0 3 364.449 2.360 20 30 FEEDHN C=CCN1CC[C@H](N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1=O ZINC000369204934 556535214 /nfs/dbraw/zinc/53/52/14/556535214.db2.gz QGHBEHWNIHCTPU-INIZCTEOSA-N 0 3 363.502 2.496 20 30 FEEDHN CN1CC[C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1cccc(Cl)c1 ZINC000369403172 556592511 /nfs/dbraw/zinc/59/25/11/556592511.db2.gz UNMNSGRFKPLFNM-HYVNUMGLSA-N 0 3 362.861 2.267 20 30 FEEDHN C#CCCN1CCC(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000369592111 556641221 /nfs/dbraw/zinc/64/12/21/556641221.db2.gz OVGNVVCAULNTDR-KRWDZBQOSA-N 0 3 357.479 2.093 20 30 FEEDHN COc1cc(CNC(=O)[C@@H](N)CCCC#N)ccc1OCc1cccnc1 ZINC000516460594 562043544 /nfs/dbraw/zinc/04/35/44/562043544.db2.gz RSUJDKBEZGERAH-KRWDZBQOSA-N 0 3 368.437 2.307 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](O)CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000516563793 562048087 /nfs/dbraw/zinc/04/80/87/562048087.db2.gz UQYOTORUHWWYRE-TYCQWZJGSA-N 0 3 363.461 2.413 20 30 FEEDHN COCCc1ccc(OC[C@@H](O)CNCc2ccc(C#N)c(F)c2)cc1 ZINC000516563795 562048101 /nfs/dbraw/zinc/04/81/01/562048101.db2.gz UTDPIBDRDQBNIL-SFHVURJKSA-N 0 3 358.413 2.416 20 30 FEEDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370001280 556754207 /nfs/dbraw/zinc/75/42/07/556754207.db2.gz ZTONEQLVWJELIP-DZGCQCFKSA-N 0 3 368.416 2.583 20 30 FEEDHN CCOC(=O)C1(COC)CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000370109986 556783226 /nfs/dbraw/zinc/78/32/26/556783226.db2.gz HJHFZXJIAOVZKM-UHFFFAOYSA-N 0 3 373.453 2.179 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000370295252 556832376 /nfs/dbraw/zinc/83/23/76/556832376.db2.gz VMRQRHUPBDOLJG-YCPHGPKFSA-N 0 3 370.544 2.057 20 30 FEEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000370667439 556934989 /nfs/dbraw/zinc/93/49/89/556934989.db2.gz MKAOYGMBAZCYKG-SJLPKXTDSA-N 0 3 366.383 2.330 20 30 FEEDHN C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000370668172 556935316 /nfs/dbraw/zinc/93/53/16/556935316.db2.gz UAVYQKYSVKFQPV-GOEBONIOSA-N 0 3 359.451 2.340 20 30 FEEDHN C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000370668172 556935317 /nfs/dbraw/zinc/93/53/17/556935317.db2.gz UAVYQKYSVKFQPV-GOEBONIOSA-N 0 3 359.451 2.340 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371335251 557150835 /nfs/dbraw/zinc/15/08/35/557150835.db2.gz JXIVYJKKLGBKOU-HXUWFJFHSA-N 0 3 368.481 2.468 20 30 FEEDHN C=CCOc1cccc(CN2CCCN(c3ncccc3C(N)=O)CC2)c1 ZINC000371420510 557181645 /nfs/dbraw/zinc/18/16/45/557181645.db2.gz YSYFJMXYEOZPTE-UHFFFAOYSA-N 0 3 366.465 2.458 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCC(=O)NCc2ccccc2)CC1 ZINC000517998295 562102180 /nfs/dbraw/zinc/10/21/80/562102180.db2.gz YTTCMUCLZJXWEW-UHFFFAOYSA-N 0 3 358.486 2.033 20 30 FEEDHN CC(C(=O)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1)S(C)(=O)=O ZINC000371988938 557348324 /nfs/dbraw/zinc/34/83/24/557348324.db2.gz XBNUGLRSVVKJHB-WDEREUQCSA-N 0 3 363.464 2.292 20 30 FEEDHN Cc1ncc(S(=O)(=O)N[C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1C#N ZINC000518871987 562120002 /nfs/dbraw/zinc/12/00/02/562120002.db2.gz BVEBSUIICGFMTK-CABCVRRESA-N 0 3 362.499 2.193 20 30 FEEDHN Cc1ncc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1C#N ZINC000518871992 562120017 /nfs/dbraw/zinc/12/00/17/562120017.db2.gz BVEBSUIICGFMTK-LSDHHAIUSA-N 0 3 362.499 2.193 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2C(=N)NO)c1C ZINC000372311069 557436532 /nfs/dbraw/zinc/43/65/32/557436532.db2.gz XUMLVRHJSCCRMG-QGZVFWFLSA-N 0 3 357.458 2.361 20 30 FEEDHN Cc1cc(NC(=O)N(CCN(C)C)C(C)C)nn1-c1cccc(C#N)c1 ZINC000372374017 557454053 /nfs/dbraw/zinc/45/40/53/557454053.db2.gz DVYIUQCHSCNGIK-UHFFFAOYSA-N 0 3 354.458 2.856 20 30 FEEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@]2(C1)CCCN(C)C2=O ZINC000372901544 557584965 /nfs/dbraw/zinc/58/49/65/557584965.db2.gz GCVMCSDAZAALRY-DJJJIMSYSA-N 0 3 374.872 2.483 20 30 FEEDHN Cc1ccc(O[C@@H](C)CNCCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000519760000 562142940 /nfs/dbraw/zinc/14/29/40/562142940.db2.gz OKXSNQUTIDGGTK-HNNXBMFYSA-N 0 3 359.451 2.093 20 30 FEEDHN N#CCCN(C(=O)CN[C@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1 ZINC000373119556 557632779 /nfs/dbraw/zinc/63/27/79/557632779.db2.gz ZKBJKHWWPPRGRV-VQTJNVASSA-N 0 3 370.497 2.166 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000373200078 557648469 /nfs/dbraw/zinc/64/84/69/557648469.db2.gz CTRCVCYJYZXWQL-AZUAARDMSA-N 0 3 356.397 2.031 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000373270980 557662537 /nfs/dbraw/zinc/66/25/37/557662537.db2.gz OLZRCGCFCKRTOU-CQSZACIVSA-N 0 3 360.433 2.092 20 30 FEEDHN C=CCN1CCC(NC(=O)NC2CC(O)(Cc3cccc(F)c3)C2)CC1 ZINC000373545829 557715577 /nfs/dbraw/zinc/71/55/77/557715577.db2.gz WDDOQXHWMAZWOS-UHFFFAOYSA-N 0 3 361.461 2.211 20 30 FEEDHN CCOC(=O)C1(COC)CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000373727682 557746022 /nfs/dbraw/zinc/74/60/22/557746022.db2.gz ITOPWFWISOHTCZ-UHFFFAOYSA-N 0 3 373.453 2.179 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(C)n2)CC1 ZINC000520859997 562165288 /nfs/dbraw/zinc/16/52/88/562165288.db2.gz MLNKLLDBMZYPIH-LJQANCHMSA-N 0 3 370.497 2.210 20 30 FEEDHN C[C@@H](CO)N1CCCN(Cc2cccn2Cc2ccccc2C#N)CC1 ZINC000375487938 558036147 /nfs/dbraw/zinc/03/61/47/558036147.db2.gz YGJHDJPFNJDQBF-SFHVURJKSA-N 0 3 352.482 2.297 20 30 FEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)cc1 ZINC000375517549 558041656 /nfs/dbraw/zinc/04/16/56/558041656.db2.gz VZHXFZQJLABRHR-WIBUTAKZSA-N 0 3 352.438 2.103 20 30 FEEDHN C=CCN(C(=O)c1ccoc1CC(N)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000375640007 558060871 /nfs/dbraw/zinc/06/08/71/558060871.db2.gz FDNMZKNAJBPUIM-KRWDZBQOSA-N 0 3 367.449 2.210 20 30 FEEDHN N#Cc1ccc(CNC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)o1 ZINC000375737898 558075000 /nfs/dbraw/zinc/07/50/00/558075000.db2.gz HJSRIKWVJBMPKG-GFCCVEGCSA-N 0 3 351.453 2.013 20 30 FEEDHN Cc1nc(C)n(C[C@@H]2CCCN2CCC(=O)Nc2ccccc2C#N)n1 ZINC000375816498 558084249 /nfs/dbraw/zinc/08/42/49/558084249.db2.gz RWFJPDKWUNZJJH-KRWDZBQOSA-N 0 3 352.442 2.260 20 30 FEEDHN CN(Cc1ccc(C#N)cc1)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000376046994 558119092 /nfs/dbraw/zinc/11/90/92/558119092.db2.gz LINFCGLXTASZDF-UHFFFAOYSA-N 0 3 352.442 2.685 20 30 FEEDHN CN1CCC(Oc2cc(NC(=O)COc3ccc(C#N)cc3)ccn2)CC1 ZINC000376863771 558231147 /nfs/dbraw/zinc/23/11/47/558231147.db2.gz HKGIFBZQKDZWOM-UHFFFAOYSA-N 0 3 366.421 2.444 20 30 FEEDHN CN1CCN(C[C@H]2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000376879205 558233283 /nfs/dbraw/zinc/23/32/83/558233283.db2.gz BYGMUPVKPJMDLU-GOSISDBHSA-N 0 3 366.509 2.341 20 30 FEEDHN Cc1noc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000522440951 562198499 /nfs/dbraw/zinc/19/84/99/562198499.db2.gz HTOONGYTUGILFO-CYBMUJFWSA-N 0 3 356.430 2.084 20 30 FEEDHN C[C@@H]1C[C@@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000523573344 562215610 /nfs/dbraw/zinc/21/56/10/562215610.db2.gz UXSXMYYUCPBIOR-ZIAGYGMSSA-N 0 3 353.463 2.344 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000524599480 562230972 /nfs/dbraw/zinc/23/09/72/562230972.db2.gz KJJPNUWDVYHCGE-AEFFLSMTSA-N 0 3 358.486 2.156 20 30 FEEDHN C[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1 ZINC000409747430 558718291 /nfs/dbraw/zinc/71/82/91/558718291.db2.gz MZVPQNLNRXQTTN-SOLBZPMBSA-N 0 3 366.469 2.222 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC000410108728 558738911 /nfs/dbraw/zinc/73/89/11/558738911.db2.gz XTWMWPMMKBYYLR-HKUYNNGSSA-N 0 3 373.472 2.283 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(OCC)cc2F)CC1 ZINC000411231165 558856971 /nfs/dbraw/zinc/85/69/71/558856971.db2.gz SPBMAECDUWMUEX-UHFFFAOYSA-N 0 3 363.433 2.320 20 30 FEEDHN Cc1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)ccc1CN(C)C ZINC000411498025 558905601 /nfs/dbraw/zinc/90/56/01/558905601.db2.gz PKSKEPZDKIXWBQ-UHFFFAOYSA-N 0 3 356.470 2.441 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000413231381 559090510 /nfs/dbraw/zinc/09/05/10/559090510.db2.gz FLWAROCYDRANBM-GOSISDBHSA-N 0 3 374.460 2.271 20 30 FEEDHN CCn1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000413637004 559121889 /nfs/dbraw/zinc/12/18/89/559121889.db2.gz DRKJHAWGPUQAPB-UHFFFAOYSA-N 0 3 354.458 2.048 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCN2)C(C)C ZINC000414694517 559180227 /nfs/dbraw/zinc/18/02/27/559180227.db2.gz OALYKDVZONBHAB-IBGZPJMESA-N 0 3 370.497 2.408 20 30 FEEDHN C=CCN(CCC#N)C(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415257953 559219247 /nfs/dbraw/zinc/21/92/47/559219247.db2.gz BVWCWPYRFZWVGD-UHFFFAOYSA-N 0 3 354.332 2.031 20 30 FEEDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415425337 559234961 /nfs/dbraw/zinc/23/49/61/559234961.db2.gz JWHWEYMQKFERKY-GFCCVEGCSA-N 0 3 350.488 2.345 20 30 FEEDHN CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000415646801 559257681 /nfs/dbraw/zinc/25/76/81/559257681.db2.gz LJCVEDXAEHOSBL-UHFFFAOYSA-N 0 3 362.433 2.346 20 30 FEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418754084 559414130 /nfs/dbraw/zinc/41/41/30/559414130.db2.gz WGDKLSDZIOUCIQ-CQSZACIVSA-N 0 3 354.357 2.290 20 30 FEEDHN CN(CCN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)Cc1ccccc1 ZINC000418871283 559420264 /nfs/dbraw/zinc/42/02/64/559420264.db2.gz VFEFYVARQVLYLX-OAQYLSRUSA-N 0 3 362.433 2.457 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419064080 559426829 /nfs/dbraw/zinc/42/68/29/559426829.db2.gz XGJAYIXYOJFABE-OALUTQOASA-N 0 3 357.498 2.314 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000420857196 559507931 /nfs/dbraw/zinc/50/79/31/559507931.db2.gz HELBPRJWOQAXHL-KRWDZBQOSA-N 0 3 358.486 2.242 20 30 FEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1F ZINC000421326950 559539238 /nfs/dbraw/zinc/53/92/38/559539238.db2.gz PCMOIOUHUYLNRB-INIZCTEOSA-N 0 3 369.396 2.112 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424071799 559653767 /nfs/dbraw/zinc/65/37/67/559653767.db2.gz FGICYUWLSMULNU-HNNXBMFYSA-N 0 3 350.422 2.125 20 30 FEEDHN C[C@@H](C(=O)Nc1cccc(NC(=O)[C@@H](N)CCCC#N)c1)n1cccn1 ZINC000424106257 559655083 /nfs/dbraw/zinc/65/50/83/559655083.db2.gz XHXKQLGPUDUELA-BBRMVZONSA-N 0 3 354.414 2.042 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000424140575 559655940 /nfs/dbraw/zinc/65/59/40/559655940.db2.gz WINCGQXUBJRTSE-CYBMUJFWSA-N 0 3 356.257 2.058 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000424142456 559655973 /nfs/dbraw/zinc/65/59/73/559655973.db2.gz UZUYFZRIXZNXSE-OAHLLOKOSA-N 0 3 354.376 2.375 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000424139831 559655981 /nfs/dbraw/zinc/65/59/81/559655981.db2.gz FNVDNYFRZSLODN-GUYCJALGSA-N 0 3 350.413 2.067 20 30 FEEDHN COc1ccc([C@@H](CNC(=O)[C@@H](N)CCCC#N)N2CCCCC2)cc1 ZINC000424144375 559656096 /nfs/dbraw/zinc/65/60/96/559656096.db2.gz XJRKGJSRVGYNOD-RBUKOAKNSA-N 0 3 358.486 2.360 20 30 FEEDHN COc1ccc([C@H](CNC(=O)[C@H](N)CCCC#N)N2CCCCC2)cc1 ZINC000424144373 559656120 /nfs/dbraw/zinc/65/61/20/559656120.db2.gz XJRKGJSRVGYNOD-MOPGFXCFSA-N 0 3 358.486 2.360 20 30 FEEDHN C=CCCn1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)nn1 ZINC000424710872 559674410 /nfs/dbraw/zinc/67/44/10/559674410.db2.gz VCEXROYOFJCZJY-WMZOPIPTSA-N 0 3 353.470 2.495 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)nn1 ZINC000425645190 559712841 /nfs/dbraw/zinc/71/28/41/559712841.db2.gz OICKDNNJVVNUET-HNNXBMFYSA-N 0 3 360.487 2.162 20 30 FEEDHN N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000425801436 559720175 /nfs/dbraw/zinc/72/01/75/559720175.db2.gz HDGNDVAHTYRSAI-MAUKXSAKSA-N 0 3 354.454 2.419 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425995180 559727132 /nfs/dbraw/zinc/72/71/32/559727132.db2.gz TVVOZFJCHZORFE-SIKLNZKXSA-N 0 3 371.525 2.144 20 30 FEEDHN N#Cc1c(F)cccc1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000427121499 559748431 /nfs/dbraw/zinc/74/84/31/559748431.db2.gz JDLWKNBGKUEABJ-UHFFFAOYSA-N 0 3 367.428 2.034 20 30 FEEDHN C=CCC[C@H](CC)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428382103 559774407 /nfs/dbraw/zinc/77/44/07/559774407.db2.gz OKJZZFKSXGJCQS-AWEZNQCLSA-N 0 3 366.483 2.165 20 30 FEEDHN C=CCN(C)CCN(CC)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000429703864 559804297 /nfs/dbraw/zinc/80/42/97/559804297.db2.gz TVSMASZUCRGWFD-OAHLLOKOSA-N 0 3 354.292 2.415 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccncc2)cc1 ZINC000429929145 559809011 /nfs/dbraw/zinc/80/90/11/559809011.db2.gz SNCILLKESHCZHM-ZDUSSCGKSA-N 0 3 358.423 2.431 20 30 FEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)COC1CNC1 ZINC000430258612 559816414 /nfs/dbraw/zinc/81/64/14/559816414.db2.gz OZGOVSQMWUDPDA-UHFFFAOYSA-N 0 3 357.223 2.091 20 30 FEEDHN Cc1nccc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000432658851 559862619 /nfs/dbraw/zinc/86/26/19/559862619.db2.gz OIXRGWYFAOVMJV-UHFFFAOYSA-N 0 3 351.454 2.180 20 30 FEEDHN COCCN(C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCSC1 ZINC000433193389 559873162 /nfs/dbraw/zinc/87/31/62/559873162.db2.gz QCOYCDGUIQMXPC-IRXDYDNUSA-N 0 3 350.484 2.142 20 30 FEEDHN COCCOc1ncccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433321780 559876893 /nfs/dbraw/zinc/87/68/93/559876893.db2.gz WDMQIFGUNZRMCR-KRWDZBQOSA-N 0 3 353.422 2.496 20 30 FEEDHN CN(C)C(=O)C1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434836104 559910404 /nfs/dbraw/zinc/91/04/04/559910404.db2.gz JSHDDIZTHYKIGY-UHFFFAOYSA-N 0 3 366.469 2.159 20 30 FEEDHN CN(C)CCOc1ccccc1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000435437236 559922978 /nfs/dbraw/zinc/92/29/78/559922978.db2.gz JRRIZBBJDOYPCY-UHFFFAOYSA-N 0 3 365.480 2.039 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000437724577 559968624 /nfs/dbraw/zinc/96/86/24/559968624.db2.gz VCSCLVWRAQOFOA-DOTOQJQBSA-N 0 3 353.507 2.156 20 30 FEEDHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000438944255 559985888 /nfs/dbraw/zinc/98/58/88/559985888.db2.gz QKJIHRMGMOLPTP-OAHLLOKOSA-N 0 3 353.463 2.486 20 30 FEEDHN C=CCN(C(=O)NC[C@@H]1CCCN1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441326331 560028649 /nfs/dbraw/zinc/02/86/49/560028649.db2.gz FADDOBQEZXORQS-YJBOKZPZSA-N 0 3 369.473 2.015 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CCN1C ZINC000442126015 560044421 /nfs/dbraw/zinc/04/44/21/560044421.db2.gz FZJIEERDIUESCK-ZIAGYGMSSA-N 0 3 360.483 2.230 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000442144982 560044895 /nfs/dbraw/zinc/04/48/95/560044895.db2.gz YWDXKCHEMUHMTB-KFWWJZLASA-N 0 3 374.510 2.476 20 30 FEEDHN CC1(C)CCCN(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000444616143 560116798 /nfs/dbraw/zinc/11/67/98/560116798.db2.gz NFAAWRIOJYTSBB-UHFFFAOYSA-N 0 3 366.469 2.178 20 30 FEEDHN CN(C)CCNC(=O)c1ccc(NCc2cnc3ccc(C#N)cn23)cc1 ZINC000527763002 562303040 /nfs/dbraw/zinc/30/30/40/562303040.db2.gz KRZWMIDFXKLDEP-UHFFFAOYSA-N 0 3 362.437 2.109 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)CC1 ZINC000527768551 562303274 /nfs/dbraw/zinc/30/32/74/562303274.db2.gz PBJLWPOZHUCDIO-LJQANCHMSA-N 0 3 372.513 2.219 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCN1C ZINC000449942635 560245907 /nfs/dbraw/zinc/24/59/07/560245907.db2.gz UTYIZOJXAVCNBQ-SNPRPXQTSA-N 0 3 374.872 2.163 20 30 FEEDHN Cn1c(C#N)ccc1C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000450409829 560261513 /nfs/dbraw/zinc/26/15/13/560261513.db2.gz YAULJSAIGJHHGI-UHFFFAOYSA-N 0 3 366.465 2.344 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]([C@H](CO)C3CC3)C3CC3)C2=O)cc1 ZINC000451614816 560317469 /nfs/dbraw/zinc/31/74/69/560317469.db2.gz PASRUDXRQUZNED-AABGKKOBSA-N 0 3 353.466 2.440 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000451683332 560321648 /nfs/dbraw/zinc/32/16/48/560321648.db2.gz RMBQKWRRSJXYOC-KGLIPLIRSA-N 0 3 352.456 2.495 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000451886293 560334676 /nfs/dbraw/zinc/33/46/76/560334676.db2.gz CWDQJOFULFTYHC-OAHLLOKOSA-N 0 3 352.523 2.219 20 30 FEEDHN C=CCN1CC[C@@H](N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1=O ZINC000452026689 560346235 /nfs/dbraw/zinc/34/62/35/560346235.db2.gz VEOGUBDFACAVTL-GVDBMIGSSA-N 0 3 367.415 2.393 20 30 FEEDHN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2cccc(CC#N)c2)cc1 ZINC000453567380 560388902 /nfs/dbraw/zinc/38/89/02/560388902.db2.gz GKQCCBCPBZPZGJ-UHFFFAOYSA-N 0 3 350.422 2.069 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)C(C)C ZINC000453592269 560390142 /nfs/dbraw/zinc/39/01/42/560390142.db2.gz HTGHXVREQWQTCU-QGZVFWFLSA-N 0 3 369.469 2.015 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000453645988 560393070 /nfs/dbraw/zinc/39/30/70/560393070.db2.gz AUVLBKKTUNMWNV-MRXNPFEDSA-N 0 3 364.449 2.442 20 30 FEEDHN C=CC(C)(C)CNC(=O)N1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000455391345 560480511 /nfs/dbraw/zinc/48/05/11/560480511.db2.gz XAJYHLBBYKRVKS-GOSISDBHSA-N 0 3 364.534 2.174 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456068885 560505941 /nfs/dbraw/zinc/50/59/41/560505941.db2.gz PDWPUWDPANMRPS-KRWDZBQOSA-N 0 3 356.514 2.269 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000456746506 560531685 /nfs/dbraw/zinc/53/16/85/560531685.db2.gz DNAROKJWSRKDOG-WOJBJXKFSA-N 0 3 361.445 2.329 20 30 FEEDHN Cc1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)ccc1CN(C)C ZINC000458265253 560611981 /nfs/dbraw/zinc/61/19/81/560611981.db2.gz NSQZSGXPBWDMGN-UHFFFAOYSA-N 0 3 350.422 2.297 20 30 FEEDHN C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(CC)CC1 ZINC000460936247 560756284 /nfs/dbraw/zinc/75/62/84/560756284.db2.gz XFSODMRWDPUIRV-UHFFFAOYSA-N 0 3 362.522 2.305 20 30 FEEDHN CCOCc1nc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)no1 ZINC000461231441 560764530 /nfs/dbraw/zinc/76/45/30/560764530.db2.gz XVQPWUDGWCMNLE-DOMZBBRYSA-N 0 3 353.382 2.037 20 30 FEEDHN N#C[C@H]1CCC[C@H]1NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000461957862 560789680 /nfs/dbraw/zinc/78/96/80/560789680.db2.gz LLCJFWBOONDNTH-WOJBJXKFSA-N 0 3 369.513 2.186 20 30 FEEDHN N#C[C@H]1CCC[C@@H]1NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000461957860 560789712 /nfs/dbraw/zinc/78/97/12/560789712.db2.gz LLCJFWBOONDNTH-UXHICEINSA-N 0 3 369.513 2.186 20 30 FEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000468459038 560930366 /nfs/dbraw/zinc/93/03/66/560930366.db2.gz NIOKRZNCWRFYJF-OAHLLOKOSA-N 0 3 362.861 2.387 20 30 FEEDHN O=C(NCC(F)(F)F)[C@H]1CCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC000469780336 560964567 /nfs/dbraw/zinc/96/45/67/560964567.db2.gz NOQFBVUTVVAEQM-QMMMGPOBSA-N 0 3 372.256 2.201 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncc(C(N)=O)cc1Cl ZINC000470508026 560983623 /nfs/dbraw/zinc/98/36/23/560983623.db2.gz SRXFMXAKOSUMQF-UHFFFAOYSA-N 0 3 357.845 2.274 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)C(C)C ZINC000471600853 561008423 /nfs/dbraw/zinc/00/84/23/561008423.db2.gz DZCUCYREDTYJQN-QWFCFKBJSA-N 0 3 365.518 2.274 20 30 FEEDHN COC(=O)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000472207674 561021078 /nfs/dbraw/zinc/02/10/78/561021078.db2.gz LCEAIEDJCZSSDT-MOPGFXCFSA-N 0 3 361.401 2.314 20 30 FEEDHN Cn1ncc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1C#N ZINC000475171607 561092105 /nfs/dbraw/zinc/09/21/05/561092105.db2.gz QARYYISFXBQATD-UHFFFAOYSA-N 0 3 364.453 2.076 20 30 FEEDHN N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000528283717 562320544 /nfs/dbraw/zinc/32/05/44/562320544.db2.gz CQEKKPUZAVHYDW-IBGZPJMESA-N 0 3 367.497 2.407 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]3CCN3C3CCCC3)C2)nc1 ZINC000528294603 562321424 /nfs/dbraw/zinc/32/14/24/562321424.db2.gz LLSBXIWRADXJOA-MSOLQXFVSA-N 0 3 369.469 2.133 20 30 FEEDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528366811 562325213 /nfs/dbraw/zinc/32/52/13/562325213.db2.gz PSKBGDXCWCJYBE-YTQUADARSA-N 0 3 373.497 2.315 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502651 562332863 /nfs/dbraw/zinc/33/28/63/562332863.db2.gz JZSHEZPMCWWQLS-IAGOWNOFSA-N 0 3 356.470 2.190 20 30 FEEDHN COc1cc(NC(=O)Cc2ccc(C#N)nc2)ccc1OCCN(C)C ZINC000529498440 562375532 /nfs/dbraw/zinc/37/55/32/562375532.db2.gz WZYVSKAULVTQEP-UHFFFAOYSA-N 0 3 354.410 2.083 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529719712 562382465 /nfs/dbraw/zinc/38/24/65/562382465.db2.gz OZHATUWEEWSBIH-KRWDZBQOSA-N 0 3 357.454 2.469 20 30 FEEDHN N#Cc1cccc(CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1 ZINC000530669845 562420043 /nfs/dbraw/zinc/42/00/43/562420043.db2.gz DYQGLCYDMLWAMD-UHFFFAOYSA-N 0 3 363.461 2.374 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000535458687 562559079 /nfs/dbraw/zinc/55/90/79/562559079.db2.gz GBGDSWPOMVJJNX-KRWDZBQOSA-N 0 3 359.474 2.081 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCS[C@H](C)CC1)C(C)C ZINC000556209900 674392164 /nfs/dbraw/zinc/39/21/64/674392164.db2.gz ZOFVLSKYPXLDIT-IAGOWNOFSA-N 0 3 367.559 2.155 20 30 FEEDHN N#CC1(C[C@@H](O)CN[C@@H](CO)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000601968060 567889603 /nfs/dbraw/zinc/88/96/03/567889603.db2.gz LJOABJGRHDMFNC-CVEARBPZSA-N 0 3 372.387 2.400 20 30 FEEDHN C=CCCSCCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000602179049 567942596 /nfs/dbraw/zinc/94/25/96/567942596.db2.gz QRSJCRFQZJUASX-UHFFFAOYSA-N 0 3 362.499 2.343 20 30 FEEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(CCC#N)CC1)N(C)C ZINC000602312081 567965966 /nfs/dbraw/zinc/96/59/66/567965966.db2.gz PMYZOUIEFPJCFQ-MJGOQNOKSA-N 0 3 357.502 2.227 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2cccc(OCCN(C)C)c2)C[C@H](C)N1CC#N ZINC000602794896 568034875 /nfs/dbraw/zinc/03/48/75/568034875.db2.gz DZUPJVOLYPTYCY-IYBDPMFKSA-N 0 3 359.474 2.077 20 30 FEEDHN Cc1n[nH]c([C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000568841725 568232283 /nfs/dbraw/zinc/23/22/83/568232283.db2.gz CNDOCZTVBBBBDM-LBPRGKRZSA-N 0 3 370.482 2.353 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000604521754 568308213 /nfs/dbraw/zinc/30/82/13/568308213.db2.gz XPWPPPIPNRSYAC-CGTJXYLNSA-N 0 3 359.470 2.486 20 30 FEEDHN C=CCNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000558880101 674519328 /nfs/dbraw/zinc/51/93/28/674519328.db2.gz RQFSMXOIJQAOJH-MRVPVSSYSA-N 0 3 365.238 2.167 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000561414202 674663987 /nfs/dbraw/zinc/66/39/87/674663987.db2.gz RAWYPPXSLAAWKN-UHFFFAOYSA-N 0 3 367.852 2.204 20 30 FEEDHN N#C[C@H](c1cccc(Cl)c1)N1CCN(C[C@H]2CCNC(=O)CC2)CC1 ZINC000562542255 674767293 /nfs/dbraw/zinc/76/72/93/674767293.db2.gz HFGOHNMIQKWDBN-CRAIPNDOSA-N 0 3 360.889 2.439 20 30 FEEDHN C#CCNC(=O)CCN(CCOC)Cc1cc(Br)cs1 ZINC000815102313 674918532 /nfs/dbraw/zinc/91/85/32/674918532.db2.gz HKTAPYIUNRZNJV-UHFFFAOYSA-N 0 3 359.289 2.099 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001047561773 674960725 /nfs/dbraw/zinc/96/07/25/674960725.db2.gz UPFZPECAOBJBIO-VJANTYMQSA-N 0 3 350.503 2.051 20 30 FEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001047634919 674962275 /nfs/dbraw/zinc/96/22/75/674962275.db2.gz OFXVOPMDRIYMDI-FSDCSDTHSA-N 0 3 350.409 2.148 20 30 FEEDHN CC[C@@H](CC#N)NC[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816570587 675065756 /nfs/dbraw/zinc/06/57/56/675065756.db2.gz ZLVWIJSFSZAKER-CABCVRRESA-N 0 3 352.479 2.032 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCN1CCCC1=O ZINC000078751607 670593359 /nfs/dbraw/zinc/59/33/59/670593359.db2.gz TZXSUQRTTODSEX-UHFFFAOYSA-N 0 3 363.531 2.207 20 30 FEEDHN N#CC(C(=O)COC[C@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000113653335 670886589 /nfs/dbraw/zinc/88/65/89/670886589.db2.gz CIURSDWAWVQIBL-NEPJUHHUSA-N 0 3 354.765 2.322 20 30 FEEDHN N#Cc1cc2c(nc1NCC1(N3CCSCC3)CCCC1)CCOC2 ZINC000578834452 671692274 /nfs/dbraw/zinc/69/22/74/671692274.db2.gz JPZMFJKZNWRSKO-UHFFFAOYSA-N 0 3 358.511 2.799 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000125172083 672007990 /nfs/dbraw/zinc/00/79/90/672007990.db2.gz WLKSRYMKEIXACC-OCCSQVGLSA-N 0 3 352.818 2.277 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000193425246 672724356 /nfs/dbraw/zinc/72/43/56/672724356.db2.gz BXXXOWXGJTWCPP-MWLCHTKSSA-N 0 3 359.209 2.232 20 30 FEEDHN N#CC(C(=O)c1cnn(CC(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000682499671 672765459 /nfs/dbraw/zinc/76/54/59/672765459.db2.gz XZKPSTTUVKXSII-LLVKDONJSA-N 0 3 352.320 2.253 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CCCC)[C@@H]1CCc2ncsc2C1 ZINC000592188381 672769418 /nfs/dbraw/zinc/76/94/18/672769418.db2.gz OIWHOJLXCKWGCZ-CYBMUJFWSA-N 0 3 350.488 2.114 20 30 FEEDHN CC[C@@]1(NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOC1 ZINC000683045623 672809774 /nfs/dbraw/zinc/80/97/74/672809774.db2.gz ZNZRDLXKOJMKMM-QGZVFWFLSA-N 0 3 354.372 2.332 20 30 FEEDHN CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCCN(C)C1 ZINC000593070465 672871778 /nfs/dbraw/zinc/87/17/78/672871778.db2.gz QJFKEVMYCYPFJZ-OAHLLOKOSA-N 0 3 350.260 2.416 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000594427857 673070900 /nfs/dbraw/zinc/07/09/00/673070900.db2.gz KMOMPYPSWYOMQN-MRXNPFEDSA-N 0 3 362.861 2.036 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NCCNc1cccc(Br)c1 ZINC000594443563 673072276 /nfs/dbraw/zinc/07/22/76/673072276.db2.gz RMZGDMKCUFJLHZ-AWEZNQCLSA-N 0 3 353.264 2.388 20 30 FEEDHN N#CCN1CCC(NCc2ccccc2I)CC1 ZINC000730578803 673284697 /nfs/dbraw/zinc/28/46/97/673284697.db2.gz PMBVOQSBBRNNFR-UHFFFAOYSA-N 0 3 355.223 2.369 20 30 FEEDHN COC(=O)C1CCN(CCCNC(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000537569480 673394796 /nfs/dbraw/zinc/39/47/96/673394796.db2.gz POLDTFDQTSXCOW-UHFFFAOYSA-N 0 3 363.845 2.217 20 30 FEEDHN C=CCCSCCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000596721633 673407272 /nfs/dbraw/zinc/40/72/72/673407272.db2.gz LVDVVUQYTGYQLS-LJQANCHMSA-N 0 3 363.527 2.232 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000598829350 673615153 /nfs/dbraw/zinc/61/51/53/673615153.db2.gz YZGMNXKFLZFXQR-VXGBXAGGSA-N 0 3 358.316 2.489 20 30 FEEDHN CN(C)CC1(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CCC1 ZINC000544866948 673737893 /nfs/dbraw/zinc/73/78/93/673737893.db2.gz XRWDPGQLEBOYGE-UHFFFAOYSA-N 0 3 372.288 2.083 20 30 FEEDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000601422576 673860084 /nfs/dbraw/zinc/86/00/84/673860084.db2.gz SWPIZEYKFQXVBI-QMTHXVAHSA-N 0 3 361.389 2.290 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000818593414 675226921 /nfs/dbraw/zinc/22/69/21/675226921.db2.gz YNZFYNDECFQHSN-UHFFFAOYSA-N 0 3 361.243 2.077 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000818599330 675227569 /nfs/dbraw/zinc/22/75/69/675227569.db2.gz KCCVABDVBZXQDG-HOTGVXAUSA-N 0 3 351.491 2.093 20 30 FEEDHN CC[C@H](CS(=O)(=O)c1ccccc1)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819187698 675267946 /nfs/dbraw/zinc/26/79/46/675267946.db2.gz QFCGSWDQWXEUEE-IEBWSBKVSA-N 0 3 358.463 2.434 20 30 FEEDHN C=CC[C@@H](CO)CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000567298662 675282327 /nfs/dbraw/zinc/28/23/27/675282327.db2.gz KUFQYHZKGNQIIR-IAGOWNOFSA-N 0 3 352.425 2.445 20 30 FEEDHN O=C(C#Cc1cccs1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000827919546 675787012 /nfs/dbraw/zinc/78/70/12/675787012.db2.gz KTDDUQHJSLHZKB-PKOBYXMFSA-N 0 3 354.475 2.099 20 30 FEEDHN C=CCOc1c(Cl)cc(CNCCNC(=O)c2ccn[nH]2)cc1OC ZINC000623487494 676537383 /nfs/dbraw/zinc/53/73/83/676537383.db2.gz DZSSFOLUBMZGJY-UHFFFAOYSA-N 0 3 364.833 2.156 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C#Cc1cccs1 ZINC000830069084 677023706 /nfs/dbraw/zinc/02/37/06/677023706.db2.gz IGZWCVQRZOEKMM-HXUWFJFHSA-N 0 3 354.475 2.195 20 30 FEEDHN C=CCN1CC[C@H](N(C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000839591517 680764394 /nfs/dbraw/zinc/76/43/94/680764394.db2.gz JPMVTPKCPIFABZ-HOTGVXAUSA-N 0 3 351.491 2.352 20 30 FEEDHN C#CCOc1ccc([C@@H](C)NCCNS(=O)(=O)c2ccccc2)cc1 ZINC000765409203 680841288 /nfs/dbraw/zinc/84/12/88/680841288.db2.gz NAEFBNSVPNHZQD-MRXNPFEDSA-N 0 3 358.463 2.328 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)C2(NC)CCC2)nc1C ZINC000912214808 685331697 /nfs/dbraw/zinc/33/16/97/685331697.db2.gz PLSSNWNJBUBYQF-UHFFFAOYSA-N 0 3 364.500 2.265 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000836395706 680463429 /nfs/dbraw/zinc/46/34/29/680463429.db2.gz XNHZTLYRKZMNLB-AWEZNQCLSA-N 0 3 366.868 2.312 20 30 FEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001047521412 680664895 /nfs/dbraw/zinc/66/48/95/680664895.db2.gz QLRMSCSNCJPTJG-OMNBBPDLSA-N 0 3 350.409 2.148 20 30 FEEDHN CCCn1cc(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nn1 ZINC000766623948 680883104 /nfs/dbraw/zinc/88/31/04/680883104.db2.gz WPHQUUCQVVMFNP-LLVKDONJSA-N 0 3 361.789 2.311 20 30 FEEDHN CCCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2snc(C)c2C#N)[C@@H]1C ZINC001051158895 681064886 /nfs/dbraw/zinc/06/48/86/681064886.db2.gz VLVCIOPYGVYJPB-KBMXLJTQSA-N 0 3 361.515 2.281 20 30 FEEDHN C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CCN2C(C)(C)C)cc1 ZINC000845738755 681149675 /nfs/dbraw/zinc/14/96/75/681149675.db2.gz CDJQTSJQTZFQPI-OAHLLOKOSA-N 0 3 366.483 2.181 20 30 FEEDHN C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CCN2C(C)(C)C)c1 ZINC000845739005 681149731 /nfs/dbraw/zinc/14/97/31/681149731.db2.gz DJGPXYFKAYHDFR-HNNXBMFYSA-N 0 3 366.483 2.181 20 30 FEEDHN C=CC1(CC(=O)N2CCCN(CC)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000932351771 681232508 /nfs/dbraw/zinc/23/25/08/681232508.db2.gz GQHAGOQXACRKBS-UHFFFAOYSA-N 0 3 351.491 2.354 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)NC(C)C)c1ccccc1Br ZINC000847624410 681407428 /nfs/dbraw/zinc/40/74/28/681407428.db2.gz PUODLWWTDUKCMI-RISCZKNCSA-N 0 3 353.216 2.370 20 30 FEEDHN O=C(CCN1CCC2(CC1)CC(=O)C=CO2)N1CCc2sccc2C1 ZINC000933652167 681445767 /nfs/dbraw/zinc/44/57/67/681445767.db2.gz GNBMMCBHOJCWAH-UHFFFAOYSA-N 0 3 360.479 2.361 20 30 FEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)[C@H]3OCC[C@H]3CC)CC2)C1 ZINC000949389347 681637595 /nfs/dbraw/zinc/63/75/95/681637595.db2.gz ZDDZQMIMDHSDMT-MSOLQXFVSA-N 0 3 350.503 2.461 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)CN(CC(C)C)CCO2 ZINC000949493086 681643697 /nfs/dbraw/zinc/64/36/97/681643697.db2.gz NWECHGOATRUHLE-ROUUACIJSA-N 0 3 350.503 2.317 20 30 FEEDHN C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000779355097 681708266 /nfs/dbraw/zinc/70/82/66/681708266.db2.gz ZGPWYSZSBNOFDR-GOEBONIOSA-N 0 3 351.447 2.347 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCOC(=O)C1CC1 ZINC000916409970 685524339 /nfs/dbraw/zinc/52/43/39/685524339.db2.gz NMWGQINVSYXWAF-UHFFFAOYSA-N 0 3 350.488 2.495 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)CN1c2ccccc2SCC1=O ZINC000916877691 685528449 /nfs/dbraw/zinc/52/84/49/685528449.db2.gz KTHJBFJDYUAJAJ-ZDUSSCGKSA-N 0 3 359.451 2.141 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000916921659 685528624 /nfs/dbraw/zinc/52/86/24/685528624.db2.gz WQMRFSCJUQTSPT-NSHDSACASA-N 0 3 374.447 2.010 20 30 FEEDHN CNC(=O)C(C#N)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000917001960 685528901 /nfs/dbraw/zinc/52/89/01/685528901.db2.gz CKTQDIBUPCRTFZ-CYBMUJFWSA-N 0 3 350.465 2.389 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cn(C)nc2Br)CC1 ZINC000917097918 685529608 /nfs/dbraw/zinc/52/96/08/685529608.db2.gz NFQGQCHJAXGLQC-UHFFFAOYSA-N 0 3 370.295 2.022 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)CCn1cc(Br)cn1 ZINC000917424737 685532069 /nfs/dbraw/zinc/53/20/69/685532069.db2.gz GFJYJPQZNQVKGN-GFCCVEGCSA-N 0 3 355.236 2.051 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](N3CCOC3=O)C2)cc1Cl ZINC000852435425 682277689 /nfs/dbraw/zinc/27/76/89/682277689.db2.gz OHKRUWAWAFIZDI-CQSZACIVSA-N 0 3 362.817 2.067 20 30 FEEDHN C#CCCN(CCOC)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000853422082 682412512 /nfs/dbraw/zinc/41/25/12/682412512.db2.gz JNTNFRDXCFQQKT-UHFFFAOYSA-N 0 3 353.532 2.029 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C ZINC000854663696 682576932 /nfs/dbraw/zinc/57/69/32/682576932.db2.gz DCTIHZCKDCZOLZ-HNNXBMFYSA-N 0 3 351.491 2.093 20 30 FEEDHN C#CCN(C(=O)NCC[C@H]1CC[C@H](C(F)(F)F)O1)C1CCN(C)CC1 ZINC000926295085 683105401 /nfs/dbraw/zinc/10/54/01/683105401.db2.gz YRJUHSCYWUXBMH-HUUCEWRRSA-N 0 3 361.408 2.225 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccccc1I ZINC000796792124 683195917 /nfs/dbraw/zinc/19/59/17/683195917.db2.gz IOAZRIZTABJGMN-NSHDSACASA-N 0 3 370.190 2.067 20 30 FEEDHN COC[C@]1(C)CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000860199003 683214784 /nfs/dbraw/zinc/21/47/84/683214784.db2.gz CWDKVGSJOZJWIP-ACJLOTCBSA-N 0 3 359.451 2.210 20 30 FEEDHN COCCN1CCC[C@H]1COC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000861037836 683336144 /nfs/dbraw/zinc/33/61/44/683336144.db2.gz LNQDYXYBFVBVIP-ZDUSSCGKSA-N 0 3 357.332 2.240 20 30 FEEDHN C#CCN(C(=O)NCCc1nc(C(F)(F)F)cs1)C1CCN(C)CC1 ZINC000920936905 683381251 /nfs/dbraw/zinc/38/12/51/683381251.db2.gz NLADWMADVJBNPM-UHFFFAOYSA-N 0 3 374.432 2.443 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-]Cc1cc(N(C)C)cc[nH+]1 ZINC000921017429 683387873 /nfs/dbraw/zinc/38/78/73/683387873.db2.gz IYVKAQOTODFADB-UHFFFAOYSA-N 0 3 358.467 2.256 20 30 FEEDHN O=C1Nc2ccc(F)c(Br)c2C1=NNCCN1CCCCC1 ZINC000863080490 683676952 /nfs/dbraw/zinc/67/69/52/683676952.db2.gz CLFXRFCFLFWAGV-UHFFFAOYSA-N 0 3 369.238 2.320 20 30 FEEDHN CN(CCCN1CCN(C)CC1)c1c(Br)cccc1C#N ZINC000865532321 683994153 /nfs/dbraw/zinc/99/41/53/683994153.db2.gz YQIBRDQTEOKZQA-UHFFFAOYSA-N 0 3 351.292 2.394 20 30 FEEDHN N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000866994068 684193116 /nfs/dbraw/zinc/19/31/16/684193116.db2.gz OCFLDBIUJSZOPU-KBXCAEBGSA-N 0 3 363.458 2.335 20 30 FEEDHN C[NH+]1CCC(C[N-]S(=O)(=O)c2ccc(C#N)o2)(c2ccccc2)CC1 ZINC000867705449 684356507 /nfs/dbraw/zinc/35/65/07/684356507.db2.gz GTGHWWVYTBJBEV-UHFFFAOYSA-N 0 3 359.451 2.093 20 30 FEEDHN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000868716297 684532396 /nfs/dbraw/zinc/53/23/96/684532396.db2.gz CEMGYRHRPDABOL-MCIONIFRSA-N 0 3 357.882 2.185 20 30 FEEDHN C=CCNC(=O)CN[C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872058299 684917323 /nfs/dbraw/zinc/91/73/23/684917323.db2.gz QTJJKTLYADPLQQ-CZUORRHYSA-N 0 3 353.260 2.419 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000876592523 686225853 /nfs/dbraw/zinc/22/58/53/686225853.db2.gz SVPGIUIVBBNSOJ-LSDHHAIUSA-N 0 3 367.877 2.191 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000876611280 686228630 /nfs/dbraw/zinc/22/86/30/686228630.db2.gz BSIQYMNDLQGNGW-OAHLLOKOSA-N 0 3 350.850 2.400 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000876621103 686229849 /nfs/dbraw/zinc/22/98/49/686229849.db2.gz VLVGFSBWDZMJMN-ONGXEEELSA-N 0 3 367.660 2.319 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000876693492 686245116 /nfs/dbraw/zinc/24/51/16/686245116.db2.gz WISLUPKXNHTTKI-GDBMZVCRSA-N 0 3 352.862 2.496 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000876890484 686288667 /nfs/dbraw/zinc/28/86/67/686288667.db2.gz AIIMLIFLZFSEBZ-HUUCEWRRSA-N 0 3 371.815 2.042 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2cccc(OC)c2F)CCOCC1 ZINC000877236060 686342338 /nfs/dbraw/zinc/34/23/38/686342338.db2.gz VLPYKPHBKQIIOH-CYBMUJFWSA-N 0 3 356.825 2.426 20 30 FEEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)[C@@H]1COCC12OCCO2 ZINC000877585737 686416106 /nfs/dbraw/zinc/41/61/06/686416106.db2.gz VLNYFYLNJAEYBK-AWEZNQCLSA-N 0 3 351.834 2.112 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]3CCNC(=O)[C@H]32)cc1Cl ZINC000880527860 687057894 /nfs/dbraw/zinc/05/78/94/687057894.db2.gz VTEWVTPACXFMQJ-SJCJKPOMSA-N 0 3 360.845 2.141 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]3CCNC(=O)[C@H]32)cc1Cl ZINC000880527859 687058027 /nfs/dbraw/zinc/05/80/27/687058027.db2.gz VTEWVTPACXFMQJ-PXAZEXFGSA-N 0 3 360.845 2.141 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNc2ncc(C#N)cc2Br)CC1 ZINC000881822048 687226369 /nfs/dbraw/zinc/22/63/69/687226369.db2.gz WYICBMHPTJDQLK-ZDUSSCGKSA-N 0 3 366.307 2.401 20 30 FEEDHN CC1(N2CCC2)CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000882767975 687480158 /nfs/dbraw/zinc/48/01/58/687480158.db2.gz KQVBKIAICGHHHI-UHFFFAOYSA-N 0 3 351.447 2.087 20 30 FEEDHN C=CCC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000883215789 687588921 /nfs/dbraw/zinc/58/89/21/687588921.db2.gz GCHWEBUPAAYMTG-SJORKVTESA-N 0 3 368.455 2.472 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3ccc(Br)cc31)C2 ZINC000884137461 687798020 /nfs/dbraw/zinc/79/80/20/687798020.db2.gz NCUHDDWCPXRRBU-UIORMTCPSA-N 0 3 360.255 2.478 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3ccc(Br)cc31)C2 ZINC000884137460 687798112 /nfs/dbraw/zinc/79/81/12/687798112.db2.gz NCUHDDWCPXRRBU-JZLYGMAVSA-N 0 3 360.255 2.478 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCNc1ncc(Cl)cc1Cl)C2 ZINC000884191563 687813240 /nfs/dbraw/zinc/81/32/40/687813240.db2.gz HIDZOTMYSSOLIH-CSJGVYOVSA-N 0 3 368.268 2.056 20 30 FEEDHN CN(CCCN(C)S(=O)(=O)c1ccc(C#N)cc1)Cc1ccncc1 ZINC000886425015 688253262 /nfs/dbraw/zinc/25/32/62/688253262.db2.gz OAAISFKUNRLMNT-UHFFFAOYSA-N 0 3 358.467 2.096 20 30 FEEDHN N#CC(C(=O)C[C@H]1CCNC1=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892496974 689204149 /nfs/dbraw/zinc/20/41/49/689204149.db2.gz UGLPFLGSKLYJBN-SCZZXKLOSA-N 0 3 354.193 2.167 20 30 FEEDHN N#Cc1csc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)n1 ZINC000893003191 689279298 /nfs/dbraw/zinc/27/92/98/689279298.db2.gz YZOSQIKMTFLPKO-INIZCTEOSA-N 0 3 355.467 2.479 20 30 FEEDHN N#Cc1c(Br)cccc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897220606 689990040 /nfs/dbraw/zinc/99/00/40/689990040.db2.gz CCHMAMXAQPPWDW-CVEARBPZSA-N 0 3 350.260 2.356 20 30 FEEDHN COc1ccc([C@H](CN(C)C)NC(=O)NCc2nc(C#N)cs2)cc1 ZINC000897275777 689998911 /nfs/dbraw/zinc/99/89/11/689998911.db2.gz SHUMDJDGDWKRBY-HNNXBMFYSA-N 0 3 359.455 2.125 20 30 FEEDHN C=C(C)C[C@@H](CO)NCCS(=O)(=O)c1cccc(Br)c1 ZINC000905451296 691120214 /nfs/dbraw/zinc/12/02/14/691120214.db2.gz JYUFQRMGDTUGGL-ZDUSSCGKSA-N 0 3 362.289 2.140 20 30 FEEDHN C=C(CCN(C)C)C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000908456954 691683016 /nfs/dbraw/zinc/68/30/16/691683016.db2.gz JZCASXDLXIDIRZ-UHFFFAOYSA-N 0 3 358.891 2.128 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@@H]3C2)cn1 ZINC001164762642 721200089 /nfs/dbraw/zinc/20/00/89/721200089.db2.gz DCBDZOJLMBGMJK-HKUYNNGSSA-N 0 3 362.481 2.134 20 30 FEEDHN Cc1ccc(CC#N)c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164763211 721210845 /nfs/dbraw/zinc/21/08/45/721210845.db2.gz DSLSEUPYYNSKMR-RBUKOAKNSA-N 0 3 350.470 2.148 20 30 FEEDHN COc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1C#N ZINC001164897312 721510068 /nfs/dbraw/zinc/51/00/68/721510068.db2.gz FRHFPGRRXUPYGE-FUHWJXTLSA-N 0 3 368.412 2.443 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000076218385 542246349 /nfs/dbraw/zinc/24/63/49/542246349.db2.gz CEZHIPIULLGNSL-NSHDSACASA-N 0 3 352.387 2.086 20 30 FEEDHN N#CC(C(=O)COc1ccsc1)C(=O)NCc1ccc(F)cc1F ZINC000800410583 674049902 /nfs/dbraw/zinc/04/99/02/674049902.db2.gz XHNUIVYPVVTZCQ-ZDUSSCGKSA-N 0 3 350.346 2.430 20 30 FEEDHN Cc1cc(NC(=O)CCN2CCCN(Cc3ccc(C#N)cc3)CC2)no1 ZINC000021406954 539682639 /nfs/dbraw/zinc/68/26/39/539682639.db2.gz OYEFTPGJFOGZGB-UHFFFAOYSA-N 0 3 367.453 2.391 20 30 FEEDHN CN(C)CCNC(=O)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000031461550 539908467 /nfs/dbraw/zinc/90/84/67/539908467.db2.gz QBFZMFMYQIYBAB-UHFFFAOYSA-N 0 3 364.449 2.421 20 30 FEEDHN N#CC(C(=O)c1cccc(OCC(N)=O)c1)c1ccc(C(F)(F)F)cn1 ZINC000041552728 540024663 /nfs/dbraw/zinc/02/46/63/540024663.db2.gz UDOSNBYKSXBDIX-ZDUSSCGKSA-N 0 3 363.295 2.455 20 30 FEEDHN N#CC(C(=O)c1ccccc1OCC(N)=O)c1ccc(C(F)(F)F)cn1 ZINC000041553047 540024796 /nfs/dbraw/zinc/02/47/96/540024796.db2.gz YYXXUJUEXZDPCY-LBPRGKRZSA-N 0 3 363.295 2.455 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000042393345 540062660 /nfs/dbraw/zinc/06/26/60/540062660.db2.gz VVZZZWRPHMDHSR-MOPGFXCFSA-N 0 3 361.530 2.450 20 30 FEEDHN CN(C)CCOc1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1 ZINC000045794033 540228019 /nfs/dbraw/zinc/22/80/19/540228019.db2.gz CBWQASBWUTXUNS-UHFFFAOYSA-N 0 3 352.438 2.498 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccnc1N1CCOCC1)C(C)C ZINC000047852059 540330765 /nfs/dbraw/zinc/33/07/65/540330765.db2.gz YWVHBWVAHKJIDW-LJQANCHMSA-N 0 3 372.513 2.347 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000050031835 540397454 /nfs/dbraw/zinc/39/74/54/540397454.db2.gz PJTDNMOAZZCLNH-UHFFFAOYSA-N 0 3 356.470 2.178 20 30 FEEDHN CCOCCCNC(=O)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000051738533 540442570 /nfs/dbraw/zinc/44/25/70/540442570.db2.gz PZPHEZLHOMOUGM-UHFFFAOYSA-N 0 3 359.470 2.192 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000056043078 540696485 /nfs/dbraw/zinc/69/64/85/540696485.db2.gz WMTRQWHZEKFZNW-UHFFFAOYSA-N 0 3 372.513 2.376 20 30 FEEDHN C=C(C)COc1cc(CN[C@H]2CCCN(S(C)(=O)=O)C2)ccc1OC ZINC000057969583 540825382 /nfs/dbraw/zinc/82/53/82/540825382.db2.gz FZXRFUSMAIQROB-INIZCTEOSA-N 0 3 368.499 2.164 20 30 FEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000062593761 541151419 /nfs/dbraw/zinc/15/14/19/541151419.db2.gz QJLSEWAMAKFJPA-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN COc1ccc(CNCCNC(=O)c2ccco2)cc1OCCCC#N ZINC000064613782 541212926 /nfs/dbraw/zinc/21/29/26/541212926.db2.gz YARJWDSHAKFDIA-UHFFFAOYSA-N 0 3 357.410 2.490 20 30 FEEDHN Cc1nn(C)c(C)c1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930718 541272431 /nfs/dbraw/zinc/27/24/31/541272431.db2.gz LJKOBASUERFAOG-UHFFFAOYSA-N 0 3 353.470 2.042 20 30 FEEDHN CN(C)Cc1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000066768280 541371472 /nfs/dbraw/zinc/37/14/72/541371472.db2.gz IQACNAJGKSBFBG-UHFFFAOYSA-N 0 3 363.465 2.414 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000067397560 541456465 /nfs/dbraw/zinc/45/64/65/541456465.db2.gz XHJAYNZGPCFRHK-JKSUJKDBSA-N 0 3 359.470 2.427 20 30 FEEDHN CCCC[NH+]1CCC(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000068443540 541593393 /nfs/dbraw/zinc/59/33/93/541593393.db2.gz LCBLWVVAIRJIDV-UHFFFAOYSA-N 0 3 358.486 2.177 20 30 FEEDHN COC(=O)[C@H]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000073108032 541918736 /nfs/dbraw/zinc/91/87/36/541918736.db2.gz YBQSNTCOYQAGJM-MOPGFXCFSA-N 0 3 371.481 2.428 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2ccsc2)n1 ZINC000074457581 542086285 /nfs/dbraw/zinc/08/62/85/542086285.db2.gz HFRZOSJFPQEWDK-SNVBAGLBSA-N 0 3 356.494 2.477 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000074659201 542110145 /nfs/dbraw/zinc/11/01/45/542110145.db2.gz NPMPQPUKMBJPRA-IRXDYDNUSA-N 0 3 357.502 2.192 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](CC(=O)OC)c2ccc(SC)cc2)CC1 ZINC000076831585 542324657 /nfs/dbraw/zinc/32/46/57/542324657.db2.gz FXSAATUQLUBNMB-GOSISDBHSA-N 0 3 374.506 2.474 20 30 FEEDHN C=CCNC(=O)c1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)nc1 ZINC000089644436 542767607 /nfs/dbraw/zinc/76/76/07/542767607.db2.gz KDGYSLQFSOIUBP-OALUTQOASA-N 0 3 366.465 2.045 20 30 FEEDHN O=C(C#Cc1ccc2c(c1)OCO2)Nc1cnn(CCN2CCCCC2)c1 ZINC000090819486 542788396 /nfs/dbraw/zinc/78/83/96/542788396.db2.gz NJMZOXBBCDRKIZ-UHFFFAOYSA-N 0 3 366.421 2.088 20 30 FEEDHN C=CCOc1ccc(CN(C)C[C@H](O)CN2CCOCC2)cc1Cl ZINC000093583012 542934840 /nfs/dbraw/zinc/93/48/40/542934840.db2.gz OGIAGDWHLBCXEO-INIZCTEOSA-N 0 3 354.878 2.030 20 30 FEEDHN CC[C@@H](CO)N1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000093740325 542938969 /nfs/dbraw/zinc/93/89/69/542938969.db2.gz RYDACLOPULXYJG-SFHVURJKSA-N 0 3 361.486 2.266 20 30 FEEDHN N#C[C@H]1CN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCO1 ZINC000247438987 549334193 /nfs/dbraw/zinc/33/41/93/549334193.db2.gz ZROTUOPRJMTAOB-DOTOQJQBSA-N 0 3 367.371 2.192 20 30 FEEDHN CCN(CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1CC1 ZINC000102065606 543058541 /nfs/dbraw/zinc/05/85/41/543058541.db2.gz RJURRRJGJWVQRD-UHFFFAOYSA-N 0 3 359.449 2.013 20 30 FEEDHN C=CCOc1cccc(NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1 ZINC000103577224 543114267 /nfs/dbraw/zinc/11/42/67/543114267.db2.gz QWSJIGSMAVYJGU-UHFFFAOYSA-N 0 3 374.485 2.269 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 ZINC000106034193 543186237 /nfs/dbraw/zinc/18/62/37/543186237.db2.gz YPKRRXBTDBRAFV-HXUWFJFHSA-N 0 3 369.509 2.377 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(CS(C)(=O)=O)c2)CC1 ZINC000106038948 543186291 /nfs/dbraw/zinc/18/62/91/543186291.db2.gz FKFKXUMRZVCFSP-UHFFFAOYSA-N 0 3 350.484 2.002 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(C(=O)OCC)CC2)CC1 ZINC000106335723 543224222 /nfs/dbraw/zinc/22/42/22/543224222.db2.gz ZDOXPFNPKWGBSV-UHFFFAOYSA-N 0 3 351.491 2.448 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc3cnccc32)CC1 ZINC000106349486 543224647 /nfs/dbraw/zinc/22/46/47/543224647.db2.gz GCQBWGKNUKEUPM-UHFFFAOYSA-N 0 3 352.438 2.330 20 30 FEEDHN CN(C)CCOc1ccccc1CNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000108399406 543289151 /nfs/dbraw/zinc/28/91/51/543289151.db2.gz VDCZCQMTLNYVRH-UHFFFAOYSA-N 0 3 373.478 2.118 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000109232987 543318909 /nfs/dbraw/zinc/31/89/09/543318909.db2.gz GSWVRXPUKMCFIJ-SFHVURJKSA-N 0 3 359.514 2.422 20 30 FEEDHN Cc1nc(CON=C(N)c2ccccc2CN2CCC(O)CC2)oc1C ZINC000109322385 543320910 /nfs/dbraw/zinc/32/09/10/543320910.db2.gz WNZQERBRYGBXGE-UHFFFAOYSA-N 0 3 358.442 2.085 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000109396500 543323181 /nfs/dbraw/zinc/32/31/81/543323181.db2.gz RYTLWWNQBSDOQO-CVEARBPZSA-N 0 3 359.449 2.060 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109399732 543324310 /nfs/dbraw/zinc/32/43/10/543324310.db2.gz BPVFMFZLHWTPIT-DLBZAZTESA-N 0 3 373.476 2.307 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000111883407 543423543 /nfs/dbraw/zinc/42/35/43/543423543.db2.gz CCWFBKQNODEHMC-GOSISDBHSA-N 0 3 370.501 2.049 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1cccc(C=O)c1 ZINC000113150762 543475868 /nfs/dbraw/zinc/47/58/68/543475868.db2.gz MYJHJGKFKNKMOV-UHFFFAOYSA-N 0 3 365.433 2.340 20 30 FEEDHN COc1ccc(CCCN[C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115598399 543577493 /nfs/dbraw/zinc/57/74/93/543577493.db2.gz UNXCAIZROKMEMA-IBGZPJMESA-N 0 3 353.422 2.324 20 30 FEEDHN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000117076620 543623039 /nfs/dbraw/zinc/62/30/39/543623039.db2.gz YWPSVIBESVWHMA-HNNXBMFYSA-N 0 3 361.511 2.297 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000118127394 543647631 /nfs/dbraw/zinc/64/76/31/543647631.db2.gz DGVIQEHYTDXPTC-KRWDZBQOSA-N 0 3 356.470 2.417 20 30 FEEDHN COc1cc(/C=C/C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1OCC#N ZINC000120911363 543686550 /nfs/dbraw/zinc/68/65/50/543686550.db2.gz OCYIDDPWPNRGEI-LKEBIXNSSA-N 0 3 357.454 2.409 20 30 FEEDHN Cc1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000120482557 543680897 /nfs/dbraw/zinc/68/08/97/543680897.db2.gz GWBYTAKBUQXBNL-NXVVXOECSA-N 0 3 364.243 2.374 20 30 FEEDHN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)N1CCCC1 ZINC000122840483 543726602 /nfs/dbraw/zinc/72/66/02/543726602.db2.gz CNOPZTODMXMBFB-INIZCTEOSA-N 0 3 362.861 2.387 20 30 FEEDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000122986453 543735827 /nfs/dbraw/zinc/73/58/27/543735827.db2.gz LLGSXRYSKJGCON-CHWSQXEVSA-N 0 3 353.875 2.459 20 30 FEEDHN CCn1cc(NC(=O)C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)cn1 ZINC000124449612 543822619 /nfs/dbraw/zinc/82/26/19/543822619.db2.gz KEXFAMFAHJBZGO-IBGZPJMESA-N 0 3 367.453 2.159 20 30 FEEDHN COc1cc(C#N)ccc1OCCN(C)CC(C)(C)CN1CCOCC1 ZINC000124206143 543806498 /nfs/dbraw/zinc/80/64/98/543806498.db2.gz NDMKPOQRTHDILH-UHFFFAOYSA-N 0 3 361.486 2.236 20 30 FEEDHN N#Cc1cc(F)c(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c(F)c1 ZINC000125263539 543870847 /nfs/dbraw/zinc/87/08/47/543870847.db2.gz FSLSWOBLQOODPD-AWEZNQCLSA-N 0 3 369.437 2.475 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CN1C1CC1 ZINC000127555681 544000319 /nfs/dbraw/zinc/00/03/19/544000319.db2.gz RYAOOKPUEPAEAE-GJZGRUSLSA-N 0 3 371.460 2.154 20 30 FEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000128489277 544055398 /nfs/dbraw/zinc/05/53/98/544055398.db2.gz AMUPJZRKJFYBJK-MRXNPFEDSA-N 0 3 360.433 2.263 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(C(=O)CC)c2)CC1 ZINC000136202416 544368766 /nfs/dbraw/zinc/36/87/66/544368766.db2.gz XTJNRTDKMHRYQY-UHFFFAOYSA-N 0 3 357.454 2.375 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000151097174 544505018 /nfs/dbraw/zinc/50/50/18/544505018.db2.gz QPIHPZBXMORLIS-CYBMUJFWSA-N 0 3 353.463 2.486 20 30 FEEDHN C=C(C)COc1cc(CN[C@@H]2CCc3nc(COC)nn3C2)ccc1OC ZINC000151520843 544551595 /nfs/dbraw/zinc/55/15/95/544551595.db2.gz QNUSNKOTNAWKDN-MRXNPFEDSA-N 0 3 372.469 2.493 20 30 FEEDHN CC(C)N1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc(F)cc1C#N)C2 ZINC000152107695 544614445 /nfs/dbraw/zinc/61/44/45/544614445.db2.gz TYISQBKPXXYMPY-JKSUJKDBSA-N 0 3 351.447 2.333 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(N2CCCCC2=O)CC1 ZINC000153233519 544749554 /nfs/dbraw/zinc/74/95/54/544749554.db2.gz RIGJZEJOTNKALC-UHFFFAOYSA-N 0 3 354.454 2.364 20 30 FEEDHN C[C@@H](O)C[C@H]1CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153162383 544740824 /nfs/dbraw/zinc/74/08/24/544740824.db2.gz WYXOMQLPXNFCQI-RHSMWYFYSA-N 0 3 368.399 2.408 20 30 FEEDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155197284 545000798 /nfs/dbraw/zinc/00/07/98/545000798.db2.gz WKMCLJJSASMSFJ-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN CS(=O)(=O)Nc1ccc(OCCNCc2ccc(C#N)s2)cc1 ZINC000180351001 327682343 /nfs/dbraw/zinc/68/23/43/327682343.db2.gz FFKZKNBFORFURF-UHFFFAOYSA-N 0 3 351.453 2.160 20 30 FEEDHN CC(C)(C)[C@@H](CCO)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000181465532 327732051 /nfs/dbraw/zinc/73/20/51/327732051.db2.gz LRILFBOKDNZLAQ-MRXNPFEDSA-N 0 3 355.442 2.069 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)cc1 ZINC000188168974 328070700 /nfs/dbraw/zinc/07/07/00/328070700.db2.gz RLYPGNGAUZGSFY-QFIPXVFZSA-N 0 3 363.461 2.196 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000189391240 328144913 /nfs/dbraw/zinc/14/49/13/328144913.db2.gz AWNSKZFIBCDYQQ-KRWDZBQOSA-N 0 3 354.454 2.282 20 30 FEEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190614920 328219706 /nfs/dbraw/zinc/21/97/06/328219706.db2.gz ZLPFPSMUSDRPBF-PBHICJAKSA-N 0 3 357.454 2.369 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCCC1 ZINC000192722546 328335360 /nfs/dbraw/zinc/33/53/60/328335360.db2.gz LQEHEICFRVOCHN-MRXNPFEDSA-N 0 3 373.501 2.290 20 30 FEEDHN CCO[C@@H]1C[C@@](CO)(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000192805220 328340588 /nfs/dbraw/zinc/34/05/88/328340588.db2.gz PXCANAUQYJCAET-OPYAIIAOSA-N 0 3 371.481 2.209 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000193974809 328404945 /nfs/dbraw/zinc/40/49/45/328404945.db2.gz CVWUYOUVYHJCPC-VOTSOKGWSA-N 0 3 352.482 2.057 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000057374947 324828273 /nfs/dbraw/zinc/82/82/73/324828273.db2.gz YRTHPFUYRJAGFL-LJQANCHMSA-N 0 3 372.513 2.423 20 30 FEEDHN Cn1cc(C#N)cc1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000081703385 325193044 /nfs/dbraw/zinc/19/30/44/325193044.db2.gz LNLMYRSEXWBVOA-UHFFFAOYSA-N 0 3 365.481 2.229 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000110520836 325688865 /nfs/dbraw/zinc/68/88/65/325688865.db2.gz NQJWWYXSMQSJGT-QGZVFWFLSA-N 0 3 357.454 2.423 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118810786 326104189 /nfs/dbraw/zinc/10/41/89/326104189.db2.gz DWSSAPCOVRQRHG-IAGOWNOFSA-N 0 3 357.502 2.192 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(Cc3ccc(C#N)s3)CC2)CC1 ZINC000119995364 326220276 /nfs/dbraw/zinc/22/02/76/326220276.db2.gz VCXNWWNZNZEOGY-UHFFFAOYSA-N 0 3 360.527 2.386 20 30 FEEDHN Cc1nc(SCC(=O)Nc2ccn(CCN(C)C)n2)c(C#N)c(C)c1C ZINC000120044256 326224567 /nfs/dbraw/zinc/22/45/67/326224567.db2.gz UZEMETDIDFYPRT-UHFFFAOYSA-N 0 3 372.498 2.367 20 30 FEEDHN Cn1ccnc1[C@H](O)C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000120419871 326257503 /nfs/dbraw/zinc/25/75/03/326257503.db2.gz JIIIPTFTCQIFKB-MRXNPFEDSA-N 0 3 373.482 2.127 20 30 FEEDHN CCC[C@H]1CN(CCC(=O)Nc2sccc2C#N)CCN1CCOC ZINC000121706882 326359845 /nfs/dbraw/zinc/35/98/45/326359845.db2.gz MWVGVRZARTUYNL-INIZCTEOSA-N 0 3 364.515 2.381 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c(F)c1 ZINC000121714923 326360799 /nfs/dbraw/zinc/36/07/99/326360799.db2.gz FXVWCZIKYHIUQC-RHSMWYFYSA-N 0 3 363.458 2.335 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCC1 ZINC000122877134 326412639 /nfs/dbraw/zinc/41/26/39/326412639.db2.gz ZAJLVPFPBOCOKY-MRXNPFEDSA-N 0 3 362.861 2.387 20 30 FEEDHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000123021456 326417734 /nfs/dbraw/zinc/41/77/34/326417734.db2.gz LMWNBVDWDKCBEB-UHFFFAOYSA-N 0 3 374.828 2.334 20 30 FEEDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000167170783 327084025 /nfs/dbraw/zinc/08/40/25/327084025.db2.gz ZUXHTKRWZFSNEZ-INIZCTEOSA-N 0 3 366.387 2.320 20 30 FEEDHN Cc1nc(CN2CCCN(CCCOc3ccc(C#N)cc3)CC2)no1 ZINC000170942847 327109093 /nfs/dbraw/zinc/10/90/93/327109093.db2.gz USWRQXOXAGHTCG-UHFFFAOYSA-N 0 3 355.442 2.227 20 30 FEEDHN N#Cc1ccccc1CSCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173495672 327261203 /nfs/dbraw/zinc/26/12/03/327261203.db2.gz NRJSDGDVHSBIAF-GOSISDBHSA-N 0 3 356.495 2.447 20 30 FEEDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000264746138 329055945 /nfs/dbraw/zinc/05/59/45/329055945.db2.gz UCLIWLQFJKKDNC-HOCLYGCPSA-N 0 3 363.458 2.143 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000265884918 329169538 /nfs/dbraw/zinc/16/95/38/329169538.db2.gz ZQUZPUGLGUZAOD-QGZVFWFLSA-N 0 3 357.454 2.184 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)CCCO ZINC000271787486 329725228 /nfs/dbraw/zinc/72/52/28/329725228.db2.gz KXMJNJSIYRFLOI-UHFFFAOYSA-N 0 3 360.502 2.430 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1N1CCCC1 ZINC000274147438 329920028 /nfs/dbraw/zinc/92/00/28/329920028.db2.gz XWVHLENJDBHVTD-HOTGVXAUSA-N 0 3 362.499 2.218 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccccc1CCN(C)C)c1ccc(C#N)cc1 ZINC000275615951 330070748 /nfs/dbraw/zinc/07/07/48/330070748.db2.gz MCRTXOVPHLMAOV-OAHLLOKOSA-N 0 3 364.449 2.478 20 30 FEEDHN N#Cc1ccc(OCCNC(=O)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000361450948 330204215 /nfs/dbraw/zinc/20/42/15/330204215.db2.gz QSPBJNMGFYFAAU-UHFFFAOYSA-N 0 3 364.449 2.360 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1F ZINC000805074398 674317176 /nfs/dbraw/zinc/31/71/76/674317176.db2.gz JIQVQNXJSZTKQV-VBQJREDUSA-N 0 3 365.836 2.316 20 30 FEEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271846181 518178198 /nfs/dbraw/zinc/17/81/98/518178198.db2.gz QQLJIQRPDVGYHM-RDTXWAMCSA-N 0 3 365.433 2.168 20 30 FEEDHN CC[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)N(C)C ZINC000158110668 545824272 /nfs/dbraw/zinc/82/42/72/545824272.db2.gz QWYFGKIGTCWJGN-SFHVURJKSA-N 0 3 351.454 2.095 20 30 FEEDHN CCN1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000159841673 545984853 /nfs/dbraw/zinc/98/48/53/545984853.db2.gz AOINVDFRUZDOLE-KRWDZBQOSA-N 0 3 373.476 2.403 20 30 FEEDHN N#CC1(CS(=O)(=O)NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000164965957 546152448 /nfs/dbraw/zinc/15/24/48/546152448.db2.gz UXUHJWQHNOVCKC-UHFFFAOYSA-N 0 3 353.513 2.183 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000171724762 546221607 /nfs/dbraw/zinc/22/16/07/546221607.db2.gz LRSOGNCLGYGAIX-GOSISDBHSA-N 0 3 369.465 2.074 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000171728907 546222357 /nfs/dbraw/zinc/22/23/57/546222357.db2.gz BPLWVIBPTVBCDD-QGZVFWFLSA-N 0 3 362.518 2.071 20 30 FEEDHN C=CCN1CCC(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000171722295 546222418 /nfs/dbraw/zinc/22/24/18/546222418.db2.gz YEIDRKDRUHZKRM-UHFFFAOYSA-N 0 3 350.850 2.228 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000171740155 546223632 /nfs/dbraw/zinc/22/36/32/546223632.db2.gz QQVKGTLNJDLHBD-UHFFFAOYSA-N 0 3 368.485 2.269 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000173275964 546277132 /nfs/dbraw/zinc/27/71/32/546277132.db2.gz MRWZENIVXDCIAC-UHFFFAOYSA-N 0 3 371.359 2.290 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)cn1 ZINC000479586051 561192668 /nfs/dbraw/zinc/19/26/68/561192668.db2.gz CBGBZIHCOKBPIZ-UHFFFAOYSA-N 0 3 355.417 2.366 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccnn1C(C)C)C(C)C ZINC000175846719 546361936 /nfs/dbraw/zinc/36/19/36/546361936.db2.gz WDCJDFPGKZLJJC-INIZCTEOSA-N 0 3 361.490 2.217 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](N3CCCC3)CC2)cc1 ZINC000176251175 546424732 /nfs/dbraw/zinc/42/47/32/546424732.db2.gz ZSWIGTGPJXWXCJ-GOSISDBHSA-N 0 3 361.511 2.282 20 30 FEEDHN N#CCSCC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000176845091 546496180 /nfs/dbraw/zinc/49/61/80/546496180.db2.gz ZQLWNUYFVLUOJB-UHFFFAOYSA-N 0 3 361.511 2.431 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCOC(F)(F)F)cc1 ZINC000481038319 561223592 /nfs/dbraw/zinc/22/35/92/561223592.db2.gz QRZHMUONMLYWMO-SECBINFHSA-N 0 3 365.333 2.030 20 30 FEEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000178028425 546724841 /nfs/dbraw/zinc/72/48/41/546724841.db2.gz AWWWKWOCZQANFI-HNNXBMFYSA-N 0 3 368.433 2.422 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1 ZINC000178537797 546809517 /nfs/dbraw/zinc/80/95/17/546809517.db2.gz YTLILGJXKNMKHX-KRWDZBQOSA-N 0 3 360.479 2.474 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(C#N)c2C)CC1=O ZINC000178625881 546822231 /nfs/dbraw/zinc/82/22/31/546822231.db2.gz BSRIZBVBJMJJPE-SJORKVTESA-N 0 3 354.454 2.138 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC1 ZINC000178831337 546857928 /nfs/dbraw/zinc/85/79/28/546857928.db2.gz NQSMYQZIMHRPTK-UHFFFAOYSA-N 0 3 365.499 2.046 20 30 FEEDHN N#Cc1ccccc1/C=C/C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000179486177 546963724 /nfs/dbraw/zinc/96/37/24/546963724.db2.gz AEFLCALIIUISLQ-HZYCFNBMSA-N 0 3 361.445 2.323 20 30 FEEDHN Cn1cc(CN2CCCN(c3cccnn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180092281 547049848 /nfs/dbraw/zinc/04/98/48/547049848.db2.gz UHFRHGUICODYPE-UHFFFAOYSA-N 0 3 373.464 2.461 20 30 FEEDHN N#Cc1cc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)ccc1F ZINC000180198613 547066930 /nfs/dbraw/zinc/06/69/30/547066930.db2.gz ZXVTWKMQMORYSV-UHFFFAOYSA-N 0 3 374.441 2.287 20 30 FEEDHN Cn1cc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180274240 547076313 /nfs/dbraw/zinc/07/63/13/547076313.db2.gz RDNWESQODWJSGS-KRWDZBQOSA-N 0 3 351.454 2.448 20 30 FEEDHN C=CCNC(=O)c1ccc(NCc2ccccc2CN2CC[C@H](O)C2)nc1 ZINC000181144872 547258379 /nfs/dbraw/zinc/25/83/79/547258379.db2.gz MAUAJRXHAOWUFP-IBGZPJMESA-N 0 3 366.465 2.176 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181640559 547350454 /nfs/dbraw/zinc/35/04/54/547350454.db2.gz BFQRYOQSJYGFEY-HZPDHXFCSA-N 0 3 362.493 2.309 20 30 FEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181640515 547350968 /nfs/dbraw/zinc/35/09/68/547350968.db2.gz BFQRYOQSJYGFEY-CVEARBPZSA-N 0 3 362.493 2.309 20 30 FEEDHN CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCCC1 ZINC000182668942 547530262 /nfs/dbraw/zinc/53/02/62/547530262.db2.gz VGZGDXYTNNMCEJ-LJQANCHMSA-N 0 3 358.461 2.409 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1C ZINC000182818696 547557120 /nfs/dbraw/zinc/55/71/20/547557120.db2.gz LTOBDCYZXBJNGG-MDZRGWNJSA-N 0 3 358.461 2.265 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(C)noc2-c2ccccc2)CC1 ZINC000184706882 547868839 /nfs/dbraw/zinc/86/88/39/547868839.db2.gz DXJGIVNWZVGNDC-UHFFFAOYSA-N 0 3 368.437 2.355 20 30 FEEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CNC(C)(C)CC(N)=O)c1C#N ZINC000186237464 548104500 /nfs/dbraw/zinc/10/45/00/548104500.db2.gz HWSQQIPNDUQAGB-UHFFFAOYSA-N 0 3 367.453 2.148 20 30 FEEDHN C#CCN1CCC(C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000186339759 548122139 /nfs/dbraw/zinc/12/21/39/548122139.db2.gz VHEXHODZQATVDC-NRFANRHFSA-N 0 3 353.510 2.455 20 30 FEEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)CC1(O)CCOCC1 ZINC000188831735 548288509 /nfs/dbraw/zinc/28/85/09/548288509.db2.gz HPGCMCSMXLIYDI-UHFFFAOYSA-N 0 3 354.454 2.437 20 30 FEEDHN COC(=O)[C@](C)(CN[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000189947224 548314200 /nfs/dbraw/zinc/31/42/00/548314200.db2.gz COGQYQFNTKGHDX-OXQOHEQNSA-N 0 3 371.481 2.438 20 30 FEEDHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000190563197 548328590 /nfs/dbraw/zinc/32/85/90/548328590.db2.gz NNHFAZOZSCWYMJ-OAHLLOKOSA-N 0 3 355.467 2.312 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000245511527 548937144 /nfs/dbraw/zinc/93/71/44/548937144.db2.gz YJZPOGQOFAEEOP-SJLPKXTDSA-N 0 3 357.454 2.048 20 30 FEEDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000250485323 549642261 /nfs/dbraw/zinc/64/22/61/549642261.db2.gz KVOUWBUQTCPQMC-QXAKKESOSA-N 0 3 373.497 2.315 20 30 FEEDHN C[C@@H](C(=O)N1CCCCC1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000253378265 549685040 /nfs/dbraw/zinc/68/50/40/549685040.db2.gz ZUMJDVBNIYCNSM-SFHVURJKSA-N 0 3 354.498 2.467 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000490507142 561434195 /nfs/dbraw/zinc/43/41/95/561434195.db2.gz HGLCEGBWLUESLM-CYBMUJFWSA-N 0 3 360.845 2.283 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000264367202 549994690 /nfs/dbraw/zinc/99/46/90/549994690.db2.gz QAPDIJZHWNTSPN-UHFFFAOYSA-N 0 3 372.513 2.315 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cc(OC)c(OC)cc2OC)CC1 ZINC000264383283 549995265 /nfs/dbraw/zinc/99/52/65/549995265.db2.gz IVAAFPBUFUSLMB-UHFFFAOYSA-N 0 3 363.458 2.162 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000265347365 550008863 /nfs/dbraw/zinc/00/88/63/550008863.db2.gz APPHSBUTOQMHMH-CYBMUJFWSA-N 0 3 360.483 2.230 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(CC)c(CC)n[nH]c1=O)C(C)C ZINC000268258212 550041485 /nfs/dbraw/zinc/04/14/85/550041485.db2.gz RZMPIXNLVQENRO-KRWDZBQOSA-N 0 3 360.502 2.323 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)N1CCCC1 ZINC000269086589 550153154 /nfs/dbraw/zinc/15/31/54/550153154.db2.gz JICMZSNOAGXBHW-MRXNPFEDSA-N 0 3 362.861 2.387 20 30 FEEDHN C=C(C)[C@H](CC(=O)NCCCN1CCN(c2ccncc2)CC1)OCC ZINC000270104344 550249576 /nfs/dbraw/zinc/24/95/76/550249576.db2.gz RFCABEYKRBXWJZ-IBGZPJMESA-N 0 3 360.502 2.081 20 30 FEEDHN COc1cccc(CN(CCC(=O)N(C)CCC#N)C[C@H]2CCCO2)c1 ZINC000271492976 550379566 /nfs/dbraw/zinc/37/95/66/550379566.db2.gz FSVBEJXJSDFAJK-LJQANCHMSA-N 0 3 359.470 2.438 20 30 FEEDHN C[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(OCC#N)cc1 ZINC000271850786 550405795 /nfs/dbraw/zinc/40/57/95/550405795.db2.gz RKKSLZFPPNIMQH-GOEBONIOSA-N 0 3 370.405 2.408 20 30 FEEDHN C[C@@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000272144848 550425200 /nfs/dbraw/zinc/42/52/00/550425200.db2.gz UCHAALCRNWGCOR-WBMJQRKESA-N 0 3 368.359 2.423 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1 ZINC000272329591 550438428 /nfs/dbraw/zinc/43/84/28/550438428.db2.gz KBKAUVKYJAWWGC-CVEARBPZSA-N 0 3 362.499 2.112 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272567947 550458185 /nfs/dbraw/zinc/45/81/85/550458185.db2.gz VAHVYWVYYAPCCB-SJORKVTESA-N 0 3 357.454 2.278 20 30 FEEDHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(C)(C#N)CC1 ZINC000272619716 550461216 /nfs/dbraw/zinc/46/12/16/550461216.db2.gz UORPPRUWURCOJX-IEBWSBKVSA-N 0 3 354.498 2.391 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NCc3cc4c(cc3O)OCO4)C2=O)cc1 ZINC000272629309 550461614 /nfs/dbraw/zinc/46/16/14/550461614.db2.gz XQNQUHPGXWFVMH-INIZCTEOSA-N 0 3 365.389 2.278 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN[C@H](CO)c2ccccc2)c(OC)c1 ZINC000273082337 550484379 /nfs/dbraw/zinc/48/43/79/550484379.db2.gz HSEZIYALUIHQPN-RTBURBONSA-N 0 3 357.450 2.487 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000273241879 550491294 /nfs/dbraw/zinc/49/12/94/550491294.db2.gz WVWOHXFBYCNBCQ-RDJZCZTQSA-N 0 3 358.442 2.141 20 30 FEEDHN CS[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1N1CCCC1 ZINC000273573041 550503623 /nfs/dbraw/zinc/50/36/23/550503623.db2.gz ZUBNYFGMSFQBGD-ZWKOTPCHSA-N 0 3 359.495 2.170 20 30 FEEDHN CS[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000275102443 550570737 /nfs/dbraw/zinc/57/07/37/550570737.db2.gz QVLWLCNKXQHWGQ-RBUKOAKNSA-N 0 3 372.538 2.445 20 30 FEEDHN C=CCNc1ncc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)s1 ZINC000275112255 550570763 /nfs/dbraw/zinc/57/07/63/550570763.db2.gz LQXGQLSQIXBFOF-JSGCOSHPSA-N 0 3 352.529 2.393 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCc3cc[nH]c(=O)c3C2)c(OC)c1 ZINC000277000851 550620310 /nfs/dbraw/zinc/62/03/10/550620310.db2.gz WHAZZLWTPRKAJT-KRWDZBQOSA-N 0 3 370.449 2.322 20 30 FEEDHN C[C@H](NS(=O)(=O)c1cccnc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000277006717 550621011 /nfs/dbraw/zinc/62/10/11/550621011.db2.gz INFYJVBFTMDBBO-DOTOQJQBSA-N 0 3 370.478 2.142 20 30 FEEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cccnc1C#N ZINC000277072343 550628689 /nfs/dbraw/zinc/62/86/89/550628689.db2.gz SRSKPVHAQMFANF-UHFFFAOYSA-N 0 3 372.494 2.486 20 30 FEEDHN C#CCOc1ccccc1CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278532179 550796114 /nfs/dbraw/zinc/79/61/14/550796114.db2.gz ZYLUNHPXMJSLSM-KRWDZBQOSA-N 0 3 371.481 2.093 20 30 FEEDHN C[C@](O)(CNCc1cn(CCC#N)nc1-c1ccncc1)C(F)(F)F ZINC000278656305 550808481 /nfs/dbraw/zinc/80/84/81/550808481.db2.gz MTMXEVAIGDQKGB-HNNXBMFYSA-N 0 3 353.348 2.262 20 30 FEEDHN N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)cc1 ZINC000279658433 550913647 /nfs/dbraw/zinc/91/36/47/550913647.db2.gz CUBROXKWYYWWKG-FQEVSTJZSA-N 0 3 352.482 2.219 20 30 FEEDHN C=CCc1ccc(OCC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c(OC)c1 ZINC000495551204 561489646 /nfs/dbraw/zinc/48/96/46/561489646.db2.gz UQLJNWILUPAPIS-MAUKXSAKSA-N 0 3 364.511 2.307 20 30 FEEDHN CC1([C@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)OCCO1 ZINC000280412326 550991006 /nfs/dbraw/zinc/99/10/06/550991006.db2.gz WOWFWNNMBZTBFF-ROUUACIJSA-N 0 3 353.422 2.242 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000280571465 551008921 /nfs/dbraw/zinc/00/89/21/551008921.db2.gz RFDBRGPHNBDDNX-UHFFFAOYSA-N 0 3 371.485 2.228 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000280739174 551027015 /nfs/dbraw/zinc/02/70/15/551027015.db2.gz WPSWCWQEHUSKHE-UHFFFAOYSA-N 0 3 353.422 2.346 20 30 FEEDHN CNC(=O)[C@]1(C)CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000281260597 551078829 /nfs/dbraw/zinc/07/88/29/551078829.db2.gz VKTBFAGKKRDTCJ-DYESRHJHSA-N 0 3 370.497 2.397 20 30 FEEDHN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000281580835 551115924 /nfs/dbraw/zinc/11/59/24/551115924.db2.gz YFMGJYVFKLPFRZ-MRXNPFEDSA-N 0 3 358.486 2.238 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000281642853 551124770 /nfs/dbraw/zinc/12/47/70/551124770.db2.gz MJBYACKYZUQYIY-KRWDZBQOSA-N 0 3 370.497 2.331 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cnn(CCOC)c1)C(C)C ZINC000282843064 551276617 /nfs/dbraw/zinc/27/66/17/551276617.db2.gz NFAGMZYANHLYAH-SFHVURJKSA-N 0 3 363.506 2.027 20 30 FEEDHN Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000283232256 551333189 /nfs/dbraw/zinc/33/31/89/551333189.db2.gz RUZHJDIGVQUVJJ-QGZVFWFLSA-N 0 3 366.469 2.330 20 30 FEEDHN C=CCN1CC[C@H](ON=C(N)c2ccccc2CN2CCCCC2)C1=O ZINC000283585739 551391818 /nfs/dbraw/zinc/39/18/18/551391818.db2.gz RNBRDUYVDCZLKA-SFHVURJKSA-N 0 3 356.470 2.096 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000284074695 551479331 /nfs/dbraw/zinc/47/93/31/551479331.db2.gz RONMEPRZHNRGFI-CRAIPNDOSA-N 0 3 356.470 2.116 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](CC)c2ccc(OC)cc2)CC1 ZINC000284153885 551493783 /nfs/dbraw/zinc/49/37/83/551493783.db2.gz NCSHXMNNDMCVCR-LJQANCHMSA-N 0 3 373.497 2.419 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(OC)cc2)CC1 ZINC000284235811 551506520 /nfs/dbraw/zinc/50/65/20/551506520.db2.gz UFBUSEICPFKSTI-OAHLLOKOSA-N 0 3 359.470 2.029 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000284444663 551550761 /nfs/dbraw/zinc/55/07/61/551550761.db2.gz ZOORVSRMBUWOCS-UHFFFAOYSA-N 0 3 370.497 2.143 20 30 FEEDHN Cc1onc(CC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1C#N ZINC000498530727 561527173 /nfs/dbraw/zinc/52/71/73/561527173.db2.gz XBMHEEZHEIDKKR-UHFFFAOYSA-N 0 3 352.438 2.350 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000499069383 561542484 /nfs/dbraw/zinc/54/24/84/561542484.db2.gz LVLASTYHGAPMNG-VCBZYWHSSA-N 0 3 354.458 2.361 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)c(F)cc2Cl)CC1 ZINC000499071836 561542522 /nfs/dbraw/zinc/54/25/22/561542522.db2.gz AVEIGFREPRBAKA-UHFFFAOYSA-N 0 3 353.825 2.493 20 30 FEEDHN C[C@](C#N)(NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)C1CC1 ZINC000286189080 551859019 /nfs/dbraw/zinc/85/90/19/551859019.db2.gz XLCAFJCSVRAORF-RCLSDMTESA-N 0 3 353.466 2.299 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCC2(c3ccccc3C)CC2)CC1 ZINC000286351479 551877457 /nfs/dbraw/zinc/87/74/57/551877457.db2.gz KWHMWDYWWMPXNU-UHFFFAOYSA-N 0 3 369.509 2.300 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000286422466 551884515 /nfs/dbraw/zinc/88/45/15/551884515.db2.gz FWZJCZCMZBGQLU-WMZOPIPTSA-N 0 3 355.482 2.158 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)[N-]CC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000286500174 551893387 /nfs/dbraw/zinc/89/33/87/551893387.db2.gz DHUJUKZXYLPLOE-UHFFFAOYSA-N 0 3 359.451 2.342 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000286735227 551920537 /nfs/dbraw/zinc/92/05/37/551920537.db2.gz RTPXBSUUZRYPEA-AZUAARDMSA-N 0 3 369.509 2.281 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@@H]2C)CC1 ZINC000286806896 551928100 /nfs/dbraw/zinc/92/81/00/551928100.db2.gz VIRFMUWSXHQANC-INIZCTEOSA-N 0 3 355.482 2.289 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)CC(C)(C)C)cc1 ZINC000287141909 551968608 /nfs/dbraw/zinc/96/86/08/551968608.db2.gz LRIGDZZZCBVPTC-JSGCOSHPSA-N 0 3 367.471 2.291 20 30 FEEDHN N#CC1(C(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CCCC1 ZINC000287198102 551975283 /nfs/dbraw/zinc/97/52/83/551975283.db2.gz HZNCBHDTBFIDMG-FQEVSTJZSA-N 0 3 366.509 2.489 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2CCO)cc1 ZINC000287402539 551999604 /nfs/dbraw/zinc/99/96/04/551999604.db2.gz SWAIGQXEUVPRIA-XJKCOSOUSA-N 0 3 365.455 2.045 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCO[C@H](C)C2)cc1 ZINC000287461998 552007343 /nfs/dbraw/zinc/00/73/43/552007343.db2.gz XPPFCKMUVOXMRK-DYEKYZERSA-N 0 3 351.428 2.061 20 30 FEEDHN C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C)C(C)(C)C ZINC000288436470 552153343 /nfs/dbraw/zinc/15/33/43/552153343.db2.gz PDPIPFQCFJTUDH-QGZVFWFLSA-N 0 3 359.470 2.038 20 30 FEEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000290317555 552459391 /nfs/dbraw/zinc/45/93/91/552459391.db2.gz VEYCMGURXUURHV-KRWDZBQOSA-N 0 3 360.433 2.263 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H](c1ccccc1)N(C)C ZINC000291247206 552605807 /nfs/dbraw/zinc/60/58/07/552605807.db2.gz JRDVGEPCOIGATQ-FZKQIMNGSA-N 0 3 368.412 2.443 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(CCC(=O)Nc3cc(N)ccc3F)C2)nc1 ZINC000292037262 552686975 /nfs/dbraw/zinc/68/69/75/552686975.db2.gz ADWBGUGUZHMGHJ-OAHLLOKOSA-N 0 3 369.400 2.156 20 30 FEEDHN CN1CC[C@]2(CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)C1 ZINC000292074539 552691025 /nfs/dbraw/zinc/69/10/25/552691025.db2.gz BVTAHGCYQLOHLT-NRFANRHFSA-N 0 3 370.472 2.468 20 30 FEEDHN N#Cc1ccc(CN2CCCN(C[C@@H](O)COCC(F)(F)F)CC2)cc1 ZINC000292545632 552736987 /nfs/dbraw/zinc/73/69/87/552736987.db2.gz WWBPVPJILQGEKI-QGZVFWFLSA-N 0 3 371.403 2.006 20 30 FEEDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)C2)C1 ZINC000292727133 552753117 /nfs/dbraw/zinc/75/31/17/552753117.db2.gz GGFBOEVJJFLGRF-INIZCTEOSA-N 0 3 353.875 2.318 20 30 FEEDHN COCCCN1CCC(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000293001486 552779123 /nfs/dbraw/zinc/77/91/23/552779123.db2.gz CYIFOORJBLHXHX-UHFFFAOYSA-N 0 3 370.375 2.203 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000293522225 552832239 /nfs/dbraw/zinc/83/22/39/552832239.db2.gz YMWYQDMSJWHHBW-AWEZNQCLSA-N 0 3 354.454 2.138 20 30 FEEDHN CN(CCC(=O)N(C)CCC#N)C[C@@H](O)c1ccccc1Br ZINC000295256325 552976727 /nfs/dbraw/zinc/97/67/27/552976727.db2.gz GKHWWDCBKAABBQ-OAHLLOKOSA-N 0 3 368.275 2.176 20 30 FEEDHN N#Cc1ccc(CNC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 ZINC000502035514 561610579 /nfs/dbraw/zinc/61/05/79/561610579.db2.gz XCBFZWJROUVXSN-SFTDATJTSA-N 0 3 360.461 2.247 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H](O)Cc2cccc(F)c2)cc1 ZINC000295636342 553037427 /nfs/dbraw/zinc/03/74/27/553037427.db2.gz SXCIZCQKIXZXMB-MJGOQNOKSA-N 0 3 351.381 2.099 20 30 FEEDHN CC(C)(C[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1)C(N)=O ZINC000295642936 553038446 /nfs/dbraw/zinc/03/84/46/553038446.db2.gz LMWUSPGCAUDHBM-QZTJIDSGSA-N 0 3 366.465 2.381 20 30 FEEDHN CC(C)(C[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1)C(N)=O ZINC000295642933 553038622 /nfs/dbraw/zinc/03/86/22/553038622.db2.gz LMWUSPGCAUDHBM-MSOLQXFVSA-N 0 3 366.465 2.381 20 30 FEEDHN N#C[C@@]1(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC12CCCC2 ZINC000295721266 553050097 /nfs/dbraw/zinc/05/00/97/553050097.db2.gz UHLPLUINPDKFHO-WIYYLYMNSA-N 0 3 353.466 2.343 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000502835791 561627100 /nfs/dbraw/zinc/62/71/00/561627100.db2.gz HMZASVBZGJGIOR-CVEARBPZSA-N 0 3 362.861 2.091 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000297484323 553298293 /nfs/dbraw/zinc/29/82/93/553298293.db2.gz MUUIWYAKUJCMPE-VAMGGRTRSA-N 0 3 355.482 2.156 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000298280358 553407478 /nfs/dbraw/zinc/40/74/78/553407478.db2.gz HMEKUURJAUVQFX-UHFFFAOYSA-N 0 3 373.497 2.153 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000299179181 553525960 /nfs/dbraw/zinc/52/59/60/553525960.db2.gz PJTBQWIRTMGHAI-LJQANCHMSA-N 0 3 357.498 2.044 20 30 FEEDHN N#CC1(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)CCCC1 ZINC000299646365 553595322 /nfs/dbraw/zinc/59/53/22/553595322.db2.gz UKCNNSVNVDGTGW-INIZCTEOSA-N 0 3 354.454 2.406 20 30 FEEDHN Cc1nnc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(C#N)c1C ZINC000302477322 553717879 /nfs/dbraw/zinc/71/78/79/553717879.db2.gz VPKWWSWMBBYQMG-HXUWFJFHSA-N 0 3 351.454 2.038 20 30 FEEDHN N#Cc1cc(NCCCN2CCC(O)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000302630330 553723615 /nfs/dbraw/zinc/72/36/15/553723615.db2.gz GMEXFCMSZGFAOR-UHFFFAOYSA-N 0 3 355.398 2.273 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN2CCC(N3CCCCC3)CC2)c1 ZINC000327096508 553785715 /nfs/dbraw/zinc/78/57/15/553785715.db2.gz APYLXAQHSOEFKB-UHFFFAOYSA-N 0 3 361.511 2.282 20 30 FEEDHN CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1 ZINC000328959232 553853270 /nfs/dbraw/zinc/85/32/70/553853270.db2.gz JYSFNHXMDXUUOS-FGTMMUONSA-N 0 3 359.518 2.136 20 30 FEEDHN C[C@H](C(=O)Nc1nccs1)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000328975994 553856988 /nfs/dbraw/zinc/85/69/88/553856988.db2.gz WHNGOZDELLMCGY-KFWWJZLASA-N 0 3 351.520 2.077 20 30 FEEDHN O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCCN(CC2CCC2)CC1 ZINC000329003634 553862820 /nfs/dbraw/zinc/86/28/20/553862820.db2.gz LWXSSCVLFQGMRX-UHFFFAOYSA-N 0 3 373.453 2.054 20 30 FEEDHN CN(C)C1(CNC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)CCC1 ZINC000329006559 553863285 /nfs/dbraw/zinc/86/32/85/553863285.db2.gz NBAZZCFZBHZZJX-QAPCUYQASA-N 0 3 373.501 2.303 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329046788 553871474 /nfs/dbraw/zinc/87/14/74/553871474.db2.gz VETVPUIARRSWSA-HYVNUMGLSA-N 0 3 350.484 2.288 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000329066221 553874457 /nfs/dbraw/zinc/87/44/57/553874457.db2.gz WMHIYEARLXDDMZ-SFNKJDCFSA-N 0 3 353.507 2.027 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)NCc3ccn(C)n3)CC2)C[C@H](C)O1 ZINC000329070677 553875018 /nfs/dbraw/zinc/87/50/18/553875018.db2.gz YOEFRBRFEOZYAG-IYBDPMFKSA-N 0 3 363.506 2.045 20 30 FEEDHN O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000329081664 553876952 /nfs/dbraw/zinc/87/69/52/553876952.db2.gz RVVUGBYNZJYIQY-WMLDXEAASA-N 0 3 363.483 2.033 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@@H]1N(C)C ZINC000329098377 553880162 /nfs/dbraw/zinc/88/01/62/553880162.db2.gz YSRNCSPUDOMJAZ-UONOGXRCSA-N 0 3 366.462 2.209 20 30 FEEDHN Cc1cc(C(=O)N(C)CC2CCN(C)CC2)nn1-c1cccc(C#N)c1 ZINC000506212335 561693285 /nfs/dbraw/zinc/69/32/85/561693285.db2.gz YCOOCTASKOFENJ-UHFFFAOYSA-N 0 3 351.454 2.466 20 30 FEEDHN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H](C)CN1CCCCC1 ZINC000329156931 553891554 /nfs/dbraw/zinc/89/15/54/553891554.db2.gz WAJJASUINVUYCC-PBHICJAKSA-N 0 3 363.506 2.199 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000329180513 553896748 /nfs/dbraw/zinc/89/67/48/553896748.db2.gz DMJINVJVZXFASD-QXAKKESOSA-N 0 3 359.470 2.416 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329201882 553900820 /nfs/dbraw/zinc/90/08/20/553900820.db2.gz CAIMTPQTFLVNRP-IAGOWNOFSA-N 0 3 365.522 2.045 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@]3(CCN(C)C3)C2)C1 ZINC000329205108 553902045 /nfs/dbraw/zinc/90/20/45/553902045.db2.gz DGUYKRJKXXHXSA-XLIONFOSSA-N 0 3 364.534 2.213 20 30 FEEDHN CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3C[C@H](N4CCCC4)C[C@@H]3C)c2C1 ZINC000329224061 553905914 /nfs/dbraw/zinc/90/59/14/553905914.db2.gz YZXJNPJBYRJZBP-USXIJHARSA-N 0 3 373.501 2.121 20 30 FEEDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCC(c2nnc3ccccn32)CC1 ZINC000329286034 553917759 /nfs/dbraw/zinc/91/77/59/553917759.db2.gz GQMSTQBCASSJQT-HNNXBMFYSA-N 0 3 354.458 2.059 20 30 FEEDHN O=C(CNC(=O)c1ccc(F)cc1F)N1CC[C@H](N2CCCCC2)C1 ZINC000329296897 553919635 /nfs/dbraw/zinc/91/96/35/553919635.db2.gz OXYRPZYTJDKWFV-AWEZNQCLSA-N 0 3 351.397 2.356 20 30 FEEDHN CC(=O)Nc1ncc(S(=O)(=O)[N-]C2CC[NH+](C3CCCC3)CC2)s1 ZINC000329311309 553923053 /nfs/dbraw/zinc/92/30/53/553923053.db2.gz ZPPNSTDIUHHPMF-UHFFFAOYSA-N 0 3 372.516 2.436 20 30 FEEDHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)nn1-c1cccc(C#N)c1 ZINC000506489077 561700074 /nfs/dbraw/zinc/70/00/74/561700074.db2.gz ULMPXMZLXKOXGG-QGZVFWFLSA-N 0 3 351.454 2.466 20 30 FEEDHN CCN1CCC(NC(=O)N(CC(=O)N2CCCCCC2)C(C)C)CC1 ZINC000329429021 553945259 /nfs/dbraw/zinc/94/52/59/553945259.db2.gz HTTFROYTKXERKG-UHFFFAOYSA-N 0 3 352.523 2.498 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329436687 553946670 /nfs/dbraw/zinc/94/66/70/553946670.db2.gz LXWVFWSPEVFGSE-SOLBZPMBSA-N 0 3 362.518 2.250 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)c2cc(C#N)ccn2)[C@@H]1c1cnn(C)c1 ZINC000506664826 561705372 /nfs/dbraw/zinc/70/53/72/561705372.db2.gz SRXWAEDZMSDKTK-QFBILLFUSA-N 0 3 366.469 2.232 20 30 FEEDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)[C@H]1CCn2cncc2C1 ZINC000329474312 553953268 /nfs/dbraw/zinc/95/32/68/553953268.db2.gz SSVDNCUVIHFMTH-KXBFYZLASA-N 0 3 354.454 2.169 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(C)[C@@H]2CN3CCC2CC3)C1 ZINC000329593714 553973928 /nfs/dbraw/zinc/97/39/28/553973928.db2.gz USXXOHLVQUAPJE-SJLPKXTDSA-N 0 3 364.534 2.211 20 30 FEEDHN C[C@H](NC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1)C1=CCN(C)CC1 ZINC000329707906 553993204 /nfs/dbraw/zinc/99/32/04/553993204.db2.gz LWBKMTMQJQGMEV-DZGCQCFKSA-N 0 3 363.893 2.468 20 30 FEEDHN CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)C3=CCN(C)CC3)ccc2c1=O ZINC000329715215 553994314 /nfs/dbraw/zinc/99/43/14/553994314.db2.gz URPXVSNWXSSIIF-GFCCVEGCSA-N 0 3 356.426 2.077 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000329770936 554003021 /nfs/dbraw/zinc/00/30/21/554003021.db2.gz JFKXUJXGISEXLB-SJORKVTESA-N 0 3 350.507 2.250 20 30 FEEDHN O=C(NCCc1cn2c(n1)SCC2)N1CCN(C2CCCCC2)CC1 ZINC000329840537 554016591 /nfs/dbraw/zinc/01/65/91/554016591.db2.gz JQWXIPGBTPINAT-UHFFFAOYSA-N 0 3 363.531 2.396 20 30 FEEDHN CN1CCO[C@@H](C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858652 554020367 /nfs/dbraw/zinc/02/03/67/554020367.db2.gz OEIISPCUCMAKIG-NVXWUHKLSA-N 0 3 360.458 2.352 20 30 FEEDHN O=C(NCCc1cn2c(n1)SCC2)[C@@H]1CCCN1C1CCOCC1 ZINC000329865004 554021341 /nfs/dbraw/zinc/02/13/41/554021341.db2.gz TVSJKLAOHMNOGY-HNNXBMFYSA-N 0 3 350.488 2.131 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000329923100 554032556 /nfs/dbraw/zinc/03/25/56/554032556.db2.gz GUNKZXZCAZQDMX-HUUCEWRRSA-N 0 3 365.478 2.355 20 30 FEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000329977871 554042889 /nfs/dbraw/zinc/04/28/89/554042889.db2.gz GNKOJYUNVVRUAR-JHNDHUHGSA-N 0 3 351.470 2.162 20 30 FEEDHN CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000330023112 554050674 /nfs/dbraw/zinc/05/06/74/554050674.db2.gz IFTCWYAOMAHQCD-IBGZPJMESA-N 0 3 364.534 2.357 20 30 FEEDHN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000330040177 554053635 /nfs/dbraw/zinc/05/36/35/554053635.db2.gz FRDBIKIQVBGOIW-ZENOOKHLSA-N 0 3 359.561 2.328 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000330089156 554062735 /nfs/dbraw/zinc/06/27/35/554062735.db2.gz VLWWWTUKABHVBM-SOLBZPMBSA-N 0 3 353.507 2.291 20 30 FEEDHN Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330126135 554069537 /nfs/dbraw/zinc/06/95/37/554069537.db2.gz MFBASHDPLPZPJH-RBUKOAKNSA-N 0 3 370.497 2.135 20 30 FEEDHN CN1CC[C@]2(CCN(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C2)C1 ZINC000330178368 554079121 /nfs/dbraw/zinc/07/91/21/554079121.db2.gz LOBVIJHOQCJHRM-NRFANRHFSA-N 0 3 370.497 2.233 20 30 FEEDHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)Nc1nc2c(s1)CCCC2 ZINC000330205230 554085080 /nfs/dbraw/zinc/08/50/80/554085080.db2.gz CHGFPSMRYDBWEK-AWEZNQCLSA-N 0 3 364.515 2.264 20 30 FEEDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](N2CCCC2)CC1 ZINC000330255123 554094081 /nfs/dbraw/zinc/09/40/81/554094081.db2.gz JTSJYKCWDUBQQH-GVDBMIGSSA-N 0 3 371.547 2.207 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330268708 554096682 /nfs/dbraw/zinc/09/66/82/554096682.db2.gz RIGFQBSONVZAAD-HZPDHXFCSA-N 0 3 351.491 2.187 20 30 FEEDHN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cn1 ZINC000330330361 554106519 /nfs/dbraw/zinc/10/65/19/554106519.db2.gz NGCIBIYWIUERDA-XYVMCAHJSA-N 0 3 363.506 2.357 20 30 FEEDHN CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000330458800 554124396 /nfs/dbraw/zinc/12/43/96/554124396.db2.gz ZEXUFICUBVVJBE-QGZVFWFLSA-N 0 3 352.523 2.117 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(=O)NCCC)C2)CC1 ZINC000330659695 554151948 /nfs/dbraw/zinc/15/19/48/554151948.db2.gz RKCXWJBWXLIFMY-INIZCTEOSA-N 0 3 350.507 2.179 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000330808201 554174042 /nfs/dbraw/zinc/17/40/42/554174042.db2.gz LZZKPTVTOQKCKX-NVXWUHKLSA-N 0 3 350.507 2.224 20 30 FEEDHN CC(C)N1C(=O)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(C)C ZINC000330979554 554196795 /nfs/dbraw/zinc/19/67/95/554196795.db2.gz IWGAAXQHRYNGOF-KRWDZBQOSA-N 0 3 352.438 2.098 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)c1 ZINC000332226086 554405070 /nfs/dbraw/zinc/40/50/70/554405070.db2.gz XIIHQRYLGKBEFV-CQSZACIVSA-N 0 3 360.845 2.237 20 30 FEEDHN CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000509816834 561815139 /nfs/dbraw/zinc/81/51/39/561815139.db2.gz BLBNPEVYIHCSBT-UHFFFAOYSA-N 0 3 360.433 2.360 20 30 FEEDHN CC(C#N)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000510421993 561834210 /nfs/dbraw/zinc/83/42/10/561834210.db2.gz ZTRQBYDCPHCPGS-WFASDCNBSA-N 0 3 355.360 2.355 20 30 FEEDHN Cc1nnc([C@H]2CCN([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119861 554575256 /nfs/dbraw/zinc/57/52/56/554575256.db2.gz HZTAIZCEQRZAES-XLMXBGDPSA-N 0 3 358.490 2.222 20 30 FEEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000333584567 554625479 /nfs/dbraw/zinc/62/54/79/554625479.db2.gz AMYMJVWHWXYKFD-HOBHPSKFSA-N 0 3 357.458 2.035 20 30 FEEDHN C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@H]1N1CCN(C)CC1 ZINC000362660265 554979344 /nfs/dbraw/zinc/97/93/44/554979344.db2.gz VSDSOFKIJSULDH-OXJNMPFZSA-N 0 3 353.514 2.294 20 30 FEEDHN C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000511771450 561880232 /nfs/dbraw/zinc/88/02/32/561880232.db2.gz RSEFBJHOXLDBCD-KURKYZTESA-N 0 3 354.498 2.464 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CCN(C)[C@@H](C)C3)C2)n1 ZINC000363170259 555044705 /nfs/dbraw/zinc/04/47/05/555044705.db2.gz FHGLPDIASIVVLW-YTQUADARSA-N 0 3 369.513 2.419 20 30 FEEDHN C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000363384687 555091590 /nfs/dbraw/zinc/09/15/90/555091590.db2.gz OCIUGFCZBUQPLV-OWCLPIDISA-N 0 3 355.486 2.300 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccc(-c3n[nH]c(C)n3)c2)CC1 ZINC000363432789 555104118 /nfs/dbraw/zinc/10/41/18/555104118.db2.gz PGUISTUUSYKTNA-UHFFFAOYSA-N 0 3 354.458 2.230 20 30 FEEDHN Cn1cccc1C(=O)NC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000363452710 555109109 /nfs/dbraw/zinc/10/91/09/555109109.db2.gz LAGKKENBJKURBO-UHFFFAOYSA-N 0 3 352.438 2.170 20 30 FEEDHN C=CCN(CC(=O)NC1(C#N)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364143367 555257925 /nfs/dbraw/zinc/25/79/25/555257925.db2.gz FURVHYYAYAWQPI-IBGZPJMESA-N 0 3 352.482 2.311 20 30 FEEDHN C=CCN(Cc1cc(=O)n2nccc2[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364155700 555259977 /nfs/dbraw/zinc/25/99/77/555259977.db2.gz GFPMFTDNEOIZEG-LJQANCHMSA-N 0 3 363.465 2.285 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000364186542 555265745 /nfs/dbraw/zinc/26/57/45/555265745.db2.gz XZZFGRMOSJLZED-IAGOWNOFSA-N 0 3 359.426 2.121 20 30 FEEDHN C=CCN(C(=O)N[C@@H](C)Cn1cncn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364294200 555286263 /nfs/dbraw/zinc/28/62/63/555286263.db2.gz TXTBQYWDCROSPY-PKOBYXMFSA-N 0 3 368.485 2.139 20 30 FEEDHN CCCn1nc2c(cc1=O)CN(CCCOc1ccc(C#N)cc1)CC2 ZINC000364361591 555299387 /nfs/dbraw/zinc/29/93/87/555299387.db2.gz LHEWEEJNPAACCB-UHFFFAOYSA-N 0 3 352.438 2.352 20 30 FEEDHN CN1CC[C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)[C@@H]1c1cccnc1 ZINC000364555764 555337570 /nfs/dbraw/zinc/33/75/70/555337570.db2.gz SNWRUNVSEYKCEP-RXVVDRJESA-N 0 3 364.449 2.336 20 30 FEEDHN C=CCOc1ccc(C(=O)N2CCCN(CC(C)(C)O)CC2)cc1OC ZINC000364592634 555347006 /nfs/dbraw/zinc/34/70/06/555347006.db2.gz SOUSLXCIMJFDNM-UHFFFAOYSA-N 0 3 362.470 2.179 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)OC)c3ccccc32)CC1 ZINC000364649936 555363174 /nfs/dbraw/zinc/36/31/74/555363174.db2.gz TVWWAIZNZCSAFI-MSOLQXFVSA-N 0 3 357.454 2.338 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CCCN(C)C3)C2)n1 ZINC000365768519 555663527 /nfs/dbraw/zinc/66/35/27/555663527.db2.gz HAMFLEXAHIAGHJ-ROUUACIJSA-N 0 3 355.486 2.031 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000366099758 555750765 /nfs/dbraw/zinc/75/07/65/555750765.db2.gz ZSONFHSQODXXJP-SFHVURJKSA-N 0 3 355.486 2.499 20 30 FEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000366452485 555848544 /nfs/dbraw/zinc/84/85/44/555848544.db2.gz HNTMUXUIGLCKIA-RXVVDRJESA-N 0 3 367.449 2.427 20 30 FEEDHN C=CCOCCNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000366785807 555933759 /nfs/dbraw/zinc/93/37/59/555933759.db2.gz RQOOYZAFDGVBBP-IRXDYDNUSA-N 0 3 353.507 2.110 20 30 FEEDHN CN1CCN(C[C@H]2CCCN(c3nc4c(cc3C#N)CCCC4)C2)CC1 ZINC000367342845 556023336 /nfs/dbraw/zinc/02/33/36/556023336.db2.gz RLZVYXAAFBPIBJ-QGZVFWFLSA-N 0 3 353.514 2.296 20 30 FEEDHN C=CCNc1ncc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)s1 ZINC000622185468 556243819 /nfs/dbraw/zinc/24/38/19/556243819.db2.gz DPPQDNJEUYPYDS-CQSZACIVSA-N 0 3 364.515 2.456 20 30 FEEDHN C[C@@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@H]1C ZINC000368732411 556400127 /nfs/dbraw/zinc/40/01/27/556400127.db2.gz JUGWEEDRPNDPDV-OAGGEKHMSA-N 0 3 355.486 2.617 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000368819121 556422116 /nfs/dbraw/zinc/42/21/16/556422116.db2.gz YJADKINUSHOORB-MOPGFXCFSA-N 0 3 371.481 2.022 20 30 FEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCN(c2ncccn2)CC1 ZINC000369302767 556568650 /nfs/dbraw/zinc/56/86/50/556568650.db2.gz MACMKUBOXIJPDR-GOSISDBHSA-N 0 3 374.448 2.158 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@H](N(C)C)C3)C2)n1 ZINC000369935750 556735006 /nfs/dbraw/zinc/73/50/06/556735006.db2.gz JIWYRLADANLQNL-MSOLQXFVSA-N 0 3 355.486 2.031 20 30 FEEDHN C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCCC[C@@H]1C ZINC000516564763 562048374 /nfs/dbraw/zinc/04/83/74/562048374.db2.gz GXZNYTIURGSWGM-DLBZAZTESA-N 0 3 370.501 2.048 20 30 FEEDHN CN(Cc1cc(F)ccc1C#N)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000370405565 556862624 /nfs/dbraw/zinc/86/26/24/556862624.db2.gz KDVRREGPURUXPT-UHFFFAOYSA-N 0 3 358.461 2.216 20 30 FEEDHN CN1CC[C@@H](NCC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000370730950 556952332 /nfs/dbraw/zinc/95/23/32/556952332.db2.gz RSAPHHQBFPSGGZ-CTNGQTDRSA-N 0 3 366.440 2.349 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CC1 ZINC000371825250 557304315 /nfs/dbraw/zinc/30/43/15/557304315.db2.gz QVBWTVVDDDLJCE-KRWDZBQOSA-N 0 3 373.522 2.347 20 30 FEEDHN COc1cc(CNC[C@H](O)COc2ccc(NC(C)=O)cc2)ccc1C#N ZINC000518760282 562117734 /nfs/dbraw/zinc/11/77/34/562117734.db2.gz QSRKDZNMHDBUCQ-SFHVURJKSA-N 0 3 369.421 2.055 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000372215686 557411716 /nfs/dbraw/zinc/41/17/16/557411716.db2.gz HYBAIOIZWDUNOW-GOSISDBHSA-N 0 3 351.454 2.292 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CNCc2c(C)nn(C)c2C)c(OC)c1 ZINC000519141347 562125694 /nfs/dbraw/zinc/12/56/94/562125694.db2.gz AOPSRLWBKSDFPO-QGZVFWFLSA-N 0 3 359.470 2.304 20 30 FEEDHN Cc1cc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000372378217 557454708 /nfs/dbraw/zinc/45/47/08/557454708.db2.gz PVRSQTRDHLEUSL-RHSMWYFYSA-N 0 3 366.469 2.999 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CNC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000372671965 557534416 /nfs/dbraw/zinc/53/44/16/557534416.db2.gz FTOYBWKXHLVVQP-NHCUHLMSSA-N 0 3 350.466 2.361 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccccc2CC#N)CC1=O ZINC000520426323 562156328 /nfs/dbraw/zinc/15/63/28/562156328.db2.gz FBUFFUUZSMWLNE-SJORKVTESA-N 0 3 354.454 2.024 20 30 FEEDHN O=C(CN1CCCC[C@@H](CO)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000374048501 557813858 /nfs/dbraw/zinc/81/38/58/557813858.db2.gz HEXALXVYYJKNDP-MRXNPFEDSA-N 0 3 368.399 2.268 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)ccc1C(F)(F)F ZINC000374462241 557887082 /nfs/dbraw/zinc/88/70/82/557887082.db2.gz LILXFXACRAZVDV-ZDUSSCGKSA-N 0 3 373.400 2.436 20 30 FEEDHN CCN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000375211183 557992715 /nfs/dbraw/zinc/99/27/15/557992715.db2.gz NUSBFMZHJBCDEW-FQEVSTJZSA-N 0 3 367.497 2.239 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc(CC#N)cc1 ZINC000375263221 558001017 /nfs/dbraw/zinc/00/10/17/558001017.db2.gz IECQNEQBNVDJKO-JOCHJYFZSA-N 0 3 363.461 2.462 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000375275033 558002953 /nfs/dbraw/zinc/00/29/53/558002953.db2.gz BZJPLJAWRHTQJK-GHTZIAJQSA-N 0 3 368.481 2.197 20 30 FEEDHN C[C@H]1C[C@@H](CNS(=O)(=O)c2cccnc2C#N)CN1Cc1ccccc1 ZINC000375440149 558027594 /nfs/dbraw/zinc/02/75/94/558027594.db2.gz YLRPOVXZKUUUTA-RDJZCZTQSA-N 0 3 370.478 2.142 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375471093 558033050 /nfs/dbraw/zinc/03/30/50/558033050.db2.gz PPQNTISZANVLSR-CVEARBPZSA-N 0 3 354.410 2.048 20 30 FEEDHN CC(C)(CCC#N)CN1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000375573072 558050966 /nfs/dbraw/zinc/05/09/66/558050966.db2.gz VCSHANNJZXGCPR-QGZVFWFLSA-N 0 3 373.501 2.047 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccnc2-n2cccn2)cc1 ZINC000375670839 558065202 /nfs/dbraw/zinc/06/52/02/558065202.db2.gz DPQIKSNKXZJTAL-SFHVURJKSA-N 0 3 356.389 2.138 20 30 FEEDHN Cc1nnc([C@H]2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574542 562178970 /nfs/dbraw/zinc/17/89/70/562178970.db2.gz NBQWXYJUZWOQPG-ZBFHGGJFSA-N 0 3 352.442 2.238 20 30 FEEDHN CC1(C)C(=O)N[C@H]1C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000521757614 562183183 /nfs/dbraw/zinc/18/31/83/562183183.db2.gz WPWSHMPPHCCZGH-SFHVURJKSA-N 0 3 354.454 2.123 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)CC1 ZINC000376755786 558217404 /nfs/dbraw/zinc/21/74/04/558217404.db2.gz OMOQXGYMIXXKSN-QUCCMNQESA-N 0 3 357.498 2.444 20 30 FEEDHN C[C@@H]1COCCN1CCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000522213882 562194404 /nfs/dbraw/zinc/19/44/04/562194404.db2.gz GUDBOFNMMLTFIR-QGZVFWFLSA-N 0 3 353.470 2.274 20 30 FEEDHN C=CCN(C(=O)c1cc2n(n1)CCO2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000377957482 558452114 /nfs/dbraw/zinc/45/21/14/558452114.db2.gz GLCDINWOUYQMKG-KRWDZBQOSA-N 0 3 352.438 2.178 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc32)CC1 ZINC000378229588 558507049 /nfs/dbraw/zinc/50/70/49/558507049.db2.gz GBPRAGATSJUMOV-IBGZPJMESA-N 0 3 365.481 2.365 20 30 FEEDHN C[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000378316994 558527739 /nfs/dbraw/zinc/52/77/39/558527739.db2.gz OMKLQQXVXAYFLP-VQIMIIECSA-N 0 3 372.538 2.400 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c1 ZINC000378447074 558559488 /nfs/dbraw/zinc/55/94/88/558559488.db2.gz ACPLNFVRSGLZCY-CRAIPNDOSA-N 0 3 357.454 2.133 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000409496825 558697797 /nfs/dbraw/zinc/69/77/97/558697797.db2.gz YUXWOCCBAMGZET-FUHWJXTLSA-N 0 3 364.515 2.109 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000409591888 558706459 /nfs/dbraw/zinc/70/64/59/558706459.db2.gz AGEBZUWNVJPQET-SFHVURJKSA-N 0 3 364.515 2.202 20 30 FEEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000410154503 558742584 /nfs/dbraw/zinc/74/25/84/558742584.db2.gz KFRJCQRNNLGFLK-INIZCTEOSA-N 0 3 366.531 2.296 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411494568 558905085 /nfs/dbraw/zinc/90/50/85/558905085.db2.gz SYWQQRBGPLWTNY-QAPCUYQASA-N 0 3 359.470 2.093 20 30 FEEDHN CC(C)OC[C@@H](CO)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411635445 558933313 /nfs/dbraw/zinc/93/33/13/558933313.db2.gz NFVYMOLGEQIBFL-CYBMUJFWSA-N 0 3 365.499 2.155 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000411800034 558965664 /nfs/dbraw/zinc/96/56/64/558965664.db2.gz YWVRQFCOBTYUIA-GUXCAODWSA-N 0 3 360.454 2.204 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCN1C ZINC000525852781 562257446 /nfs/dbraw/zinc/25/74/46/562257446.db2.gz CJQMHLVUVFWMDQ-FQXVJMBOSA-N 0 3 371.485 2.425 20 30 FEEDHN Cc1cc(NC2CCN(CCC(=O)N(C)C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413128439 559080998 /nfs/dbraw/zinc/08/09/98/559080998.db2.gz DENFCLYVRSIAEY-UHFFFAOYSA-N 0 3 359.430 2.130 20 30 FEEDHN C[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000413217144 559089338 /nfs/dbraw/zinc/08/93/38/559089338.db2.gz XQJYCUKJRREUTA-CZUORRHYSA-N 0 3 367.419 2.434 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000413521747 559113839 /nfs/dbraw/zinc/11/38/39/559113839.db2.gz ZOELAKGWBAXJBA-IBGZPJMESA-N 0 3 358.530 2.499 20 30 FEEDHN C[C@@H]1C[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@H](C)O1 ZINC000413738378 559127974 /nfs/dbraw/zinc/12/79/74/559127974.db2.gz APVPQKVFOSBGID-GJYPPUQNSA-N 0 3 358.486 2.445 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC000413922147 559140646 /nfs/dbraw/zinc/14/06/46/559140646.db2.gz KFXDWHPSQCESHO-QZTJIDSGSA-N 0 3 360.479 2.185 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413981240 559144829 /nfs/dbraw/zinc/14/48/29/559144829.db2.gz QEVRPPSWCZSERW-FQEVSTJZSA-N 0 3 360.498 2.359 20 30 FEEDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000415117908 559206201 /nfs/dbraw/zinc/20/62/01/559206201.db2.gz CPEDYBSVDYCZDZ-JOYOIKCWSA-N 0 3 354.357 2.394 20 30 FEEDHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000415378039 559228989 /nfs/dbraw/zinc/22/89/89/559228989.db2.gz GVOPDSSCJIUZDO-SFHVURJKSA-N 0 3 350.422 2.436 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000527161092 562278571 /nfs/dbraw/zinc/27/85/71/562278571.db2.gz LFCALLTVLHWGQQ-ROUUACIJSA-N 0 3 374.448 2.184 20 30 FEEDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000415504408 559244587 /nfs/dbraw/zinc/24/45/87/559244587.db2.gz WDYSNJNEUQTLDD-LBPRGKRZSA-N 0 3 372.347 2.029 20 30 FEEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415562103 559249926 /nfs/dbraw/zinc/24/99/26/559249926.db2.gz OINBOMNOANSIJL-LSDHHAIUSA-N 0 3 369.469 2.484 20 30 FEEDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416390828 559309608 /nfs/dbraw/zinc/30/96/08/559309608.db2.gz PSYQLPCKKIRKMQ-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(CC2(N(C)Cc3ccccc3)CCC2)C1=O ZINC000420011500 559468843 /nfs/dbraw/zinc/46/88/43/559468843.db2.gz YXMFTTWFEBDJHT-KRWDZBQOSA-N 0 3 357.454 2.164 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCC2(O)CCC2)cc1 ZINC000421106854 559524366 /nfs/dbraw/zinc/52/43/66/559524366.db2.gz KOFOFRGROHAROR-ZDUSSCGKSA-N 0 3 365.455 2.189 20 30 FEEDHN CCOC(=O)c1c(NC(=O)NCCN2CCCCC2)c(C#N)cn1CC ZINC000421165595 559528096 /nfs/dbraw/zinc/52/80/96/559528096.db2.gz MZBMUTKNBWXION-UHFFFAOYSA-N 0 3 361.446 2.164 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000422290659 559576088 /nfs/dbraw/zinc/57/60/88/559576088.db2.gz BJZVFTSRJLOHPS-FQEVSTJZSA-N 0 3 369.509 2.447 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000424098467 559654677 /nfs/dbraw/zinc/65/46/77/559654677.db2.gz CVFPZWSFGLDCNC-CABCVRRESA-N 0 3 366.259 2.370 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000424128420 559655576 /nfs/dbraw/zinc/65/55/76/559655576.db2.gz FIQXOEVQRFKPRO-MRXNPFEDSA-N 0 3 352.841 2.144 20 30 FEEDHN CC(C)(C)c1nc(CN2CCN(C(=O)[C@H](N)CCCC#N)CC2)cs1 ZINC000424137524 559655931 /nfs/dbraw/zinc/65/59/31/559655931.db2.gz SDDZLACICPWRKQ-OAHLLOKOSA-N 0 3 363.531 2.106 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000424139833 559655959 /nfs/dbraw/zinc/65/59/59/559655959.db2.gz FNVDNYFRZSLODN-SUMWQHHRSA-N 0 3 350.413 2.067 20 30 FEEDHN COc1cc2[nH]c(CCCNC(=O)[C@H](N)CCCC#N)cc2c(OC)c1 ZINC000424158719 559656454 /nfs/dbraw/zinc/65/64/54/559656454.db2.gz UIRSXYZQRDCGGY-MRXNPFEDSA-N 0 3 358.442 2.255 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000424178872 559656848 /nfs/dbraw/zinc/65/68/48/559656848.db2.gz XPVPWTBAZISQRW-KGLIPLIRSA-N 0 3 369.252 2.236 20 30 FEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000424326997 559661639 /nfs/dbraw/zinc/66/16/39/559661639.db2.gz MILPMTDLPCTFLN-YQQAZPJKSA-N 0 3 363.483 2.050 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000425368090 559698429 /nfs/dbraw/zinc/69/84/29/559698429.db2.gz VQWULCVHXJUANA-MRXNPFEDSA-N 0 3 350.470 2.293 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425373786 559698440 /nfs/dbraw/zinc/69/84/40/559698440.db2.gz NVTIFOZJVNWNGQ-RBUKOAKNSA-N 0 3 355.482 2.144 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000425468429 559703762 /nfs/dbraw/zinc/70/37/62/559703762.db2.gz DOXNWYOZOAJBSE-DLBZAZTESA-N 0 3 357.502 2.144 20 30 FEEDHN C=CCn1cc(CNC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000425866827 559723267 /nfs/dbraw/zinc/72/32/67/559723267.db2.gz BXMLNZYGZGMXPZ-LJQANCHMSA-N 0 3 368.485 2.270 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425874532 559723611 /nfs/dbraw/zinc/72/36/11/559723611.db2.gz RMLOTUPANMVMNN-CVEARBPZSA-N 0 3 356.470 2.068 20 30 FEEDHN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000427688630 559760373 /nfs/dbraw/zinc/76/03/73/559760373.db2.gz DFSLGZXAKVVQRK-INIZCTEOSA-N 0 3 372.469 2.060 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000428908829 559785762 /nfs/dbraw/zinc/78/57/62/559785762.db2.gz VKSUWEWBOAYVDO-IRXDYDNUSA-N 0 3 364.534 2.384 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000428999102 559787885 /nfs/dbraw/zinc/78/78/85/559787885.db2.gz LKCVUXXTSSLBAE-YQVWRLOYSA-N 0 3 367.511 2.100 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2cccnc2)cc1 ZINC000429948547 559809461 /nfs/dbraw/zinc/80/94/61/559809461.db2.gz WHWDMOXRYZZATO-ZDUSSCGKSA-N 0 3 358.423 2.132 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cnccc2-c2ccccc2)CC1 ZINC000430041218 559811666 /nfs/dbraw/zinc/81/16/66/559811666.db2.gz UNHIHEBSQOCIJY-UHFFFAOYSA-N 0 3 364.449 2.454 20 30 FEEDHN N#CCCn1cc(CN2CCC[C@H](CCC(N)=O)C2)c(-c2ccncc2)n1 ZINC000435135835 559916915 /nfs/dbraw/zinc/91/69/15/559916915.db2.gz VJOKZTQUPIVVTL-MRXNPFEDSA-N 0 3 366.469 2.336 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448601766 560192089 /nfs/dbraw/zinc/19/20/89/560192089.db2.gz XESFSEONGHBVGX-GDBMZVCRSA-N 0 3 374.872 2.165 20 30 FEEDHN CCN1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449189936 560219657 /nfs/dbraw/zinc/21/96/57/560219657.db2.gz VSZSHPSIVCIFPZ-UHFFFAOYSA-N 0 3 366.259 2.300 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000449549527 560233238 /nfs/dbraw/zinc/23/32/38/560233238.db2.gz YUKMUOFYHBHQCM-CVEARBPZSA-N 0 3 353.459 2.362 20 30 FEEDHN N#Cc1c(Br)cccc1OCC(=O)NCCN1CCCCC1 ZINC000449620474 560234985 /nfs/dbraw/zinc/23/49/85/560234985.db2.gz VUOUBJMMCUAKFZ-UHFFFAOYSA-N 0 3 366.259 2.302 20 30 FEEDHN CN(C)[C@@]1(CNC(=O)c2ccc(Br)cc2C#N)CCSC1 ZINC000450085827 560250217 /nfs/dbraw/zinc/25/02/17/560250217.db2.gz JOGYARRKZLQIHZ-OAHLLOKOSA-N 0 3 368.300 2.488 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1N(C)C ZINC000450265959 560256374 /nfs/dbraw/zinc/25/63/74/560256374.db2.gz MMMHQYKBIALQJD-OLZOCXBDSA-N 0 3 368.300 2.438 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCCC[C@H]1C ZINC000451046868 560284529 /nfs/dbraw/zinc/28/45/29/560284529.db2.gz AFJSHYWHXVGVJZ-KGLIPLIRSA-N 0 3 353.463 2.380 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000451614151 560317403 /nfs/dbraw/zinc/31/74/03/560317403.db2.gz PEILUCWIQKVADP-KFWWJZLASA-N 0 3 351.244 2.488 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000451703125 560323268 /nfs/dbraw/zinc/32/32/68/560323268.db2.gz DOCRMHOTMOEOHG-OALUTQOASA-N 0 3 356.514 2.448 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)C1 ZINC000453665629 560394757 /nfs/dbraw/zinc/39/47/57/560394757.db2.gz GUBHGGTYIYCGMR-LRDDRELGSA-N 0 3 362.861 2.189 20 30 FEEDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453714840 560399061 /nfs/dbraw/zinc/39/90/61/560399061.db2.gz QSHFJLRXDZKOON-CABCVRRESA-N 0 3 374.872 2.430 20 30 FEEDHN C=C(CC)CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000454042047 560424338 /nfs/dbraw/zinc/42/43/38/560424338.db2.gz ZANRMVWSFQCXKF-UHFFFAOYSA-N 0 3 358.486 2.158 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000454535962 560448684 /nfs/dbraw/zinc/44/86/84/560448684.db2.gz FZQONSYYJBJXIE-HOTGVXAUSA-N 0 3 370.497 2.302 20 30 FEEDHN C=CC[C@@H](CC)NC(=O)N1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000454912648 560463157 /nfs/dbraw/zinc/46/31/57/560463157.db2.gz NCFJYKVQMDKIEA-RTBURBONSA-N 0 3 364.534 2.317 20 30 FEEDHN C[C@@H](CO)N1CCCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455728360 560493219 /nfs/dbraw/zinc/49/32/19/560493219.db2.gz HEXDCECGTWSNPZ-ZDUSSCGKSA-N 0 3 350.850 2.326 20 30 FEEDHN CC(C#N)C(=O)N(CCN(C(=O)[C@H](C)C#N)C1CC1)Cc1ccccc1 ZINC000456698512 560529538 /nfs/dbraw/zinc/52/95/38/560529538.db2.gz MBKFJYSXVIUZKF-JKSUJKDBSA-N 0 3 352.438 2.326 20 30 FEEDHN CC(C#N)C(=O)N(CCN(Cc1ccccc1)C(=O)[C@@H](C)C#N)C1CC1 ZINC000456698512 560529539 /nfs/dbraw/zinc/52/95/39/560529539.db2.gz MBKFJYSXVIUZKF-JKSUJKDBSA-N 0 3 352.438 2.326 20 30 FEEDHN COc1ccc([C@@H](CO)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000458193256 560607856 /nfs/dbraw/zinc/60/78/56/560607856.db2.gz FKZBCVMPJXCLTR-RBUKOAKNSA-N 0 3 363.417 2.141 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000459866281 560714851 /nfs/dbraw/zinc/71/48/51/560714851.db2.gz SXRXAUJWQLONBF-UHFFFAOYSA-N 0 3 369.918 2.470 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460563389 560746277 /nfs/dbraw/zinc/74/62/77/560746277.db2.gz VHAGOEHYQDQKCW-ZACQAIPSSA-N 0 3 365.522 2.497 20 30 FEEDHN Cc1nsc(N2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)c1C#N ZINC000461187131 560763325 /nfs/dbraw/zinc/76/33/25/560763325.db2.gz BOWGNYSXHMJENX-UHFFFAOYSA-N 0 3 369.494 2.347 20 30 FEEDHN CCOCc1nc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)no1 ZINC000461231443 560764433 /nfs/dbraw/zinc/76/44/33/560764433.db2.gz XVQPWUDGWCMNLE-SWLSCSKDSA-N 0 3 353.382 2.037 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C ZINC000464420367 560841219 /nfs/dbraw/zinc/84/12/19/560841219.db2.gz PTEPWNAPEQHZRI-ZFWWWQNUSA-N 0 3 351.472 2.060 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000468013236 560921128 /nfs/dbraw/zinc/92/11/28/560921128.db2.gz DIVMJQVBDZAOMJ-RDJZCZTQSA-N 0 3 350.484 2.378 20 30 FEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000468478415 560930927 /nfs/dbraw/zinc/93/09/27/560930927.db2.gz BSJHFMBINNKWBG-KRWDZBQOSA-N 0 3 366.469 2.176 20 30 FEEDHN C=C[C@@](C)(O)CC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000469515365 560956789 /nfs/dbraw/zinc/95/67/89/560956789.db2.gz LZBIBERUJJWABZ-OAQYLSRUSA-N 0 3 359.514 2.341 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000469523005 560957170 /nfs/dbraw/zinc/95/71/70/560957170.db2.gz BRYMYWJBKLVIRY-LJQANCHMSA-N 0 3 364.449 2.307 20 30 FEEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000470547078 560984432 /nfs/dbraw/zinc/98/44/32/560984432.db2.gz BUICTPZZFYNJRO-SCLBCKFNSA-N 0 3 372.446 2.464 20 30 FEEDHN COC(=O)c1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000470750668 560988641 /nfs/dbraw/zinc/98/86/41/560988641.db2.gz XPBWMRQRNWTBAO-IBGZPJMESA-N 0 3 361.401 2.386 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNC(=O)CC2CCCCC2)cc1 ZINC000470895912 560993079 /nfs/dbraw/zinc/99/30/79/560993079.db2.gz BKKPXTXJIPLCFI-IBGZPJMESA-N 0 3 366.465 2.443 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@](C)(C(=O)OC)C1)C(C)C ZINC000470900296 560993246 /nfs/dbraw/zinc/99/32/46/560993246.db2.gz OTQZABMHPMQCNG-APWZRJJASA-N 0 3 351.491 2.280 20 30 FEEDHN CN(CC(=O)NCc1cccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472145089 561019269 /nfs/dbraw/zinc/01/92/69/561019269.db2.gz AVUDTYUHXFOOFN-INIZCTEOSA-N 0 3 366.446 2.077 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000472998333 561039858 /nfs/dbraw/zinc/03/98/58/561039858.db2.gz GBKBEODNHHTKFM-MOPGFXCFSA-N 0 3 364.534 2.458 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NCC(C)(C)N3CCCCC3)CC2)o1 ZINC000473291136 561046710 /nfs/dbraw/zinc/04/67/10/561046710.db2.gz CLMVFXFUSLVDDS-UHFFFAOYSA-N 0 3 373.501 2.452 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCN(C(C)=O)C1)C(C)C ZINC000474053338 561064551 /nfs/dbraw/zinc/06/45/51/561064551.db2.gz CWZIWFIUFAXNTO-OALUTQOASA-N 0 3 364.534 2.243 20 30 FEEDHN CN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474210686 561068404 /nfs/dbraw/zinc/06/84/04/561068404.db2.gz KOASWBYTZQFUHA-NRFANRHFSA-N 0 3 362.477 2.381 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000528427473 562328813 /nfs/dbraw/zinc/32/88/13/562328813.db2.gz ZEUNUTBHPKYYHF-WMZOPIPTSA-N 0 3 367.453 2.104 20 30 FEEDHN C[C@H](O)C[C@@H]1CCCCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504070 562332766 /nfs/dbraw/zinc/33/27/66/562332766.db2.gz GNJMKTBULBMAQQ-IRXDYDNUSA-N 0 3 354.450 2.302 20 30 FEEDHN C[C@@H](O)C[C@H]1CCCCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504064 562332954 /nfs/dbraw/zinc/33/29/54/562332954.db2.gz GNJMKTBULBMAQQ-IAGOWNOFSA-N 0 3 354.450 2.302 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000528522145 562333853 /nfs/dbraw/zinc/33/38/53/562333853.db2.gz SKENUGUFBQOYRL-AQNXPRMDSA-N 0 3 366.461 2.302 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCN3C3CCCC3)CC2)o1 ZINC000530026775 562394970 /nfs/dbraw/zinc/39/49/70/562394970.db2.gz IXAKARTYBNXHMG-QGZVFWFLSA-N 0 3 371.485 2.204 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000530230615 562403062 /nfs/dbraw/zinc/40/30/62/562403062.db2.gz BIOAEHLPTRUETH-RBUKOAKNSA-N 0 3 371.481 2.211 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCN(c2ccccc2F)C1 ZINC000530233353 562403179 /nfs/dbraw/zinc/40/31/79/562403179.db2.gz IBOGZTQSZULVHJ-SJORKVTESA-N 0 3 355.413 2.306 20 30 FEEDHN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000533289957 562504117 /nfs/dbraw/zinc/50/41/17/562504117.db2.gz HSWNPGCJBYHECG-QAPCUYQASA-N 0 3 373.501 2.404 20 30 FEEDHN C[C@@H](NC(=O)C(=O)NCc1ccc(CN(C)C)cc1)c1ccc(C#N)cc1 ZINC000550121161 562642981 /nfs/dbraw/zinc/64/29/81/562642981.db2.gz WXDUDJWAIIRMNE-OAHLLOKOSA-N 0 3 364.449 2.113 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(CS(C)(=O)=O)c1 ZINC000602531639 567988352 /nfs/dbraw/zinc/98/83/52/567988352.db2.gz WBBZXZYIFDTASK-HNNXBMFYSA-N 0 3 350.484 2.420 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCCN(C)S(=O)(=O)c1cccs1 ZINC000602574620 567996466 /nfs/dbraw/zinc/99/64/66/567996466.db2.gz KQEQJFRXPPHTAW-AWEZNQCLSA-N 0 3 371.528 2.057 20 30 FEEDHN C[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602858783 568003034 /nfs/dbraw/zinc/00/30/34/568003034.db2.gz VDXPJJUGBYWSDU-MBOZVWFJSA-N 0 3 354.498 2.488 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NCCCCN1CCN(C)CC1 ZINC000605985819 568063038 /nfs/dbraw/zinc/06/30/38/568063038.db2.gz MNHIWJZHCRDJBT-UHFFFAOYSA-N 0 3 374.529 2.420 20 30 FEEDHN CC(=O)c1cccc(OC[C@H](O)CNCCOc2ccc(C#N)cc2)c1 ZINC000569111623 568277908 /nfs/dbraw/zinc/27/79/08/568277908.db2.gz UPUZJMXDEDMHDD-GOSISDBHSA-N 0 3 354.406 2.169 20 30 FEEDHN C=CC(C)(C)CCNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000637008538 568301029 /nfs/dbraw/zinc/30/10/29/568301029.db2.gz QLEABGHRMSNFCZ-UHFFFAOYSA-N 0 3 372.513 2.128 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736136991 598559583 /nfs/dbraw/zinc/55/95/83/598559583.db2.gz VFYLSVYXPFBZIH-NSHDSACASA-N 0 3 367.438 2.479 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736136991 598559584 /nfs/dbraw/zinc/55/95/84/598559584.db2.gz VFYLSVYXPFBZIH-NSHDSACASA-N 0 3 367.438 2.479 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCC(=O)N2)cc1Cl ZINC000808979085 674476795 /nfs/dbraw/zinc/47/67/95/674476795.db2.gz FBMYWUXAGXFONP-CMPLNLGQSA-N 0 3 363.801 2.055 20 30 FEEDHN N#Cc1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822825725 606889807 /nfs/dbraw/zinc/88/98/07/606889807.db2.gz MVSFZJXEHSEKDO-LJQANCHMSA-N 0 3 360.421 2.436 20 30 FEEDHN N#Cc1ccc(C[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822825725 606889809 /nfs/dbraw/zinc/88/98/09/606889809.db2.gz MVSFZJXEHSEKDO-LJQANCHMSA-N 0 3 360.421 2.436 20 30 FEEDHN N#CCc1ccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826382703 609516708 /nfs/dbraw/zinc/51/67/08/609516708.db2.gz REJGNIQMZDCIAT-UHFFFAOYSA-N 0 3 373.464 2.251 20 30 FEEDHN C=CCCCCN1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000560208471 674572196 /nfs/dbraw/zinc/57/21/96/674572196.db2.gz CNTJPDDKQSJDNL-UHFFFAOYSA-N 0 3 365.543 2.247 20 30 FEEDHN COCC[C@H]1COCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000812889536 674704649 /nfs/dbraw/zinc/70/46/49/674704649.db2.gz TYJCEISDNWXPOA-UONOGXRCSA-N 0 3 359.451 2.210 20 30 FEEDHN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C[C@H]2CCNC(=O)CC2)CC1 ZINC000562542257 674767217 /nfs/dbraw/zinc/76/72/17/674767217.db2.gz HFGOHNMIQKWDBN-QAPCUYQASA-N 0 3 360.889 2.439 20 30 FEEDHN CC(=NNC(=S)NC1CCN(Cc2ccccc2)CC1)c1csnn1 ZINC000814727469 674876349 /nfs/dbraw/zinc/87/63/49/674876349.db2.gz PEYXPUGIWVEZBK-UHFFFAOYSA-N 0 3 374.539 2.391 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 ZINC000815860429 674978767 /nfs/dbraw/zinc/97/87/67/674978767.db2.gz KXPFCFJOMDLOQV-UHFFFAOYSA-N 0 3 355.360 2.024 20 30 FEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000074132512 670514896 /nfs/dbraw/zinc/51/48/96/670514896.db2.gz PTAXFAUQNZZQPX-UHFFFAOYSA-N 0 3 354.495 2.239 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@](O)(c2ccc(C)o2)C(F)(F)F)CC1 ZINC000091048717 670717028 /nfs/dbraw/zinc/71/70/28/670717028.db2.gz PSFPOHTUESXBGA-INIZCTEOSA-N 0 3 360.376 2.495 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CSc3ccccc32)nc1 ZINC000566120959 675183407 /nfs/dbraw/zinc/18/34/07/675183407.db2.gz ZZMGDFYSFQYBDU-CQSZACIVSA-N 0 3 359.476 2.206 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO ZINC000581487409 671902714 /nfs/dbraw/zinc/90/27/14/671902714.db2.gz MGMGTXNOKXOUMH-CQSZACIVSA-N 0 3 361.833 2.155 20 30 FEEDHN CN1CC[C@](O)(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000680831679 672605199 /nfs/dbraw/zinc/60/51/99/672605199.db2.gz KPPDZIADHIBZBA-IBGZPJMESA-N 0 3 355.463 2.336 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCCc1nc2ccccc2s1 ZINC000193416124 672723836 /nfs/dbraw/zinc/72/38/36/672723836.db2.gz HOUDEICODBEYAG-CYBMUJFWSA-N 0 3 359.451 2.481 20 30 FEEDHN CO[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000593031238 672865656 /nfs/dbraw/zinc/86/56/56/672865656.db2.gz YPEWOJUKUDEXKJ-OAHLLOKOSA-N 0 3 357.376 2.416 20 30 FEEDHN COCCNC(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Cl ZINC000594429295 673071014 /nfs/dbraw/zinc/07/10/14/673071014.db2.gz SGJDYFFQZQRXDR-OAHLLOKOSA-N 0 3 366.849 2.066 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000594433187 673071367 /nfs/dbraw/zinc/07/13/67/673071367.db2.gz MCXRBNOKGVCTKV-CABCVRRESA-N 0 3 362.861 2.363 20 30 FEEDHN Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H](N)CCCCC#N)CC2)s1 ZINC000594440350 673071633 /nfs/dbraw/zinc/07/16/33/673071633.db2.gz YFNYQESVWZZXOH-HNNXBMFYSA-N 0 3 362.499 2.189 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000594438957 673072018 /nfs/dbraw/zinc/07/20/18/673072018.db2.gz RISLWNCFAPGCLB-CXAGYDPISA-N 0 3 350.413 2.319 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000594444834 673073091 /nfs/dbraw/zinc/07/30/91/673073091.db2.gz DFSLKYATJVXXLC-GJZGRUSLSA-N 0 3 366.824 2.112 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000594446484 673073547 /nfs/dbraw/zinc/07/35/47/673073547.db2.gz UKKOOQUCEYIAEO-NSHDSACASA-N 0 3 355.341 2.044 20 30 FEEDHN O=C(NCCOC1CCCCC1)N1CCN(CC2CCOCC2)CC1 ZINC000329667806 673081222 /nfs/dbraw/zinc/08/12/22/673081222.db2.gz LPEVHJAPWMLRTK-UHFFFAOYSA-N 0 3 353.507 2.294 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000595948440 673343057 /nfs/dbraw/zinc/34/30/57/673343057.db2.gz KGFNMUVKVCPDFG-CYBMUJFWSA-N 0 3 352.232 2.191 20 30 FEEDHN CN(CCN1CCCC1=O)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000732984837 673392452 /nfs/dbraw/zinc/39/24/52/673392452.db2.gz GRIFIWWLDMSMNT-CYBMUJFWSA-N 0 3 356.451 2.027 20 30 FEEDHN C=CCCSCCNC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000596716241 673406991 /nfs/dbraw/zinc/40/69/91/673406991.db2.gz HAOJQHNUSKZDHX-KRWDZBQOSA-N 0 3 354.564 2.106 20 30 FEEDHN CC(C)[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)CCN1 ZINC000598571260 673585063 /nfs/dbraw/zinc/58/50/63/673585063.db2.gz IPTKVGCKJVAYRB-CQSZACIVSA-N 0 3 366.259 2.156 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000598939482 673623727 /nfs/dbraw/zinc/62/37/27/673623727.db2.gz HYOOWNZBBZASQS-CYBMUJFWSA-N 0 3 354.223 2.494 20 30 FEEDHN CCNc1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000599087276 673632425 /nfs/dbraw/zinc/63/24/25/673632425.db2.gz HQWVAEVLQXBCHI-UHFFFAOYSA-N 0 3 357.483 2.651 20 30 FEEDHN COc1cc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c(F)cc1C#N ZINC000599813950 673720061 /nfs/dbraw/zinc/72/00/61/673720061.db2.gz BOQIGJMZEQXKDJ-ZFWWWQNUSA-N 0 3 352.435 2.215 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1nnn(C)c1C ZINC000744028550 673779773 /nfs/dbraw/zinc/77/97/73/673779773.db2.gz JTERRFSQVXEJET-SNVBAGLBSA-N 0 3 361.789 2.055 20 30 FEEDHN CCNC(=O)CCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000744033781 673780279 /nfs/dbraw/zinc/78/02/79/673780279.db2.gz XNUMNUATUCXXEB-GFCCVEGCSA-N 0 3 365.817 2.302 20 30 FEEDHN N#CC1(C[C@@H](O)C[NH2+]Cc2ccc([O-])c(Br)c2)CCOCC1 ZINC000600728695 673794577 /nfs/dbraw/zinc/79/45/77/673794577.db2.gz QFHXFLQYISXWBA-CYBMUJFWSA-N 0 3 369.259 2.316 20 30 FEEDHN N#CC1(C[C@@H](O)CNCc2cccc3c2OC(F)(F)O3)CCOCC1 ZINC000600742976 673795988 /nfs/dbraw/zinc/79/59/88/673795988.db2.gz GQLPFPSWHRIWRQ-CYBMUJFWSA-N 0 3 354.353 2.169 20 30 FEEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600763961 673797250 /nfs/dbraw/zinc/79/72/50/673797250.db2.gz VBRLKWVWDFFPHB-TZMCWYRMSA-N 0 3 353.825 2.475 20 30 FEEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600763399 673797340 /nfs/dbraw/zinc/79/73/40/673797340.db2.gz VBRLKWVWDFFPHB-JSGCOSHPSA-N 0 3 353.825 2.475 20 30 FEEDHN C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000548633582 673982143 /nfs/dbraw/zinc/98/21/43/673982143.db2.gz WBAKOTVNBLVYOI-KBXCAEBGSA-N 0 3 360.889 2.310 20 30 FEEDHN C#CCN(C)CCCNC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000818615832 675228725 /nfs/dbraw/zinc/22/87/25/675228725.db2.gz WZZRULXKCJMOQN-MRXNPFEDSA-N 0 3 351.491 2.095 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)CC1 ZINC000568481659 675377324 /nfs/dbraw/zinc/37/73/24/675377324.db2.gz MWFUOLLKTIDSIM-ZBFHGGJFSA-N 0 3 365.499 2.271 20 30 FEEDHN C#C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1ccc(Cl)cc1F ZINC000820750084 675385010 /nfs/dbraw/zinc/38/50/10/675385010.db2.gz KEDHLQGRHAPUCV-YOEHRIQHSA-N 0 3 367.852 2.299 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000616419008 676249610 /nfs/dbraw/zinc/24/96/10/676249610.db2.gz HASOOBYQOBUHTL-CJNGLKHVSA-N 0 3 353.463 2.332 20 30 FEEDHN C#Cc1cccc(NC(=S)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000763307731 680779421 /nfs/dbraw/zinc/77/94/21/680779421.db2.gz ZPDOKOCCEKFFHP-QFBILLFUSA-N 0 3 356.539 2.323 20 30 FEEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCC[C@H]1C(=O)NC ZINC000765794103 680855416 /nfs/dbraw/zinc/85/54/16/680855416.db2.gz AILGZXIRLXFXMB-CABCVRRESA-N 0 3 365.271 2.465 20 30 FEEDHN C=CCNC(=O)CN1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832250035 680115970 /nfs/dbraw/zinc/11/59/70/680115970.db2.gz DKJWCKHBIVSDKN-JKSUJKDBSA-N 0 3 351.491 2.258 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3c(C)nsc3C)C[C@H]21 ZINC000978719140 680179564 /nfs/dbraw/zinc/17/95/64/680179564.db2.gz OTLPQMQPAPBATQ-XQZMSQOBSA-N 0 3 361.511 2.145 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C[C@H](O)C2CCCCC2)CC1 ZINC000981994922 680261253 /nfs/dbraw/zinc/26/12/53/680261253.db2.gz WCLXDSRIHIJOGJ-QYZOEREBSA-N 0 3 350.503 2.053 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(CCc2csc(C)n2)C1 ZINC001028549047 680374050 /nfs/dbraw/zinc/37/40/50/680374050.db2.gz KZOSKSNBIBDVJQ-JQHSSLGASA-N 0 3 363.527 2.413 20 30 FEEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001039135167 680462026 /nfs/dbraw/zinc/46/20/26/680462026.db2.gz DWEDQNVYRRLPNT-KBAYOESNSA-N 0 3 369.937 2.019 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000836489067 680476246 /nfs/dbraw/zinc/47/62/46/680476246.db2.gz UNPSMZMVVUKDJD-UHFFFAOYSA-N 0 3 358.273 2.055 20 30 FEEDHN CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ncc(C#N)cc2Cl)C1)N(C)C ZINC001043270910 680570950 /nfs/dbraw/zinc/57/09/50/680570950.db2.gz RYEYIMCELAVHGM-DAXOMENPSA-N 0 3 363.893 2.452 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000837360060 680592055 /nfs/dbraw/zinc/59/20/55/680592055.db2.gz JUKKDKUOAYJUKI-KRWDZBQOSA-N 0 3 350.894 2.197 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CN(CCCC2CCCC2)C[C@@H]1O ZINC001047533285 680665402 /nfs/dbraw/zinc/66/54/02/680665402.db2.gz GQRYXVTWNRZGBL-XWSJACJDSA-N 0 3 350.503 2.051 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@@H]1N(C)C ZINC000759992660 680674116 /nfs/dbraw/zinc/67/41/16/680674116.db2.gz IVLITRLFQYSHKH-DZGCQCFKSA-N 0 3 352.435 2.237 20 30 FEEDHN C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000845738754 681149693 /nfs/dbraw/zinc/14/96/93/681149693.db2.gz CDJQTSJQTZFQPI-HNNXBMFYSA-N 0 3 366.483 2.181 20 30 FEEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc1C ZINC000774054694 681166589 /nfs/dbraw/zinc/16/65/89/681166589.db2.gz LQLFYJFUZYYBAT-LBPRGKRZSA-N 0 3 357.391 2.492 20 30 FEEDHN C=CCN1CC[C@H](N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O ZINC000932709668 681294273 /nfs/dbraw/zinc/29/42/73/681294273.db2.gz XIGYMMBREBGZCV-JYJNAYRXSA-N 0 3 351.491 2.256 20 30 FEEDHN C[C@H](C#N)OCCN1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000932791292 681311324 /nfs/dbraw/zinc/31/13/24/681311324.db2.gz ATHYTKPQJRUDAW-CQSZACIVSA-N 0 3 353.463 2.015 20 30 FEEDHN C#CCN1CCN(C(=O)CNC2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000775538179 681313702 /nfs/dbraw/zinc/31/37/02/681313702.db2.gz IIMVQAXBCJWMKA-UHFFFAOYSA-N 0 3 359.901 2.476 20 30 FEEDHN C[C@H](C#N)OCCN1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC000933464156 681416702 /nfs/dbraw/zinc/41/67/02/681416702.db2.gz XRRDKIQQGQQJKH-OAHLLOKOSA-N 0 3 353.463 2.017 20 30 FEEDHN CN(C)[S@@](C)(=O)=NCC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000934758131 681624450 /nfs/dbraw/zinc/62/44/50/681624450.db2.gz CCULDUQBUODXNT-VWLOTQADSA-N 0 3 364.515 2.375 20 30 FEEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916911546 685528513 /nfs/dbraw/zinc/52/85/13/685528513.db2.gz MTIGZJFULYXQEW-NXEZZACHSA-N 0 3 363.830 2.297 20 30 FEEDHN C#C[C@](C)(CC)NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000852099951 682220063 /nfs/dbraw/zinc/22/00/63/682220063.db2.gz RVESGDZNKFFFSH-QGZVFWFLSA-N 0 3 369.296 2.429 20 30 FEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000917507984 685532610 /nfs/dbraw/zinc/53/26/10/685532610.db2.gz GCOOZSFQGPIGSG-LLVKDONJSA-N 0 3 357.753 2.467 20 30 FEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)s1 ZINC000969312186 682262674 /nfs/dbraw/zinc/26/26/74/682262674.db2.gz SEZOKZHAJUIJCK-FHLIZLRMSA-N 0 3 359.495 2.373 20 30 FEEDHN N#Cc1cc(CS(=O)(=O)NC[C@@H]2CCN2C2CCCCC2)cs1 ZINC000917980529 685536134 /nfs/dbraw/zinc/53/61/34/685536134.db2.gz SCAHDHHUQFOPTJ-HNNXBMFYSA-N 0 3 353.513 2.446 20 30 FEEDHN CC(C)NC(=O)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786531473 682384406 /nfs/dbraw/zinc/38/44/06/682384406.db2.gz POPOYJJFNSZEIO-OAHLLOKOSA-N 0 3 363.845 2.360 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C[C@H]21 ZINC000972339410 682407351 /nfs/dbraw/zinc/40/73/51/682407351.db2.gz FBYUJVLESWWMPF-NUEKZKHPSA-N 0 3 367.921 2.166 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCC2N=NC(=S)N2C(C)C)CC1 ZINC000853690256 682456844 /nfs/dbraw/zinc/45/68/44/682456844.db2.gz LUEZHJMBIHOKSU-UHFFFAOYSA-N 0 3 366.535 2.030 20 30 FEEDHN CN(CCn1cc(C#N)c(I)n1)Cc1ccccc1 ZINC000853726490 682461553 /nfs/dbraw/zinc/46/15/53/682461553.db2.gz WPFUHPZMRIYYPT-UHFFFAOYSA-N 0 3 366.206 2.491 20 30 FEEDHN C#CCN(C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CCN(C)CC1 ZINC000926402608 683120830 /nfs/dbraw/zinc/12/08/30/683120830.db2.gz JSNRGBYQLZCPOX-GJZGRUSLSA-N 0 3 361.408 2.225 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)c3ccc(C#N)cc3F)C2)CC1 ZINC000798466750 683353573 /nfs/dbraw/zinc/35/35/73/683353573.db2.gz SMHHKAOEIBOSCF-UHFFFAOYSA-N 0 3 351.447 2.194 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CNC[C@H](O)c1c(F)cccc1Cl ZINC000863564048 683742602 /nfs/dbraw/zinc/74/26/02/683742602.db2.gz SPMPABODWSRYLC-BBRMVZONSA-N 0 3 364.804 2.414 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]\CCCN2CCCS2(=O)=O)c([O-])c1 ZINC000864347463 683840714 /nfs/dbraw/zinc/84/07/14/683840714.db2.gz RBRNKRDRKNJLFJ-JXAWBTAJSA-N 0 3 353.488 2.083 20 30 FEEDHN FC1(F)[C@H]2CN(C[C@@H]3CNCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530826 684299716 /nfs/dbraw/zinc/29/97/16/684299716.db2.gz KERCIRBABOSFPM-XHNCKOQMSA-N 0 3 368.268 2.078 20 30 FEEDHN CN(C)Cc1ccc(S(=O)(=O)N(C)CCc2cccc(C#N)c2)cc1 ZINC000867699524 684355019 /nfs/dbraw/zinc/35/50/19/684355019.db2.gz WKFWRGHEBCXMIK-UHFFFAOYSA-N 0 3 357.479 2.483 20 30 FEEDHN CN(CCO)CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000925009666 684515980 /nfs/dbraw/zinc/51/59/80/684515980.db2.gz KIVZPKXQNXVZSD-UHFFFAOYSA-N 0 3 355.463 2.363 20 30 FEEDHN C#CCN(C(=O)NC[C@@H](CC)C(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000925692619 684578894 /nfs/dbraw/zinc/57/88/94/684578894.db2.gz OJZVDVMOFYCEPM-OAHLLOKOSA-N 0 3 351.491 2.093 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2[nH]nc3cnc(Br)cc32)CC1 ZINC000869772130 684653947 /nfs/dbraw/zinc/65/39/47/684653947.db2.gz LKPMJTGNTBURQA-UHFFFAOYSA-N 0 3 362.231 2.004 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000870135663 684687069 /nfs/dbraw/zinc/68/70/69/684687069.db2.gz BJRIHXONLIDCRN-WPGHFRTFSA-N 0 3 350.802 2.429 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000871008350 684779454 /nfs/dbraw/zinc/77/94/54/684779454.db2.gz RZAXCHBWMNZAGF-FZMZJTMJSA-N 0 3 366.259 2.280 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000876568208 686221501 /nfs/dbraw/zinc/22/15/01/686221501.db2.gz VVKASCHNSYEAFQ-JSGCOSHPSA-N 0 3 351.834 2.004 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCC(=O)N(CC)CC)c1 ZINC000876582977 686224521 /nfs/dbraw/zinc/22/45/21/686224521.db2.gz CQIMDLDYIMRDHI-HNNXBMFYSA-N 0 3 353.850 2.342 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000876593866 686225832 /nfs/dbraw/zinc/22/58/32/686225832.db2.gz JGBHBJBUMAOWSE-MRXNPFEDSA-N 0 3 367.852 2.150 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000876655257 686237367 /nfs/dbraw/zinc/23/73/67/686237367.db2.gz XZKRZZXWWQVBRL-KRWDZBQOSA-N 0 3 352.862 2.468 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000876890483 686288398 /nfs/dbraw/zinc/28/83/98/686288398.db2.gz AIIMLIFLZFSEBZ-GJZGRUSLSA-N 0 3 371.815 2.042 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000877011085 686309709 /nfs/dbraw/zinc/30/97/09/686309709.db2.gz WLDPXAJMBIGPMP-LLVKDONJSA-N 0 3 357.863 2.106 20 30 FEEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)[C@H]1COCC12OCCO2 ZINC000877585738 686416192 /nfs/dbraw/zinc/41/61/92/686416192.db2.gz VLNYFYLNJAEYBK-CQSZACIVSA-N 0 3 351.834 2.112 20 30 FEEDHN CN1CCC2(CC1)CCN(CCS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000879250641 686779841 /nfs/dbraw/zinc/77/98/41/686779841.db2.gz XRSFWHRDVXPTGZ-UHFFFAOYSA-N 0 3 361.511 2.140 20 30 FEEDHN CO[C@@H]1COCC[C@H]1N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000880433369 687048384 /nfs/dbraw/zinc/04/83/84/687048384.db2.gz NKEZFXAOAFGHEW-XNRPHZJLSA-N 0 3 359.451 2.208 20 30 FEEDHN CO[C@@H]1COCC[C@H]1N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000880433368 687048413 /nfs/dbraw/zinc/04/84/13/687048413.db2.gz NKEZFXAOAFGHEW-JGGQBBKZSA-N 0 3 359.451 2.208 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(N3CCSCC3)cc1)C2 ZINC000884223286 687822800 /nfs/dbraw/zinc/82/28/00/687822800.db2.gz MYLKWWHWUJJJLS-HVEKOLDVSA-N 0 3 356.495 2.318 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CCN(CCCOCC(F)(F)F)CC2)CCC1 ZINC000885964646 688187539 /nfs/dbraw/zinc/18/75/39/688187539.db2.gz DMCXZSQOHIXBED-OAHLLOKOSA-N 0 3 363.424 2.018 20 30 FEEDHN C#CCN(C(=O)CCc1c(C)nc(SC)nc1C)C1CCN(C)CC1 ZINC000886587454 688280482 /nfs/dbraw/zinc/28/04/82/688280482.db2.gz WZUKCKQLGDZXLB-UHFFFAOYSA-N 0 3 360.527 2.304 20 30 FEEDHN N#CC(C(=O)C[C@H]1CCNC1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000892499165 689204538 /nfs/dbraw/zinc/20/45/38/689204538.db2.gz SOGIRRUMDZMOEJ-PELKAZGASA-N 0 3 354.193 2.167 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC[C@H]2C[C@@H]2CCCO2)CC1 ZINC000892850299 689253216 /nfs/dbraw/zinc/25/32/16/689253216.db2.gz GKMGNKFKHDGXAP-MSOLQXFVSA-N 0 3 351.491 2.006 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1nc(C#N)cs1 ZINC000894231969 689491359 /nfs/dbraw/zinc/49/13/59/689491359.db2.gz AOXKLFWLWMGWJO-XJKSGUPXSA-N 0 3 355.467 2.334 20 30 FEEDHN C#CCN(C(=O)c1ccc(OC)cc1OC(F)F)C1CCN(C)CC1 ZINC000906452589 691270081 /nfs/dbraw/zinc/27/00/81/691270081.db2.gz WERSAGKBSQGWOT-UHFFFAOYSA-N 0 3 352.381 2.466 20 30 FEEDHN C=C(CCN(C)C)C(=O)N[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000907955831 691589522 /nfs/dbraw/zinc/58/95/22/691589522.db2.gz ZWGBZZAKEZEHCT-DOTOQJQBSA-N 0 3 352.500 2.093 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@@H]3C2)cn1 ZINC001164771483 721186835 /nfs/dbraw/zinc/18/68/35/721186835.db2.gz QLHHQIYLPBVFJL-HOTGVXAUSA-N 0 3 361.453 2.126 20 30 FEEDHN CNC(=O)C1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000029163781 539845433 /nfs/dbraw/zinc/84/54/33/539845433.db2.gz TYBGTHMKYMTWLJ-UHFFFAOYSA-N 0 3 374.510 2.285 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000029820688 539865325 /nfs/dbraw/zinc/86/53/25/539865325.db2.gz YROXLTRLTOTOCT-GDBMZVCRSA-N 0 3 359.474 2.014 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1sccc1C#N)N(C)Cc1ccccc1 ZINC000550380104 674092334 /nfs/dbraw/zinc/09/23/34/674092334.db2.gz AJBQKGGBDWQRNL-CYBMUJFWSA-N 0 3 356.451 2.195 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C2CCCC2)CC1 ZINC000045086173 540203500 /nfs/dbraw/zinc/20/35/00/540203500.db2.gz LTCXQXLFMWHKKV-UHFFFAOYSA-N 0 3 357.502 2.433 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(COCC)cc2)CC1 ZINC000076282899 542253997 /nfs/dbraw/zinc/25/39/97/542253997.db2.gz RWPYYWPNQQADAQ-UHFFFAOYSA-N 0 3 359.470 2.318 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)NCc2ccc(C#N)cc2)c1 ZINC000045814256 540229967 /nfs/dbraw/zinc/22/99/67/540229967.db2.gz IUBMQTRJAQBNAU-UHFFFAOYSA-N 0 3 352.438 2.498 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)N3CCCC[C@H]3C)cc2C1=O ZINC000046593538 540263098 /nfs/dbraw/zinc/26/30/98/540263098.db2.gz UMFFPFXLHYEHAM-CABCVRRESA-N 0 3 369.465 2.461 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047416588 540308663 /nfs/dbraw/zinc/30/86/63/540308663.db2.gz JJMFEJHGCVSUSF-GASCZTMLSA-N 0 3 372.513 2.280 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047416588 540308667 /nfs/dbraw/zinc/30/86/67/540308667.db2.gz JJMFEJHGCVSUSF-GASCZTMLSA-N 0 3 372.513 2.280 20 30 FEEDHN CN(CCCNC(=O)C(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000049305427 540386990 /nfs/dbraw/zinc/38/69/90/540386990.db2.gz VXQQQLUIYKUJSQ-UHFFFAOYSA-N 0 3 350.422 2.135 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000050089368 540398879 /nfs/dbraw/zinc/39/88/79/540398879.db2.gz XMULWRYQWLZXIQ-UHFFFAOYSA-N 0 3 371.485 2.058 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1nccs1 ZINC000051756619 540442476 /nfs/dbraw/zinc/44/24/76/540442476.db2.gz YIFFZLZJQVDPOP-UHFFFAOYSA-N 0 3 357.483 2.331 20 30 FEEDHN C[C@H]1CN(C(=O)C2CCN(CCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000051765460 540443559 /nfs/dbraw/zinc/44/35/59/540443559.db2.gz NEKBQSISXMCBKN-IRXDYDNUSA-N 0 3 371.481 2.285 20 30 FEEDHN C[C@@H]1CCCN(Cc2ccccc2CNS(=O)(=O)N(C)CCC#N)C1 ZINC000056064568 540698651 /nfs/dbraw/zinc/69/86/51/540698651.db2.gz KGWNZIXHUJPWDA-MRXNPFEDSA-N 0 3 364.515 2.098 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1c(C)c(C)sc1=O)C(C)C ZINC000056969087 540758730 /nfs/dbraw/zinc/75/87/30/540758730.db2.gz CQFJEFMRRVULEB-INIZCTEOSA-N 0 3 351.516 2.341 20 30 FEEDHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000057700698 540809403 /nfs/dbraw/zinc/80/94/03/540809403.db2.gz WJSAWPNKPCUJSY-UHFFFAOYSA-N 0 3 362.861 2.483 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCCCN1CCOCC1 ZINC000060806525 541121642 /nfs/dbraw/zinc/12/16/42/541121642.db2.gz HRRFWGOBUMBCGV-UHFFFAOYSA-N 0 3 367.287 2.273 20 30 FEEDHN Cc1ccc(CN2CCCN(C(=O)CN3CCC(C#N)CC3)CC2)cc1 ZINC000060893116 541123532 /nfs/dbraw/zinc/12/35/32/541123532.db2.gz LUSGYLQTWNPWRQ-UHFFFAOYSA-N 0 3 354.498 2.265 20 30 FEEDHN CCC(=O)N1CCC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000065930381 541272526 /nfs/dbraw/zinc/27/25/26/541272526.db2.gz OWNUXBRDFIHKKE-IBGZPJMESA-N 0 3 370.497 2.097 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000066921774 541394190 /nfs/dbraw/zinc/39/41/90/541394190.db2.gz RTSOUNMDFDWELB-HXUWFJFHSA-N 0 3 354.450 2.370 20 30 FEEDHN C[C@H]1CCCCN1CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000067033477 541409011 /nfs/dbraw/zinc/40/90/11/541409011.db2.gz ZINYTVQEJTVZPP-INIZCTEOSA-N 0 3 370.501 2.096 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)CN3CCCC3)CC2)cc1C(F)(F)F ZINC000067371943 541451482 /nfs/dbraw/zinc/45/14/82/541451482.db2.gz RPWDZFJYGRUPFU-UHFFFAOYSA-N 0 3 366.387 2.321 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000067398050 541457198 /nfs/dbraw/zinc/45/71/98/541457198.db2.gz VRBBBTPSUOOSLS-QWHCGFSZSA-N 0 3 362.861 2.387 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cccc(CNc3ccncn3)c2)CC1 ZINC000543523456 541604680 /nfs/dbraw/zinc/60/46/80/541604680.db2.gz VPOKXEISWQVULG-UHFFFAOYSA-N 0 3 351.454 2.469 20 30 FEEDHN N#CCSCCCN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000072513524 541824783 /nfs/dbraw/zinc/82/47/83/541824783.db2.gz XJMLKQPJODLILC-UHFFFAOYSA-N 0 3 353.513 2.076 20 30 FEEDHN CCN(CC)C(=O)C1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072583910 541835051 /nfs/dbraw/zinc/83/50/51/541835051.db2.gz INRQOEMPPPWSAX-UHFFFAOYSA-N 0 3 356.470 2.467 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@]3(CNC(=O)C3)C1)CCC2 ZINC000072831273 541876397 /nfs/dbraw/zinc/87/63/97/541876397.db2.gz HUSYIFXENODGEK-LJQANCHMSA-N 0 3 372.494 2.039 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)C(C)C ZINC000247399929 549329047 /nfs/dbraw/zinc/32/90/47/549329047.db2.gz RGAIHZLITCVIPM-IXDOHACOSA-N 0 3 350.507 2.028 20 30 FEEDHN CN(CCC(=O)Nc1ccccc1C#N)C[C@H](O)COCc1ccccc1 ZINC000074289090 542064201 /nfs/dbraw/zinc/06/42/01/542064201.db2.gz STKVJCRBAXPWES-IBGZPJMESA-N 0 3 367.449 2.396 20 30 FEEDHN CCN1CCN(CCC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000075536208 542186525 /nfs/dbraw/zinc/18/65/25/542186525.db2.gz AJARLTZONXQSRU-WOJBJXKFSA-N 0 3 354.498 2.312 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000076525989 542289125 /nfs/dbraw/zinc/28/91/25/542289125.db2.gz DGYQGTLEQXWZQM-UHFFFAOYSA-N 0 3 370.497 2.382 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)c(F)c1 ZINC000076982098 542338873 /nfs/dbraw/zinc/33/88/73/542338873.db2.gz NDFLAMXFSVCMEV-KRWDZBQOSA-N 0 3 371.460 2.013 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000077371652 542373864 /nfs/dbraw/zinc/37/38/64/542373864.db2.gz YAFYDFMNDPVIQI-UWJYYQICSA-N 0 3 354.498 2.391 20 30 FEEDHN C[C@H](C#N)OCCN(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000801946949 674156347 /nfs/dbraw/zinc/15/63/47/674156347.db2.gz QTECGYNMMVRKIY-HUUCEWRRSA-N 0 3 351.472 2.148 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000087116339 542742523 /nfs/dbraw/zinc/74/25/23/542742523.db2.gz XDSMTLWFXHYUPS-HNNXBMFYSA-N 0 3 364.440 2.493 20 30 FEEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ncnn1C ZINC000091183985 542796822 /nfs/dbraw/zinc/79/68/22/542796822.db2.gz BVBGHTOOWLSYSH-UHFFFAOYSA-N 0 3 370.379 2.443 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)COC2)C(C)C ZINC000092221789 542849531 /nfs/dbraw/zinc/84/95/31/542849531.db2.gz JTWWWTSLKFBBPG-LJQANCHMSA-N 0 3 371.481 2.470 20 30 FEEDHN C=CCc1cc(CN2CC[C@H](N3CCN(CC)CC3)C2)cc(OC)c1O ZINC000093132885 542910916 /nfs/dbraw/zinc/91/09/16/542910916.db2.gz KMKVIWJDZVVNFJ-IBGZPJMESA-N 0 3 359.514 2.341 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(n2cncn2)CC1)C(C)C ZINC000101791165 543045174 /nfs/dbraw/zinc/04/51/74/543045174.db2.gz RXRPDDVZLINQCB-GOSISDBHSA-N 0 3 360.506 2.323 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C[C@H](NC(N)=O)c2ccccc2C)CC1 ZINC000106036749 543186119 /nfs/dbraw/zinc/18/61/19/543186119.db2.gz VBEIHIIEAHMOFS-SFHVURJKSA-N 0 3 358.486 2.251 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000106037241 543186134 /nfs/dbraw/zinc/18/61/34/543186134.db2.gz FXZULDVVCQYQHJ-UHFFFAOYSA-N 0 3 357.454 2.107 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000106039030 543186245 /nfs/dbraw/zinc/18/62/45/543186245.db2.gz JHZHAMMBKLAIQT-UHFFFAOYSA-N 0 3 369.465 2.106 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)CC1 ZINC000106037386 543186440 /nfs/dbraw/zinc/18/64/40/543186440.db2.gz JBFVJPPTXPSYMC-INIZCTEOSA-N 0 3 371.481 2.205 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(=O)NCCCC)C2)CC1 ZINC000106275640 543221772 /nfs/dbraw/zinc/22/17/72/543221772.db2.gz XQJSCUJSQDBXDJ-KRWDZBQOSA-N 0 3 364.534 2.365 20 30 FEEDHN CC1CCN([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)c2cccs2)CC1 ZINC000106328501 543223597 /nfs/dbraw/zinc/22/35/97/543223597.db2.gz SDCDMJRSLCLGNC-CVEARBPZSA-N 0 3 362.499 2.455 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2C)CC1 ZINC000106349323 543224695 /nfs/dbraw/zinc/22/46/95/543224695.db2.gz WGSIRADBYXUIPK-UHFFFAOYSA-N 0 3 372.469 2.049 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000112549183 543451246 /nfs/dbraw/zinc/45/12/46/543451246.db2.gz QHZLXOHMVGCEMQ-ZFWWWQNUSA-N 0 3 359.499 2.156 20 30 FEEDHN C[C@H](NC1(CNC(=O)C2(C#N)CCOCC2)CCOCC1)c1ccccc1 ZINC000113236552 543479127 /nfs/dbraw/zinc/47/91/27/543479127.db2.gz LDRPOUZMHIYSMC-KRWDZBQOSA-N 0 3 371.481 2.323 20 30 FEEDHN CN1CCN(CCCNC(=O)c2ccc(C#N)nc2)[C@H](c2ccccc2)C1 ZINC000115330757 543559995 /nfs/dbraw/zinc/55/99/95/543559995.db2.gz DKGUEEUTOWDDGJ-FQEVSTJZSA-N 0 3 363.465 2.062 20 30 FEEDHN CC1CCC(N2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000115567318 543575030 /nfs/dbraw/zinc/57/50/30/543575030.db2.gz QKXRXYPYRSKKBT-UUKMXZOPSA-N 0 3 357.498 2.494 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000119298625 543666008 /nfs/dbraw/zinc/66/60/08/543666008.db2.gz KTRXHHYOBXTAGY-ZBFHGGJFSA-N 0 3 374.510 2.429 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2ncccn2)CC1)C(C)C ZINC000119709832 543671544 /nfs/dbraw/zinc/67/15/44/543671544.db2.gz ACXLFQWTFQMFLN-GOSISDBHSA-N 0 3 372.517 2.007 20 30 FEEDHN N#Cc1ccc2ncc(CNC[C@@H]3CN(Cc4ccccc4)CCO3)n2c1 ZINC000123175963 543746824 /nfs/dbraw/zinc/74/68/24/543746824.db2.gz SDMAIUCPMSAIOG-HXUWFJFHSA-N 0 3 361.449 2.197 20 30 FEEDHN N#Cc1ccc(C(F)(F)F)c(N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000123729427 543779835 /nfs/dbraw/zinc/77/98/35/543779835.db2.gz WETSKIRPOBXAQI-UHFFFAOYSA-N 0 3 366.387 2.321 20 30 FEEDHN Cc1ccc(C(=O)NCCNCc2cnc3ccc(C#N)cn23)cc1F ZINC000123264762 543751353 /nfs/dbraw/zinc/75/13/53/543751353.db2.gz IEPDFGCULWUVAH-UHFFFAOYSA-N 0 3 351.385 2.173 20 30 FEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(C)(C)CN1CCOCC1 ZINC000124202449 543806675 /nfs/dbraw/zinc/80/66/75/543806675.db2.gz WFXRMGGAUMJPOY-KRWDZBQOSA-N 0 3 364.534 2.008 20 30 FEEDHN CN1CCN([C@@H]2CCCCN(C(=O)Nc3ccc(CC#N)cc3)C2)CC1 ZINC000125419836 543880479 /nfs/dbraw/zinc/88/04/79/543880479.db2.gz NUAOTUSFOMNGDW-LJQANCHMSA-N 0 3 355.486 2.386 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1NCCCCN1CCN(CCO)CC1 ZINC000126553559 543943547 /nfs/dbraw/zinc/94/35/47/543943547.db2.gz BXTPKRXJLAPDQQ-UHFFFAOYSA-N 0 3 370.419 2.379 20 30 FEEDHN Cc1ncsc1C(=O)NC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000127336196 543986889 /nfs/dbraw/zinc/98/68/89/543986889.db2.gz QMGHSNJSVDDQED-KRWDZBQOSA-N 0 3 370.478 2.251 20 30 FEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000128606262 544062174 /nfs/dbraw/zinc/06/21/74/544062174.db2.gz PCJXJLFLNUSRFV-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)cc1C ZINC000131152192 544178778 /nfs/dbraw/zinc/17/87/78/544178778.db2.gz OFJHNTGOHXRBLO-ZWKOTPCHSA-N 0 3 356.470 2.184 20 30 FEEDHN N#CCCN(C(=O)CN[C@H]1CCCC[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000131166693 544179198 /nfs/dbraw/zinc/17/91/98/544179198.db2.gz MAXWHDSRQWULPR-HOTGVXAUSA-N 0 3 362.861 2.220 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000133924421 544288004 /nfs/dbraw/zinc/28/80/04/544288004.db2.gz UZRUMRRWKMUXTC-INIZCTEOSA-N 0 3 372.469 2.084 20 30 FEEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000156571792 545636499 /nfs/dbraw/zinc/63/64/99/545636499.db2.gz MJWYGFLHZMOXFE-UHFFFAOYSA-N 0 3 353.875 2.461 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(N2CCCNC2=O)CC1 ZINC000135433295 544346578 /nfs/dbraw/zinc/34/65/78/544346578.db2.gz HLYJQHXNPCGUOQ-LJQANCHMSA-N 0 3 373.497 2.035 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000151603899 544561376 /nfs/dbraw/zinc/56/13/76/544561376.db2.gz UVFDFISGIGMJTP-KRWDZBQOSA-N 0 3 354.454 2.268 20 30 FEEDHN C[C@H](O)C[C@H]1CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153162290 544741387 /nfs/dbraw/zinc/74/13/87/544741387.db2.gz WYXOMQLPXNFCQI-WMLDXEAASA-N 0 3 368.399 2.408 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000185838465 327935358 /nfs/dbraw/zinc/93/53/58/327935358.db2.gz JNRWAISVCCKVAE-SOUVJXGZSA-N 0 3 365.499 2.212 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000187678927 328039313 /nfs/dbraw/zinc/03/93/13/328039313.db2.gz NXOYRQOVKIHPEC-QGZVFWFLSA-N 0 3 354.498 2.495 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000188375450 328083338 /nfs/dbraw/zinc/08/33/38/328083338.db2.gz HJQLVVOVCWSUCJ-HNNXBMFYSA-N 0 3 368.481 2.055 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000188422274 328086289 /nfs/dbraw/zinc/08/62/89/328086289.db2.gz DZHCBOYZZFKZDI-RBUKOAKNSA-N 0 3 358.486 2.183 20 30 FEEDHN N#Cc1cccnc1-n1cc(NC(=O)N2CCC(N3CC=CC3)CC2)cn1 ZINC000188811564 328111928 /nfs/dbraw/zinc/11/19/28/328111928.db2.gz PVXGUVCCHKHFKU-UHFFFAOYSA-N 0 3 363.425 2.007 20 30 FEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000189313245 328140432 /nfs/dbraw/zinc/14/04/32/328140432.db2.gz QAGLVNKTUOILKN-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000189492999 328151417 /nfs/dbraw/zinc/15/14/17/328151417.db2.gz WOKJUIIQLMDBKG-JKOKRWQUSA-N 0 3 360.483 2.069 20 30 FEEDHN Cn1cc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1C#N ZINC000190869833 328237374 /nfs/dbraw/zinc/23/73/74/328237374.db2.gz JSTMUWPVQURIQG-OAHLLOKOSA-N 0 3 353.344 2.445 20 30 FEEDHN CN(CCN1CCN(Cc2cc(C#N)n(C)c2)CC1)Cc1ccccc1 ZINC000191327457 328260441 /nfs/dbraw/zinc/26/04/41/328260441.db2.gz YSMKDOZELIUGQG-UHFFFAOYSA-N 0 3 351.498 2.146 20 30 FEEDHN COC[C@H](Cc1ccccc1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000191501059 328268766 /nfs/dbraw/zinc/26/87/66/328268766.db2.gz XFSKWVRVFJUTDK-PMACEKPBSA-N 0 3 354.450 2.487 20 30 FEEDHN Cc1nc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1C#N ZINC000192220140 328307479 /nfs/dbraw/zinc/30/74/79/328307479.db2.gz LSPLPZAAQDZMKN-IBGZPJMESA-N 0 3 364.449 2.283 20 30 FEEDHN CN1CCN(CCCNC(=O)c2ccnc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000192637594 328330101 /nfs/dbraw/zinc/33/01/01/328330101.db2.gz BQJFMRJHKJHWSY-FQEVSTJZSA-N 0 3 363.465 2.062 20 30 FEEDHN COc1cc(CNC(=O)c2ccc(C#N)c(C)n2)ccc1OCCN(C)C ZINC000194856939 328443940 /nfs/dbraw/zinc/44/39/40/328443940.db2.gz HTZMZSUFYUDCEY-UHFFFAOYSA-N 0 3 368.437 2.141 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@H](O)C2)c1C#N ZINC000078390777 325044772 /nfs/dbraw/zinc/04/47/72/325044772.db2.gz SARGDQIBEVPWOG-INIZCTEOSA-N 0 3 370.453 2.403 20 30 FEEDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000083537929 325218348 /nfs/dbraw/zinc/21/83/48/325218348.db2.gz DCBCCNVIVZLDNV-LBPRGKRZSA-N 0 3 361.389 2.292 20 30 FEEDHN Cn1cc(C#N)cc1C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000091631213 325389463 /nfs/dbraw/zinc/38/94/63/325389463.db2.gz YJCDBHLWLKQVOM-UHFFFAOYSA-N 0 3 366.465 2.344 20 30 FEEDHN N#Cc1ccccc1N1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000101606026 325474745 /nfs/dbraw/zinc/47/47/45/325474745.db2.gz IBYWVMGCLCOYNY-UHFFFAOYSA-N 0 3 353.470 2.017 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000116447806 326015647 /nfs/dbraw/zinc/01/56/47/326015647.db2.gz URIUVWJAOKSSJR-QUCCMNQESA-N 0 3 373.497 2.171 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000118126795 326084026 /nfs/dbraw/zinc/08/40/26/326084026.db2.gz KESGVHGDAQKXFH-INIZCTEOSA-N 0 3 372.469 2.275 20 30 FEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000118399211 326090452 /nfs/dbraw/zinc/09/04/52/326090452.db2.gz JPANMOKPHUSOEB-KRWDZBQOSA-N 0 3 354.498 2.495 20 30 FEEDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000152706385 326714480 /nfs/dbraw/zinc/71/44/80/326714480.db2.gz PSAWJNZDMXQRFU-QZTJIDSGSA-N 0 3 357.454 2.139 20 30 FEEDHN C[NH+](C)Cc1cccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000156412185 326830321 /nfs/dbraw/zinc/83/03/21/326830321.db2.gz UXPYNIPTUWYYDL-UHFFFAOYSA-N 0 3 374.422 2.007 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000158350354 326893032 /nfs/dbraw/zinc/89/30/32/326893032.db2.gz IKDBPARPQFFWAG-PXNSSMCTSA-N 0 3 371.481 2.429 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160540572 326969108 /nfs/dbraw/zinc/96/91/08/326969108.db2.gz VHNVZHBKLPOECR-GOSISDBHSA-N 0 3 359.470 2.070 20 30 FEEDHN Cc1ccc([C@H](CNC(=O)CNC(=O)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000171117272 327119407 /nfs/dbraw/zinc/11/94/07/327119407.db2.gz YDLJJEYIUZIMOF-IBGZPJMESA-N 0 3 364.449 2.016 20 30 FEEDHN CC(C)[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCCCC1 ZINC000171458786 327140910 /nfs/dbraw/zinc/14/09/10/327140910.db2.gz XIAMOWCMPVLVEH-LJQANCHMSA-N 0 3 355.486 2.112 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172419304 327200988 /nfs/dbraw/zinc/20/09/88/327200988.db2.gz FIZCTKXTCNOHNB-UHFFFAOYSA-N 0 3 370.497 2.273 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172419304 327200989 /nfs/dbraw/zinc/20/09/89/327200989.db2.gz FIZCTKXTCNOHNB-UHFFFAOYSA-N 0 3 370.497 2.273 20 30 FEEDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000264746130 329056174 /nfs/dbraw/zinc/05/61/74/329056174.db2.gz UCLIWLQFJKKDNC-GDBMZVCRSA-N 0 3 363.458 2.143 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cn1 ZINC000267426274 329325957 /nfs/dbraw/zinc/32/59/57/329325957.db2.gz VMBRYIRHFZATCS-SFHVURJKSA-N 0 3 362.481 2.387 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2c(c1)ncn2C ZINC000159703199 545974454 /nfs/dbraw/zinc/97/44/54/545974454.db2.gz WEKWQKJWNKEXQI-UHFFFAOYSA-N 0 3 362.437 2.044 20 30 FEEDHN CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)N(C)CCC#N ZINC000160017582 546000608 /nfs/dbraw/zinc/00/06/08/546000608.db2.gz OIINVBMOKYHQDE-KRWDZBQOSA-N 0 3 357.502 2.380 20 30 FEEDHN C=C(C)COCCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000161296365 546118374 /nfs/dbraw/zinc/11/83/74/546118374.db2.gz PQTJNLOKZMFQRK-UHFFFAOYSA-N 0 3 359.470 2.320 20 30 FEEDHN CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000171100346 546190079 /nfs/dbraw/zinc/19/00/79/546190079.db2.gz IORNWYWBMGERHP-QGZVFWFLSA-N 0 3 354.454 2.123 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000171551442 546214219 /nfs/dbraw/zinc/21/42/19/546214219.db2.gz XVJNDCZSIVROPP-UHFFFAOYSA-N 0 3 359.470 2.340 20 30 FEEDHN C=CCN1CCC(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000171566385 546214705 /nfs/dbraw/zinc/21/47/05/546214705.db2.gz KNBHDUWVNSHRNV-UHFFFAOYSA-N 0 3 373.541 2.476 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)CC)cc2)CC1 ZINC000171621129 546216365 /nfs/dbraw/zinc/21/63/65/546216365.db2.gz HQMGVFGJSXFIFF-UHFFFAOYSA-N 0 3 372.469 2.130 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)CC1 ZINC000171636932 546217927 /nfs/dbraw/zinc/21/79/27/546217927.db2.gz HEARJASUSBRFOB-CQSZACIVSA-N 0 3 360.458 2.432 20 30 FEEDHN C=CCN1CCC(NC(=O)CCCNC(=O)c2ccc(F)cc2F)CC1 ZINC000171723902 546222258 /nfs/dbraw/zinc/22/22/58/546222258.db2.gz ZEBSLIQEPIROJZ-UHFFFAOYSA-N 0 3 365.424 2.241 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)CC1 ZINC000171738606 546223008 /nfs/dbraw/zinc/22/30/08/546223008.db2.gz SPGYUDNQXMWGJU-IRXDYDNUSA-N 0 3 364.534 2.363 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCCN(Cc3cscn3)CC2)CC1 ZINC000171741946 546223025 /nfs/dbraw/zinc/22/30/25/546223025.db2.gz ZAYRSMRMSONHBO-UHFFFAOYSA-N 0 3 363.531 2.011 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000171740973 546223625 /nfs/dbraw/zinc/22/36/25/546223625.db2.gz TZFKZMNBMLAGAU-UHFFFAOYSA-N 0 3 366.487 2.220 20 30 FEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000173737156 546285577 /nfs/dbraw/zinc/28/55/77/546285577.db2.gz NDDBCTJFSKVDER-MDZRGWNJSA-N 0 3 358.461 2.407 20 30 FEEDHN CN(C)C(=O)COc1ccccc1CNCCOc1ccc(C#N)cc1 ZINC000174559398 546299400 /nfs/dbraw/zinc/29/94/00/546299400.db2.gz OCMRKXCIYUDFHB-UHFFFAOYSA-N 0 3 353.422 2.194 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000479688799 561194999 /nfs/dbraw/zinc/19/49/99/561194999.db2.gz JIRUJQHDWIFWRA-IBGZPJMESA-N 0 3 372.513 2.375 20 30 FEEDHN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000175981079 546384055 /nfs/dbraw/zinc/38/40/55/546384055.db2.gz JRDMNGONNBPEEF-INIZCTEOSA-N 0 3 358.417 2.113 20 30 FEEDHN C=CCN1CCC(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000176301691 546429209 /nfs/dbraw/zinc/42/92/09/546429209.db2.gz YIDXJUYVRZNYMK-UHFFFAOYSA-N 0 3 369.387 2.202 20 30 FEEDHN C=C(C)COc1cc(CN[C@H](CC)C(=O)N2CCOCC2)ccc1OC ZINC000176805141 546491227 /nfs/dbraw/zinc/49/12/27/546491227.db2.gz LTTVBVDJRQOPEU-QGZVFWFLSA-N 0 3 362.470 2.377 20 30 FEEDHN CN(C)[C@@H](CNC(=O)CN(CCC#N)Cc1ccco1)c1ccccc1 ZINC000176838472 546495462 /nfs/dbraw/zinc/49/54/62/546495462.db2.gz CXZYEDGAEKSMPK-IBGZPJMESA-N 0 3 354.454 2.414 20 30 FEEDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000480688435 561214336 /nfs/dbraw/zinc/21/43/36/561214336.db2.gz ICZZUUGQCRIKKC-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCSC2)cc1 ZINC000481037388 561223652 /nfs/dbraw/zinc/22/36/52/561223652.db2.gz PFOWNCFQYUUHII-YPMHNXCESA-N 0 3 353.469 2.342 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C1CCCCC1)N(C)C ZINC000178417103 546791164 /nfs/dbraw/zinc/79/11/64/546791164.db2.gz GYXKGTOAVZPQQY-GOSISDBHSA-N 0 3 356.470 2.432 20 30 FEEDHN O=C(NCCNCc1ccc(F)cc1C(F)(F)F)C1N=CC=CC1=O ZINC000178900153 546869878 /nfs/dbraw/zinc/86/98/78/546869878.db2.gz PZRFQNQYLPOCCD-PFONDFGASA-N 0 3 357.307 2.461 20 30 FEEDHN CN1CCN([C@H]2CCCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000179629863 546989100 /nfs/dbraw/zinc/98/91/00/546989100.db2.gz CSHJMEYVCFZDAZ-XTXLJPNXSA-N 0 3 352.482 2.200 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](c2ccccc2)C2CC2)CC1 ZINC000179692678 546998831 /nfs/dbraw/zinc/99/88/31/546998831.db2.gz NBIHQRJAXBXWSF-CTNGQTDRSA-N 0 3 354.498 2.420 20 30 FEEDHN C=CCOc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1OC ZINC000179690240 546998887 /nfs/dbraw/zinc/99/88/87/546998887.db2.gz RMSDSFCBZXYBSY-UHFFFAOYSA-N 0 3 374.481 2.331 20 30 FEEDHN COCCOc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000179829822 547019056 /nfs/dbraw/zinc/01/90/56/547019056.db2.gz CHPFVKAMTHDEJP-CQSZACIVSA-N 0 3 350.378 2.484 20 30 FEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccc1OC(F)F ZINC000180868690 547198799 /nfs/dbraw/zinc/19/87/99/547198799.db2.gz ZLKXPTBHWXADDJ-YOJQOHNYSA-N 0 3 351.353 2.465 20 30 FEEDHN Cc1csc2ncc(C(=O)C(C#N)c3cnc4ccccc4n3)c(=O)n12 ZINC000483219987 561271159 /nfs/dbraw/zinc/27/11/59/561271159.db2.gz VNSQFTRLTCYCNX-NSHDSACASA-N 0 3 361.386 2.498 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC(C)(C)O2)cc1 ZINC000483597019 561280372 /nfs/dbraw/zinc/28/03/72/561280372.db2.gz YLGBHXFTADBEAI-OCCSQVGLSA-N 0 3 365.455 2.451 20 30 FEEDHN C=C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000483913040 561286675 /nfs/dbraw/zinc/28/66/75/561286675.db2.gz KLDFLQLNRHYWBL-MRXNPFEDSA-N 0 3 358.486 2.155 20 30 FEEDHN CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC1CCC1 ZINC000182777918 547551072 /nfs/dbraw/zinc/55/10/72/547551072.db2.gz CWFCFCGPEQVZRH-LJQANCHMSA-N 0 3 358.461 2.266 20 30 FEEDHN Cn1cnc(-c2ccc(C(=O)C(C#N)c3nnc4n3CCCCC4)cc2)n1 ZINC000182868470 547563595 /nfs/dbraw/zinc/56/35/95/547563595.db2.gz RHMCCQSNDRZWSV-OAHLLOKOSA-N 0 3 361.409 2.290 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2nc3cc(OC)ccc3n2C)CC1 ZINC000185734479 548027283 /nfs/dbraw/zinc/02/72/83/548027283.db2.gz CGPPQLJSMJZVCN-UHFFFAOYSA-N 0 3 357.458 2.032 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](O)Cc1ccccc1 ZINC000486068511 561337323 /nfs/dbraw/zinc/33/73/23/561337323.db2.gz YINRGJSEGIGFAS-NRFANRHFSA-N 0 3 365.477 2.442 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000190015243 548316475 /nfs/dbraw/zinc/31/64/75/548316475.db2.gz YIUUHZOPKTUBCP-KRWDZBQOSA-N 0 3 357.454 2.277 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@H]2c2nc(C)cs2)CC1 ZINC000190175553 548318668 /nfs/dbraw/zinc/31/86/68/548318668.db2.gz KDKQZVVRYASMTG-HNNXBMFYSA-N 0 3 350.488 2.185 20 30 FEEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1-n1cnnn1 ZINC000190958309 548337811 /nfs/dbraw/zinc/33/78/11/548337811.db2.gz ZSFMDOWNSPZLBF-CYBMUJFWSA-N 0 3 371.360 2.104 20 30 FEEDHN CC(C)N1CCN(CCCN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000191575026 548348295 /nfs/dbraw/zinc/34/82/95/548348295.db2.gz FSTSPTJMQBOCAJ-QFIPXVFZSA-N 0 3 369.557 2.285 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)C(C)(C)C)nc1C ZINC000237582265 548836645 /nfs/dbraw/zinc/83/66/45/548836645.db2.gz FLXQTKSZMVCCII-SNVBAGLBSA-N 0 3 366.516 2.497 20 30 FEEDHN N#Cc1ccc2ncc(CNCCNC(=O)c3ccc(Cl)cc3)n2c1 ZINC000237865770 548860402 /nfs/dbraw/zinc/86/04/02/548860402.db2.gz CGWHCGYIIUFURP-UHFFFAOYSA-N 0 3 353.813 2.379 20 30 FEEDHN N#Cc1ccccc1/C=C/C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245570021 548948654 /nfs/dbraw/zinc/94/86/54/548948654.db2.gz AEFLCALIIUISLQ-YGEFIYNQSA-N 0 3 361.445 2.323 20 30 FEEDHN CC(C)n1cnnc1[C@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246148946 549063687 /nfs/dbraw/zinc/06/36/87/549063687.db2.gz LXSGVRCYYFXZCG-ZWKOTPCHSA-N 0 3 369.469 2.350 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C)C1 ZINC000248876997 549520131 /nfs/dbraw/zinc/52/01/31/549520131.db2.gz OCMWGFHIVTVYNC-QWHCGFSZSA-N 0 3 362.861 2.387 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(N(C)C(C)=O)CC1)C(C)C ZINC000263669895 549916690 /nfs/dbraw/zinc/91/66/90/549916690.db2.gz HAMIIHHWPCIQMJ-LJQANCHMSA-N 0 3 364.534 2.337 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000264364693 549994446 /nfs/dbraw/zinc/99/44/46/549994446.db2.gz HOUXVDZBIYSEHP-LJQANCHMSA-N 0 3 370.497 2.127 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H](N(C)C)C1 ZINC000264656390 549999473 /nfs/dbraw/zinc/99/94/73/549999473.db2.gz ZPDUNOKCMCEDFJ-IRXDYDNUSA-N 0 3 358.486 2.356 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264905911 550003447 /nfs/dbraw/zinc/00/34/47/550003447.db2.gz CWLZVYHCBGHXQU-KRWDZBQOSA-N 0 3 370.497 2.231 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)c2c(F)cccc2F)CC1 ZINC000265267243 550008152 /nfs/dbraw/zinc/00/81/52/550008152.db2.gz UEFPHHBRPPRTBY-INIZCTEOSA-N 0 3 353.413 2.338 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(F)cc2C(=O)OCC)CC1 ZINC000266182013 550017747 /nfs/dbraw/zinc/01/77/47/550017747.db2.gz UCHKIJSIGFAWOR-UHFFFAOYSA-N 0 3 350.365 2.425 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(Cc2ccccn2)nn1)C(C)C ZINC000266268142 550018843 /nfs/dbraw/zinc/01/88/43/550018843.db2.gz AIKUMIKYJANTLK-LJQANCHMSA-N 0 3 368.485 2.150 20 30 FEEDHN C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000266456239 550020430 /nfs/dbraw/zinc/02/04/30/550020430.db2.gz LAOUSOPCIGCCKD-KDOFPFPSSA-N 0 3 353.426 2.169 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000266453394 550020602 /nfs/dbraw/zinc/02/06/02/550020602.db2.gz OKSWCXBGRWVMJO-OAQYLSRUSA-N 0 3 371.525 2.434 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000267248161 550029030 /nfs/dbraw/zinc/02/90/30/550029030.db2.gz ZGVZXQSWHIBBBQ-SFHVURJKSA-N 0 3 362.499 2.161 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2nnc3n2CCCCC3)CC1 ZINC000267321709 550029998 /nfs/dbraw/zinc/02/99/98/550029998.db2.gz KHJQTHIYZLESNB-INIZCTEOSA-N 0 3 360.506 2.405 20 30 FEEDHN CN(C)C[C@H]1CCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000268130195 550036956 /nfs/dbraw/zinc/03/69/56/550036956.db2.gz MFMGZAAKPHDVTA-GOSISDBHSA-N 0 3 356.470 2.266 20 30 FEEDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000269103174 550154959 /nfs/dbraw/zinc/15/49/59/550154959.db2.gz AKVBBIBNBCDSBW-CJNGLKHVSA-N 0 3 353.875 2.316 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1cc(Br)cn1)C(C)C ZINC000493094868 561454339 /nfs/dbraw/zinc/45/43/39/561454339.db2.gz BKWUQCYKQRIAPC-HNNXBMFYSA-N 0 3 369.307 2.460 20 30 FEEDHN CCOC(=O)Nc1ccc(NC(=O)CCN2CCN(CC)CC2)cc1C#N ZINC000269820999 550227946 /nfs/dbraw/zinc/22/79/46/550227946.db2.gz XPQKAICIPWONKP-UHFFFAOYSA-N 0 3 373.457 2.093 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000272813342 550472183 /nfs/dbraw/zinc/47/21/83/550472183.db2.gz DNXHEHIIQIAGTK-AWEZNQCLSA-N 0 3 372.918 2.267 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000274555436 550543572 /nfs/dbraw/zinc/54/35/72/550543572.db2.gz YIODCNYEFWHDSS-QGZVFWFLSA-N 0 3 368.485 2.139 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000275780048 550574322 /nfs/dbraw/zinc/57/43/22/550574322.db2.gz FHROZUBSPJAGTE-OAHLLOKOSA-N 0 3 359.470 2.379 20 30 FEEDHN C=CCN(C(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)C1CC1 ZINC000275985219 550575652 /nfs/dbraw/zinc/57/56/52/550575652.db2.gz FBDLORHKTFTKCM-UHFFFAOYSA-N 0 3 365.861 2.396 20 30 FEEDHN CN(C)[C@]1(CNC(=O)Nc2ncccc2OCCCC#N)CCSC1 ZINC000276082701 550576465 /nfs/dbraw/zinc/57/64/65/550576465.db2.gz OIRKBLWZQXWHGG-KRWDZBQOSA-N 0 3 363.487 2.323 20 30 FEEDHN N#Cc1ncccc1S(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000277045076 550625475 /nfs/dbraw/zinc/62/54/75/550625475.db2.gz PSCSMWRCIUGXFR-UHFFFAOYSA-N 0 3 356.451 2.028 20 30 FEEDHN CC[C@H](C)NC(=O)CCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278717694 550814463 /nfs/dbraw/zinc/81/44/63/550814463.db2.gz SPGNAMHNWJPTCE-HNNXBMFYSA-N 0 3 354.458 2.253 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC(=O)NC2CCCCC2)cc1 ZINC000279306057 550875680 /nfs/dbraw/zinc/87/56/80/550875680.db2.gz MPLXOFDGMHFOFB-KRWDZBQOSA-N 0 3 352.438 2.196 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000279369194 550882166 /nfs/dbraw/zinc/88/21/66/550882166.db2.gz IPQYVNOTINOPFC-AWEZNQCLSA-N 0 3 373.501 2.242 20 30 FEEDHN C[C@@H](CN1CCOCC1)N(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279384892 550884230 /nfs/dbraw/zinc/88/42/30/550884230.db2.gz JRURSHOBARNQSU-KRWDZBQOSA-N 0 3 368.485 2.011 20 30 FEEDHN COCCO[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279482072 550894981 /nfs/dbraw/zinc/89/49/81/550894981.db2.gz WWHMJTHHXGFKHC-GOSISDBHSA-N 0 3 355.442 2.096 20 30 FEEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279877515 550938782 /nfs/dbraw/zinc/93/87/82/550938782.db2.gz CHODEQYBHCBMRB-GLIRLQKLSA-N 0 3 357.479 2.437 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000280343406 550983069 /nfs/dbraw/zinc/98/30/69/550983069.db2.gz JZSPGOBVUQCLNV-RBUKOAKNSA-N 0 3 365.408 2.347 20 30 FEEDHN Cc1cccc(OC[C@H](O)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280485525 550999198 /nfs/dbraw/zinc/99/91/98/550999198.db2.gz VEUSGKBUJRNMIT-RTBURBONSA-N 0 3 363.417 2.105 20 30 FEEDHN COc1cc(CNCc2ccc(N3CCN(C)CC3)nc2)ccc1C#N ZINC000281623163 551121759 /nfs/dbraw/zinc/12/17/59/551121759.db2.gz HPDYJAQZPTURSR-UHFFFAOYSA-N 0 3 351.454 2.003 20 30 FEEDHN COCCC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1 ZINC000282302106 551208988 /nfs/dbraw/zinc/20/89/88/551208988.db2.gz MJJVWZHCYKQOAV-OZNQOIHVSA-N 0 3 361.417 2.409 20 30 FEEDHN C[C@H](CC#N)N(C)S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000283059645 551305309 /nfs/dbraw/zinc/30/53/09/551305309.db2.gz TVLFHXKTDPYYES-CQSZACIVSA-N 0 3 370.544 2.028 20 30 FEEDHN C[C@H]1CN(CCC2CCN(C(=O)c3cc(C#N)ccn3)CC2)C[C@H](C)O1 ZINC000283761560 551423647 /nfs/dbraw/zinc/42/36/47/551423647.db2.gz QCKGFJAINSSUCS-HOTGVXAUSA-N 0 3 356.470 2.305 20 30 FEEDHN C(#CCN1CCC[C@H](c2ncc[nH]2)C1)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000284235135 551506550 /nfs/dbraw/zinc/50/65/50/551506550.db2.gz VICFPGGLNMAGOE-HDICACEKSA-N 0 3 352.486 2.195 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000498190970 561517973 /nfs/dbraw/zinc/51/79/73/561517973.db2.gz SCLRHQJEZWKFKR-AYOQOUSVSA-N 0 3 368.481 2.068 20 30 FEEDHN COC(=O)[C@]12CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C[C@H]1CCCC2 ZINC000284476635 551557415 /nfs/dbraw/zinc/55/74/15/551557415.db2.gz MFLOCFHIFNPFME-WAOWUJCRSA-N 0 3 365.433 2.432 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@H]2C1 ZINC000285734636 551802953 /nfs/dbraw/zinc/80/29/53/551802953.db2.gz GRMBDRRHMPWPJR-UZLBHIALSA-N 0 3 370.472 2.466 20 30 FEEDHN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000286057076 551843950 /nfs/dbraw/zinc/84/39/50/551843950.db2.gz RIWXPJDKRUTFKT-UZLBHIALSA-N 0 3 365.481 2.254 20 30 FEEDHN CC[C@H](C)N(C)CCNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000286057456 551844030 /nfs/dbraw/zinc/84/40/30/551844030.db2.gz RULNPRXKLBCDJW-INIZCTEOSA-N 0 3 358.486 2.142 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](c3ccccc3C)C2)CC1 ZINC000286351508 551877459 /nfs/dbraw/zinc/87/74/59/551877459.db2.gz BMLJKBPTVZNDKZ-SFHVURJKSA-N 0 3 369.509 2.468 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000286367067 551879458 /nfs/dbraw/zinc/87/94/58/551879458.db2.gz CERXXQCOLCMYFT-LIRRHRJNSA-N 0 3 373.472 2.332 20 30 FEEDHN COC(=O)[C@@]1(C(F)(F)F)CCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000286525444 551896136 /nfs/dbraw/zinc/89/61/36/551896136.db2.gz NKIFGIIPMWLOKV-MRXNPFEDSA-N 0 3 369.343 2.314 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)[N-]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000286723521 551918786 /nfs/dbraw/zinc/91/87/86/551918786.db2.gz SMIUZYZSLXNIMU-UHFFFAOYSA-N 0 3 359.451 2.137 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H](CC)c2ccncc2)CC1 ZINC000286724883 551919123 /nfs/dbraw/zinc/91/91/23/551919123.db2.gz REROUOMBWFYKIH-GOSISDBHSA-N 0 3 358.486 2.148 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000286737967 551920723 /nfs/dbraw/zinc/92/07/23/551920723.db2.gz RZYNISRMEWAOLX-WBVHZDCISA-N 0 3 373.472 2.297 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)Cc2ccc(C)cc2C)CC1 ZINC000286843089 551932429 /nfs/dbraw/zinc/93/24/29/551932429.db2.gz YIWGUXYZFNPJBE-KRWDZBQOSA-N 0 3 357.498 2.117 20 30 FEEDHN C[C@H]1CCCCN1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286844526 551932711 /nfs/dbraw/zinc/93/27/11/551932711.db2.gz KPAJVGKCZPTHOM-LSDHHAIUSA-N 0 3 351.472 2.426 20 30 FEEDHN CN(CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C1CC1 ZINC000287039740 551954924 /nfs/dbraw/zinc/95/49/24/551954924.db2.gz MFZHDTOHVNPUQA-UHFFFAOYSA-N 0 3 360.433 2.344 20 30 FEEDHN C=CCOc1ccc(CNC(=O)NC[C@@H](C)CN2CCN(CC)CC2)cc1 ZINC000287217902 551977525 /nfs/dbraw/zinc/97/75/25/551977525.db2.gz VUNMAHLWUWMXTK-GOSISDBHSA-N 0 3 374.529 2.324 20 30 FEEDHN N#CCCCCNC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000287249745 551981337 /nfs/dbraw/zinc/98/13/37/551981337.db2.gz HHSNZIIUQUEIKV-HXUWFJFHSA-N 0 3 369.513 2.282 20 30 FEEDHN CC[C@](C)(C#N)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000287367071 551994975 /nfs/dbraw/zinc/99/49/75/551994975.db2.gz NYWSTAOEMTYFNO-TZIWHRDSSA-N 0 3 354.498 2.345 20 30 FEEDHN C#CCC(C)(C)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000287401226 551999301 /nfs/dbraw/zinc/99/93/01/551999301.db2.gz PLCBNVCPRWSIFY-HXUWFJFHSA-N 0 3 353.510 2.455 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288208963 552110751 /nfs/dbraw/zinc/11/07/51/552110751.db2.gz SZFDTCNCLNTSLC-GDBMZVCRSA-N 0 3 371.485 2.138 20 30 FEEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1OC ZINC000499899884 561561047 /nfs/dbraw/zinc/56/10/47/561561047.db2.gz YTFCFNBRUKDZMM-KRWDZBQOSA-N 0 3 362.470 2.443 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000289141488 552272361 /nfs/dbraw/zinc/27/23/61/552272361.db2.gz KCRDNKDTHSDNBR-PKOBYXMFSA-N 0 3 359.495 2.337 20 30 FEEDHN C#CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289201724 552282047 /nfs/dbraw/zinc/28/20/47/552282047.db2.gz BLUNMMNOESJRSO-JXFKEZNVSA-N 0 3 355.438 2.041 20 30 FEEDHN C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289201724 552282049 /nfs/dbraw/zinc/28/20/49/552282049.db2.gz BLUNMMNOESJRSO-JXFKEZNVSA-N 0 3 355.438 2.041 20 30 FEEDHN C[C@H](NS(=O)(=O)c1cncc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000289462182 552325383 /nfs/dbraw/zinc/32/53/83/552325383.db2.gz MDDMAVSRTSLTHZ-MAUKXSAKSA-N 0 3 370.478 2.142 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000289629927 552352503 /nfs/dbraw/zinc/35/25/03/552352503.db2.gz ZPRUDNQACSOQOD-DNVCBOLYSA-N 0 3 370.478 2.142 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291338921 552616361 /nfs/dbraw/zinc/61/63/61/552616361.db2.gz WHATUOHDMRVPSN-DENIHFKCSA-N 0 3 359.429 2.403 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(F)(F)[C@@H](CO)C2)cc1Cl ZINC000291885683 552671667 /nfs/dbraw/zinc/67/16/67/552671667.db2.gz QLSVFCPYAWGIQL-GFCCVEGCSA-N 0 3 357.788 2.490 20 30 FEEDHN C[C@@H](NC(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC000292960793 552775306 /nfs/dbraw/zinc/77/53/06/552775306.db2.gz AKPMVVAFQDRMST-CQSZACIVSA-N 0 3 365.437 2.137 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 ZINC000293294438 552808471 /nfs/dbraw/zinc/80/84/71/552808471.db2.gz HAQRPSGSBJNWAN-UHFFFAOYSA-N 0 3 364.449 2.067 20 30 FEEDHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCN(C2CCC2)C1 ZINC000293434508 552823106 /nfs/dbraw/zinc/82/31/06/552823106.db2.gz NZKKKTFWYVIVHO-ZDUSSCGKSA-N 0 3 374.872 2.483 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cccnc1SCc1cc(C)on1 ZINC000293887485 552865227 /nfs/dbraw/zinc/86/52/27/552865227.db2.gz DCJIBJIZZSCWGH-UHFFFAOYSA-N 0 3 358.467 2.355 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCCOc1ccc(C(C)=O)cc1OC ZINC000294017835 552875764 /nfs/dbraw/zinc/87/57/64/552875764.db2.gz QFZZMFSVUJDHKM-UHFFFAOYSA-N 0 3 360.454 2.128 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2c(Cl)cccc2-n2ccnc2)CC1 ZINC000294378221 552901476 /nfs/dbraw/zinc/90/14/76/552901476.db2.gz LZRKOOGNQXYOBI-UHFFFAOYSA-N 0 3 356.857 2.487 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000294542444 552914464 /nfs/dbraw/zinc/91/44/64/552914464.db2.gz UCNOLOOACPWIRM-IBGZPJMESA-N 0 3 359.539 2.473 20 30 FEEDHN CC#CCCNC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000502130932 561612697 /nfs/dbraw/zinc/61/26/97/561612697.db2.gz VUNBRVIEUWRMQB-FQEVSTJZSA-N 0 3 354.498 2.002 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295871048 553070060 /nfs/dbraw/zinc/07/00/60/553070060.db2.gz FQJBJFBPHXIHPC-GUYCJALGSA-N 0 3 351.447 2.086 20 30 FEEDHN CCN(CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)C1CC1 ZINC000295881689 553071558 /nfs/dbraw/zinc/07/15/58/553071558.db2.gz ATYPVVNLFGECEG-UHFFFAOYSA-N 0 3 362.499 2.456 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000296541955 553177048 /nfs/dbraw/zinc/17/70/48/553177048.db2.gz QGWJWVAEWYAISA-CYBMUJFWSA-N 0 3 359.405 2.191 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502939783 561630620 /nfs/dbraw/zinc/63/06/20/561630620.db2.gz MYYANRLXKOPDIL-OAHLLOKOSA-N 0 3 360.458 2.128 20 30 FEEDHN CC(C)C[C@H](Nc1cc(C#N)nc(C2CC2)n1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000601192061 553358294 /nfs/dbraw/zinc/35/82/94/553358294.db2.gz QDZMYUVAXVBFIB-IRXDYDNUSA-N 0 3 370.501 2.215 20 30 FEEDHN C[C@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N(C)C ZINC000298396385 553420303 /nfs/dbraw/zinc/42/03/03/553420303.db2.gz FKFJIKKMSKTBNV-CYBMUJFWSA-N 0 3 371.441 2.089 20 30 FEEDHN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000299346445 553551183 /nfs/dbraw/zinc/55/11/83/553551183.db2.gz MJJXOLQTZYOVEB-OAHLLOKOSA-N 0 3 374.485 2.362 20 30 FEEDHN CN(CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000504095141 561653100 /nfs/dbraw/zinc/65/31/00/561653100.db2.gz PJSHAJNAJGPONN-FQEVSTJZSA-N 0 3 359.470 2.496 20 30 FEEDHN N#Cc1ccc(CNC(=O)CN2CCN(CC3CCCCC3)CC2)cc1 ZINC000299494973 553571245 /nfs/dbraw/zinc/57/12/45/553571245.db2.gz JETJECDLMDIYSF-UHFFFAOYSA-N 0 3 354.498 2.372 20 30 FEEDHN CCCCN(C)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504428407 561658147 /nfs/dbraw/zinc/65/81/47/561658147.db2.gz YKDKHEWHKKTQQK-GOSISDBHSA-N 0 3 371.485 2.085 20 30 FEEDHN CN(CCCNS(=O)(=O)c1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000301308193 553641398 /nfs/dbraw/zinc/64/13/98/553641398.db2.gz PTVRCLHVVMFUMF-UHFFFAOYSA-N 0 3 361.442 2.498 20 30 FEEDHN C[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCN1CC(C)(C)O ZINC000302467575 553718081 /nfs/dbraw/zinc/71/80/81/553718081.db2.gz BWMMZUQOWDFALS-ZDUSSCGKSA-N 0 3 369.425 2.296 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000328722767 553812602 /nfs/dbraw/zinc/81/26/02/553812602.db2.gz XSQRHFWTOZVDIW-OWSLCNJRSA-N 0 3 367.534 2.178 20 30 FEEDHN O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN2CCC1CC2)C1CCCCC1 ZINC000328755094 553817202 /nfs/dbraw/zinc/81/72/02/553817202.db2.gz FCFNLUVXXHPKGW-SFHVURJKSA-N 0 3 373.501 2.164 20 30 FEEDHN O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN2CCC1CC2)C1CCCCC1 ZINC000328755094 553817205 /nfs/dbraw/zinc/81/72/05/553817205.db2.gz FCFNLUVXXHPKGW-SFHVURJKSA-N 0 3 373.501 2.164 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328819715 553827219 /nfs/dbraw/zinc/82/72/19/553827219.db2.gz ONUIGLUXKVHRPK-SJLPKXTDSA-N 0 3 365.518 2.435 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000328938657 553849341 /nfs/dbraw/zinc/84/93/41/553849341.db2.gz DMLMJBNKJDSMDJ-HLIPFELVSA-N 0 3 368.437 2.360 20 30 FEEDHN CN(C)C1(CNC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CCC1 ZINC000329006557 553863396 /nfs/dbraw/zinc/86/33/96/553863396.db2.gz NBAZZCFZBHZZJX-CRAIPNDOSA-N 0 3 373.501 2.303 20 30 FEEDHN CO[C@H]1C[C@@H](CN(C)CC(=O)Nc2ccc3c(c2)OCCCO3)N(C)C1 ZINC000329053116 553872144 /nfs/dbraw/zinc/87/21/44/553872144.db2.gz XAQQAMTUEZHYEF-HOTGVXAUSA-N 0 3 363.458 2.087 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H]1N(C)C ZINC000329098376 553879882 /nfs/dbraw/zinc/87/98/82/553879882.db2.gz YSRNCSPUDOMJAZ-KGLIPLIRSA-N 0 3 366.462 2.209 20 30 FEEDHN C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)N1CCC(C)CC1 ZINC000329124649 553884850 /nfs/dbraw/zinc/88/48/50/553884850.db2.gz LYNBAZPBDGLVSL-AJYBTWMASA-N 0 3 367.534 2.273 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000329157121 553891613 /nfs/dbraw/zinc/89/16/13/553891613.db2.gz CGYAAIMJJYFLME-XSYGEPLQSA-N 0 3 365.518 2.169 20 30 FEEDHN CCCN1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 ZINC000329198427 553900515 /nfs/dbraw/zinc/90/05/15/553900515.db2.gz WOTDMOVTBPVOGL-SFHVURJKSA-N 0 3 358.486 2.499 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCCN3C3CCCC3)CC2)nc1 ZINC000329214020 553903683 /nfs/dbraw/zinc/90/36/83/553903683.db2.gz KLJDNWSHURHBOJ-LJQANCHMSA-N 0 3 367.497 2.399 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329237927 553908368 /nfs/dbraw/zinc/90/83/68/553908368.db2.gz PHLXLRLBWBMIMS-IAGOWNOFSA-N 0 3 365.522 2.045 20 30 FEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329255183 553911615 /nfs/dbraw/zinc/91/16/15/553911615.db2.gz DHGYOCATBKXESX-GDBMZVCRSA-N 0 3 357.520 2.162 20 30 FEEDHN C[C@H](NC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000329280831 553916640 /nfs/dbraw/zinc/91/66/40/553916640.db2.gz DUFHNDMOGAGOPZ-LBTFIDRMSA-N 0 3 355.548 2.395 20 30 FEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000329294144 553919235 /nfs/dbraw/zinc/91/92/35/553919235.db2.gz RUWGQFKTAYUSBK-GDBMZVCRSA-N 0 3 358.490 2.292 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000329311921 553923262 /nfs/dbraw/zinc/92/32/62/553923262.db2.gz ZXPQWLGASGIESA-XHSDSOJGSA-N 0 3 373.563 2.071 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)[C@H]2C1 ZINC000329537684 553963813 /nfs/dbraw/zinc/96/38/13/553963813.db2.gz MGPJJVRQCDUNDX-OAGGEKHMSA-N 0 3 359.518 2.435 20 30 FEEDHN C[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C2CCCCC2)C[C@H](C)S1(=O)=O ZINC000329625532 553978942 /nfs/dbraw/zinc/97/89/42/553978942.db2.gz SUWZGTWWXMAWJR-UXLLHSPISA-N 0 3 371.547 2.205 20 30 FEEDHN C[C@H]1CN2CCCC[C@H]2CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000329667920 553985439 /nfs/dbraw/zinc/98/54/39/553985439.db2.gz RTTYVHLRRZXALM-ZFWWWQNUSA-N 0 3 374.441 2.476 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)Cc2cc(F)cc3c2OCOC3)CC1 ZINC000329673559 553986542 /nfs/dbraw/zinc/98/65/42/553986542.db2.gz VABLCSILCLLJNJ-QGZVFWFLSA-N 0 3 366.433 2.284 20 30 FEEDHN O=C(NC1CCC2(CC1)NC(=O)NC2=O)N1CC[C@H](N2CCCCC2)C1 ZINC000329699039 553991046 /nfs/dbraw/zinc/99/10/46/553991046.db2.gz FZQIKOTXLKJVDB-FVRSWCFKSA-N 0 3 363.462 2.026 20 30 FEEDHN CC(C)(C)n1cnc(NC(=O)NCC2CCN(c3ccncc3)CC2)n1 ZINC000329731469 553996741 /nfs/dbraw/zinc/99/67/41/553996741.db2.gz GRDPZBOKCSQCJH-UHFFFAOYSA-N 0 3 357.462 2.671 20 30 FEEDHN C[C@H](NC(=O)N1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000329752302 554000092 /nfs/dbraw/zinc/00/00/92/554000092.db2.gz WEPCUBGGRTXPGW-UXLLHSPISA-N 0 3 371.547 2.062 20 30 FEEDHN CN1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)[C@@H]1c1ccccc1 ZINC000329761661 554001147 /nfs/dbraw/zinc/00/11/47/554001147.db2.gz RSFXGCKGPGOHSH-KNJMJIDISA-N 0 3 373.497 2.208 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC000329865354 554021569 /nfs/dbraw/zinc/02/15/69/554021569.db2.gz AEVLXJISLQDNDN-IMFGXOCKSA-N 0 3 359.470 2.227 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCO[C@H](c3nnc(C(C)C)o3)C2)CC1 ZINC000329893435 554025863 /nfs/dbraw/zinc/02/58/63/554025863.db2.gz AQIREDDUQSYIFD-HNNXBMFYSA-N 0 3 365.478 2.007 20 30 FEEDHN CC(C)c1nnc([C@@H]2CN(C(=O)NC3CCN(C4CC4)CC3)CCO2)o1 ZINC000329894743 554026203 /nfs/dbraw/zinc/02/62/03/554026203.db2.gz BPAFIJHULRFTRU-HNNXBMFYSA-N 0 3 363.462 2.107 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)CN2Cc3ccccc3C2=O)CC1 ZINC000329990047 554045111 /nfs/dbraw/zinc/04/51/11/554045111.db2.gz IQZZMQZCQLSWLG-UHFFFAOYSA-N 0 3 358.486 2.015 20 30 FEEDHN CN(C)[C@@]1(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)CCSC1 ZINC000330049544 554054823 /nfs/dbraw/zinc/05/48/23/554054823.db2.gz KXQKHAGSDOARGD-YWCUFVOSSA-N 0 3 354.476 2.193 20 30 FEEDHN CN(C)[C@]1(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)CCSC1 ZINC000330056040 554056092 /nfs/dbraw/zinc/05/60/92/554056092.db2.gz VFZBBYHETVAZQX-SFHVURJKSA-N 0 3 368.547 2.308 20 30 FEEDHN Cc1cccc2nc(CNC(=O)C(C)S(=O)(=O)C3CCOCC3)cn21 ZINC000330086893 554062150 /nfs/dbraw/zinc/06/21/50/554062150.db2.gz SNAOJVDPQUFEDE-CYBMUJFWSA-N 0 3 365.455 2.082 20 30 FEEDHN CC(C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000330163890 554076783 /nfs/dbraw/zinc/07/67/83/554076783.db2.gz SVEJBYXCNCWMTD-XUWVNRHRSA-N 0 3 374.547 2.292 20 30 FEEDHN CC[C@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)c1c(C)nn(C)c1C ZINC000330163527 554076793 /nfs/dbraw/zinc/07/67/93/554076793.db2.gz VERROAYQEOCNAS-ZFWWWQNUSA-N 0 3 371.503 2.427 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1=O ZINC000330232943 554089971 /nfs/dbraw/zinc/08/99/71/554089971.db2.gz FSGJTJHOMTUZRZ-MSOLQXFVSA-N 0 3 358.486 2.336 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000330248004 554092835 /nfs/dbraw/zinc/09/28/35/554092835.db2.gz LZSBUNJMLDXJQA-PVAVHDDUSA-N 0 3 356.470 2.089 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1=O ZINC000330253913 554093382 /nfs/dbraw/zinc/09/33/82/554093382.db2.gz OYCHZDNOYWKWHR-BPQIPLTHSA-N 0 3 358.486 2.335 20 30 FEEDHN Cc1nc(CCNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cs1 ZINC000330258663 554094688 /nfs/dbraw/zinc/09/46/88/554094688.db2.gz MRQBGSUQQFNTKW-CYBMUJFWSA-N 0 3 352.504 2.093 20 30 FEEDHN C[C@H](CNC(=O)N1CCC[C@@H](Oc2ncccc2F)C1)N(C)C1CC1 ZINC000330273853 554097398 /nfs/dbraw/zinc/09/73/98/554097398.db2.gz ZUYVWXMXKKELGY-UKRRQHHQSA-N 0 3 350.438 2.461 20 30 FEEDHN CN1C(=O)CO[C@H](C(=O)NCCN2CCCCCC2)[C@H]1c1ccccc1 ZINC000330315855 554104211 /nfs/dbraw/zinc/10/42/11/554104211.db2.gz YZQXMQKOMWKUGO-MOPGFXCFSA-N 0 3 359.470 2.417 20 30 FEEDHN COC(=O)c1cc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)ccc1C ZINC000330835404 554177427 /nfs/dbraw/zinc/17/74/27/554177427.db2.gz WSKDZJNHBFNZFN-GJZGRUSLSA-N 0 3 351.472 2.305 20 30 FEEDHN CC(C)NC(=O)NC1(C(=O)N(C)C[C@@H]2CCCN(C)C2)CCCCC1 ZINC000331007902 554200446 /nfs/dbraw/zinc/20/04/46/554200446.db2.gz QOYJKNHAGVNWOK-MRXNPFEDSA-N 0 3 352.523 2.402 20 30 FEEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000331099126 554212387 /nfs/dbraw/zinc/21/23/87/554212387.db2.gz CAENOMULJWEFIO-HNAYVOBHSA-N 0 3 364.511 2.499 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C(C)(C)O)cc1 ZINC000331175558 554225930 /nfs/dbraw/zinc/22/59/30/554225930.db2.gz KZFWAQKZAZHFDM-DOMZBBRYSA-N 0 3 365.455 2.140 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000331189702 554228100 /nfs/dbraw/zinc/22/81/00/554228100.db2.gz QDLCVECXFZJEEW-DVOMOZLQSA-N 0 3 365.455 2.249 20 30 FEEDHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000331282538 554241284 /nfs/dbraw/zinc/24/12/84/554241284.db2.gz DLEFSDCYYHIYCD-HNAYVOBHSA-N 0 3 351.491 2.462 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000331290634 554242529 /nfs/dbraw/zinc/24/25/29/554242529.db2.gz KFQRQACNMGLNDH-ZIAGYGMSSA-N 0 3 353.463 2.237 20 30 FEEDHN CN(C)C(=O)C1(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)CCCC1 ZINC000331319014 554246588 /nfs/dbraw/zinc/24/65/88/554246588.db2.gz KLWRBPHRRWZLRI-OAHLLOKOSA-N 0 3 352.523 2.259 20 30 FEEDHN Cc1nc(C(=O)NCC2CCN(CCO)CC2)c(Br)s1 ZINC000331353775 554249821 /nfs/dbraw/zinc/24/98/21/554249821.db2.gz PDSSYAJKIAEHAX-UHFFFAOYSA-N 0 3 362.293 2.223 20 30 FEEDHN C=CCn1c(CC2CC2)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000508882371 561776611 /nfs/dbraw/zinc/77/66/11/561776611.db2.gz WVJZYKQRZVAWGD-UHFFFAOYSA-N 0 3 354.458 2.147 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000331872035 554335859 /nfs/dbraw/zinc/33/58/59/554335859.db2.gz HDGXLNSFGZAJQJ-AWEZNQCLSA-N 0 3 366.469 2.128 20 30 FEEDHN C=CCOc1ccc(CNC(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000509340661 561795741 /nfs/dbraw/zinc/79/57/41/561795741.db2.gz BJVZDFWSDBWLHL-GOSISDBHSA-N 0 3 361.486 2.143 20 30 FEEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509405961 561798232 /nfs/dbraw/zinc/79/82/32/561798232.db2.gz VVSWYDGPISHPDW-HNNXBMFYSA-N 0 3 372.560 2.371 20 30 FEEDHN CCN(CCN1CCCCCC1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000509759912 561813026 /nfs/dbraw/zinc/81/30/26/561813026.db2.gz QOCPRJYQIILKJI-UHFFFAOYSA-N 0 3 368.481 2.172 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)ccc1C(F)(F)F ZINC000332322167 554425169 /nfs/dbraw/zinc/42/51/69/554425169.db2.gz ZUFBUWNETWDOTJ-GJZGRUSLSA-N 0 3 373.400 2.482 20 30 FEEDHN C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CCN1C1CCN(C)CC1 ZINC000332402304 554439746 /nfs/dbraw/zinc/43/97/46/554439746.db2.gz WBLQSKJPHKCEPK-BEFAXECRSA-N 0 3 355.486 2.235 20 30 FEEDHN Cc1ccccc1[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000332669019 554493943 /nfs/dbraw/zinc/49/39/43/554493943.db2.gz MPTHQFGRRFPGDP-FPOVZHCZSA-N 0 3 368.525 2.477 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)CC1 ZINC000333693145 554634163 /nfs/dbraw/zinc/63/41/63/554634163.db2.gz MSZWUUBXUQTWSN-NRFANRHFSA-N 0 3 358.530 2.337 20 30 FEEDHN C[C@H]1NCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@H]1C ZINC000333822685 554646861 /nfs/dbraw/zinc/64/68/61/554646861.db2.gz RLIMUJAVNNIJKS-VBJONLRCSA-N 0 3 357.458 2.035 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@]2(C)CCCN2Cc2ccccc2)C1=O ZINC000348391851 554683978 /nfs/dbraw/zinc/68/39/78/554683978.db2.gz RBHBICAESHCREQ-PXNSSMCTSA-N 0 3 357.454 2.164 20 30 FEEDHN C=CCn1c(C)cc(C(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000362701692 554981391 /nfs/dbraw/zinc/98/13/91/554981391.db2.gz JDWJUCAWSHJWFE-LAUBAEHRSA-N 0 3 372.557 2.431 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000362971807 555004574 /nfs/dbraw/zinc/00/45/74/555004574.db2.gz YXUDMVFURRREMY-RBUKOAKNSA-N 0 3 356.470 2.343 20 30 FEEDHN N#Cc1cccnc1N1CCCN(C[C@H](O)CCc2ccccc2)CC1 ZINC000363783370 555185435 /nfs/dbraw/zinc/18/54/35/555185435.db2.gz WEMSYVYXOIUOBY-HXUWFJFHSA-N 0 3 350.466 2.459 20 30 FEEDHN CCN1CCc2c(cccc2-n2nnc(C(=O)NC3(C#N)CCC3)c2C)C1 ZINC000364174516 555263439 /nfs/dbraw/zinc/26/34/39/555263439.db2.gz GOOYLKFMWARZKS-UHFFFAOYSA-N 0 3 364.453 2.130 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000364429231 555312212 /nfs/dbraw/zinc/31/22/12/555312212.db2.gz XJJCCRSOVHQYAE-OXJNMPFZSA-N 0 3 367.497 2.263 20 30 FEEDHN CN(Cc1cc(C#N)n(C)c1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000365256328 555524258 /nfs/dbraw/zinc/52/42/58/555524258.db2.gz MLWVLHRUNASRFG-INIZCTEOSA-N 0 3 354.458 2.254 20 30 FEEDHN N#Cc1ccc(SCC(=O)N2CCCN(C3CCOCC3)CC2)cc1 ZINC000365402059 555565589 /nfs/dbraw/zinc/56/55/89/555565589.db2.gz YNHNMHIBCDBKNF-UHFFFAOYSA-N 0 3 359.495 2.364 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@]2(N(C)C)CCOc3ccccc32)CC1 ZINC000365529048 555600064 /nfs/dbraw/zinc/60/00/64/555600064.db2.gz SUCLJXLHUJRRRH-NRFANRHFSA-N 0 3 357.498 2.383 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000513438496 561938289 /nfs/dbraw/zinc/93/82/89/561938289.db2.gz KIOLRMAGIXRBFB-UHFFFAOYSA-N 0 3 372.513 2.355 20 30 FEEDHN CCCC(=O)N1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000366328100 555813142 /nfs/dbraw/zinc/81/31/42/555813142.db2.gz QALLTSOTJHJANJ-GOSISDBHSA-N 0 3 352.438 2.102 20 30 FEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000366469910 555853421 /nfs/dbraw/zinc/85/34/21/555853421.db2.gz UGEBBBUBJIZGIN-BPAFIMBUSA-N 0 3 353.422 2.037 20 30 FEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000514793077 561980015 /nfs/dbraw/zinc/98/00/15/561980015.db2.gz GNDLQCHMDQEHBJ-HAGHYFMRSA-N 0 3 364.449 2.004 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)CC1 ZINC000367618344 556098290 /nfs/dbraw/zinc/09/82/90/556098290.db2.gz OXFQLQRZPBLMFO-GOSISDBHSA-N 0 3 374.529 2.069 20 30 FEEDHN COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000367711502 556120753 /nfs/dbraw/zinc/12/07/53/556120753.db2.gz CWAYETRYFVKAFU-QGZVFWFLSA-N 0 3 357.435 2.474 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)o1 ZINC000368086382 556214933 /nfs/dbraw/zinc/21/49/33/556214933.db2.gz XBMCINGQQMCYQV-DLBZAZTESA-N 0 3 371.462 2.294 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000368221059 556251751 /nfs/dbraw/zinc/25/17/51/556251751.db2.gz HBAZVGYJMFWXDE-UHFFFAOYSA-N 0 3 355.486 2.440 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1Cl ZINC000368975636 556464703 /nfs/dbraw/zinc/46/47/03/556464703.db2.gz RSUSGORMQDKHGK-RVSPLBMKSA-N 0 3 360.845 2.126 20 30 FEEDHN CCc1nc(CN2CCC[C@H](N(C)CCOc3ccccc3C#N)C2)no1 ZINC000369237233 556544783 /nfs/dbraw/zinc/54/47/83/556544783.db2.gz PYGZNOLRBPZSRY-KRWDZBQOSA-N 0 3 369.469 2.479 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](c2noc(C3CC3)n2)c2ccccc2)CC1 ZINC000369296221 556567515 /nfs/dbraw/zinc/56/75/15/556567515.db2.gz ALHRFZPEBVRCBB-GOSISDBHSA-N 0 3 364.449 2.498 20 30 FEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCN(c2cnccn2)CC1 ZINC000369297820 556567688 /nfs/dbraw/zinc/56/76/88/556567688.db2.gz IIKGHQRRIXUPQW-SFHVURJKSA-N 0 3 374.448 2.158 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000369591824 556641045 /nfs/dbraw/zinc/64/10/45/556641045.db2.gz NAFKZYHAOFPORB-GOSISDBHSA-N 0 3 373.884 2.297 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000369755731 556686128 /nfs/dbraw/zinc/68/61/28/556686128.db2.gz ASFZOAQPFVPADF-LPHOPBHVSA-N 0 3 373.522 2.262 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000370185307 556805156 /nfs/dbraw/zinc/80/51/56/556805156.db2.gz QPYRJKOUECLFNG-PMACEKPBSA-N 0 3 372.428 2.158 20 30 FEEDHN CN(C)c1cc(C#N)cc(C(=O)Nc2cnccc2N2CCN(C)CC2)c1 ZINC000516904286 562063852 /nfs/dbraw/zinc/06/38/52/562063852.db2.gz NCHMGRKYQRIDJT-UHFFFAOYSA-N 0 3 364.453 2.023 20 30 FEEDHN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)CCOCCC#N ZINC000517043169 562073157 /nfs/dbraw/zinc/07/31/57/562073157.db2.gz IYRJLCNCBPBZII-OAHLLOKOSA-N 0 3 351.472 2.150 20 30 FEEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](C3CC3)C2)CC1 ZINC000371474075 557192966 /nfs/dbraw/zinc/19/29/66/557192966.db2.gz VSZWSIJBMPRSQP-IRXDYDNUSA-N 0 3 358.511 2.189 20 30 FEEDHN Cc1cc(CN2CCC(N(C)CC(=O)Nc3sccc3C#N)CC2)on1 ZINC000371861884 557313689 /nfs/dbraw/zinc/31/36/89/557313689.db2.gz YOPVXQZGYBHXTM-UHFFFAOYSA-N 0 3 373.482 2.451 20 30 FEEDHN C=CCCOCCNC(=O)NCC1(N2CCN(C)CC2)CCCCCC1 ZINC000372885405 557582086 /nfs/dbraw/zinc/58/20/86/557582086.db2.gz WAZYWHBMOZYOBP-UHFFFAOYSA-N 0 3 366.550 2.219 20 30 FEEDHN COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000373181660 557645153 /nfs/dbraw/zinc/64/51/53/557645153.db2.gz VHZXSUJISGZNSW-MRXNPFEDSA-N 0 3 361.398 2.305 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000373254149 557659174 /nfs/dbraw/zinc/65/91/74/557659174.db2.gz GQMDFFCWLIYZRY-SFHLNBCPSA-N 0 3 358.482 2.063 20 30 FEEDHN COC(=O)[C@]12CCC[C@H]1CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000373403403 557687655 /nfs/dbraw/zinc/68/76/55/557687655.db2.gz HEEDZXBFIYLKCC-ZWOKBUDYSA-N 0 3 351.406 2.042 20 30 FEEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC(=O)N(CCC#N)CCC#N)C1 ZINC000373909824 557784804 /nfs/dbraw/zinc/78/48/04/557784804.db2.gz DSLIRZGBMNPXDI-MKXGPGLRSA-N 0 3 360.502 2.294 20 30 FEEDHN CN(C)c1noc([C@H]2CCCN(CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000374634651 557909708 /nfs/dbraw/zinc/90/97/08/557909708.db2.gz AAXOFJKSEQHVBB-HNNXBMFYSA-N 0 3 368.441 2.215 20 30 FEEDHN COC(=O)[C@]12CCC[C@H]1CN([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000374645882 557911657 /nfs/dbraw/zinc/91/16/57/557911657.db2.gz KCKWEICNXAZWBF-DEYYWGMASA-N 0 3 359.451 2.000 20 30 FEEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000374851163 557940926 /nfs/dbraw/zinc/94/09/26/557940926.db2.gz ORACERJELPYXQL-CTNGQTDRSA-N 0 3 370.497 2.325 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCN([C@@H](C)CO)CC2)cc1 ZINC000375492832 558036917 /nfs/dbraw/zinc/03/69/17/558036917.db2.gz GNJNMBQPGQVRSL-OALUTQOASA-N 0 3 372.513 2.019 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccnc2-n2cccn2)cc1 ZINC000375670838 558065175 /nfs/dbraw/zinc/06/51/75/558065175.db2.gz DPQIKSNKXZJTAL-GOSISDBHSA-N 0 3 356.389 2.138 20 30 FEEDHN C#CCCCS(=O)(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000376289767 558153105 /nfs/dbraw/zinc/15/31/05/558153105.db2.gz MHGZZBLPABYUCV-KRWDZBQOSA-N 0 3 362.495 2.307 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOCC3(CC3)C2)cc1 ZINC000376584390 558194112 /nfs/dbraw/zinc/19/41/12/558194112.db2.gz ORQDTXXIQGYEJN-CYBMUJFWSA-N 0 3 363.439 2.017 20 30 FEEDHN N#CC1(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CCOCC1 ZINC000522044334 562190045 /nfs/dbraw/zinc/19/00/45/562190045.db2.gz NAYGJLYIJBMIKE-UHFFFAOYSA-N 0 3 357.454 2.098 20 30 FEEDHN C=CCN(C(=O)CCCCNC(N)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000377573134 558368817 /nfs/dbraw/zinc/36/88/17/558368817.db2.gz NANKJZYQJLCIOA-SFHVURJKSA-N 0 3 358.486 2.114 20 30 FEEDHN Cc1cc(=NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)[nH]n1CCC#N ZINC000377578231 558370009 /nfs/dbraw/zinc/37/00/09/558370009.db2.gz BKELKWNAXHHNNN-WMZOPIPTSA-N 0 3 366.469 2.890 20 30 FEEDHN CN1CC[C@@H](NCC(=O)NC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377676381 558394129 /nfs/dbraw/zinc/39/41/29/558394129.db2.gz QDDQQXHWQDUROT-NVXWUHKLSA-N 0 3 364.852 2.376 20 30 FEEDHN CN1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000377759876 558413674 /nfs/dbraw/zinc/41/36/74/558413674.db2.gz IAUQVCDZXVUQFT-YOEHRIQHSA-N 0 3 368.462 2.367 20 30 FEEDHN COc1ccc(CN[C@H]2CCN(c3ccn(C)n3)C2)cc1OCCCC#N ZINC000377794749 558421079 /nfs/dbraw/zinc/42/10/79/558421079.db2.gz LXYHJFTWVFPETF-KRWDZBQOSA-N 0 3 369.469 2.480 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN2c2ncnc3ccccc32)CC1 ZINC000378229594 558506931 /nfs/dbraw/zinc/50/69/31/558506931.db2.gz GBPRAGATSJUMOV-LJQANCHMSA-N 0 3 365.481 2.365 20 30 FEEDHN CCCN1CCN(C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000378274961 558517178 /nfs/dbraw/zinc/51/71/78/558517178.db2.gz SEGYGJHUGABBAT-UHFFFAOYSA-N 0 3 354.498 2.385 20 30 FEEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409583478 558704904 /nfs/dbraw/zinc/70/49/04/558704904.db2.gz USKNKHKCVRWVRD-KRWDZBQOSA-N 0 3 366.531 2.167 20 30 FEEDHN CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000409841663 558722512 /nfs/dbraw/zinc/72/25/12/558722512.db2.gz XGQYPUOUWUMMJB-RYRKJORJSA-N 0 3 366.469 2.395 20 30 FEEDHN C=CCN(C)CCN(CC)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000411645050 558935213 /nfs/dbraw/zinc/93/52/13/558935213.db2.gz SCWQRJMTHFIMRU-UHFFFAOYSA-N 0 3 366.469 2.461 20 30 FEEDHN N#Cc1ccc(CC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000412770074 559055253 /nfs/dbraw/zinc/05/52/53/559055253.db2.gz GDMLNZXCEOEODX-UHFFFAOYSA-N 0 3 363.461 2.244 20 30 FEEDHN CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)[C@@H](C)CN)sc2C1 ZINC000415419990 559233587 /nfs/dbraw/zinc/23/35/87/559233587.db2.gz RTQFJAOYSKBHNA-NWDGAFQWSA-N 0 3 362.499 2.125 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)cc1C(F)(F)F ZINC000415838574 559277092 /nfs/dbraw/zinc/27/70/92/559277092.db2.gz LNMOKFJSCKVMKO-AWEZNQCLSA-N 0 3 368.359 2.149 20 30 FEEDHN CNCc1cccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000415935101 559283281 /nfs/dbraw/zinc/28/32/81/559283281.db2.gz SOQXXQARIOXDGI-KRWDZBQOSA-N 0 3 351.410 2.358 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419967737 559466911 /nfs/dbraw/zinc/46/69/11/559466911.db2.gz OPEOQKCYAWENNY-IBGZPJMESA-N 0 3 373.497 2.234 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNCc2ccc(C#N)c(F)c2)c1 ZINC000421322917 559539135 /nfs/dbraw/zinc/53/91/35/559539135.db2.gz HJFNGRPRFXVMOE-UHFFFAOYSA-N 0 3 354.429 2.279 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000421508532 559544043 /nfs/dbraw/zinc/54/40/43/559544043.db2.gz FIOCWNZBMZSYDQ-IEBWSBKVSA-N 0 3 357.498 2.138 20 30 FEEDHN CCOC(=O)c1c(NC(=O)C2CCN(C3CC3)CC2)c(C#N)cn1CC ZINC000421724846 559550928 /nfs/dbraw/zinc/55/09/28/559550928.db2.gz FMNGCDBCBNQFNA-UHFFFAOYSA-N 0 3 358.442 2.369 20 30 FEEDHN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000424117628 559655331 /nfs/dbraw/zinc/65/53/31/559655331.db2.gz BOMCWPCURYNFNR-HOTGVXAUSA-N 0 3 363.531 2.191 20 30 FEEDHN CN(C)C(=O)C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)c2ccc(Cl)cc21 ZINC000424120086 559655336 /nfs/dbraw/zinc/65/53/36/559655336.db2.gz GPNSWSMHANIVPB-IUODEOHRSA-N 0 3 362.861 2.270 20 30 FEEDHN CCOC(=O)c1ccn(-c2ccccc2NC(=O)[C@@H](N)CCCC#N)n1 ZINC000424143343 559656116 /nfs/dbraw/zinc/65/61/16/559656116.db2.gz QVRRIWPNGVWFQT-ZDUSSCGKSA-N 0 3 355.398 2.009 20 30 FEEDHN C=CCC1(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CCOCC1 ZINC000424619547 559671443 /nfs/dbraw/zinc/67/14/43/559671443.db2.gz BQJBHTJASXSAJI-UHFFFAOYSA-N 0 3 373.453 2.468 20 30 FEEDHN C=CCC1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CCOCC1 ZINC000424635561 559671778 /nfs/dbraw/zinc/67/17/78/559671778.db2.gz ZVKRHVLWVNXLOM-UHFFFAOYSA-N 0 3 372.513 2.083 20 30 FEEDHN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425379165 559698825 /nfs/dbraw/zinc/69/88/25/559698825.db2.gz DCOJUZSQCFVAEK-RBUKOAKNSA-N 0 3 355.482 2.144 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000425874535 559723694 /nfs/dbraw/zinc/72/36/94/559723694.db2.gz RMLOTUPANMVMNN-JKSUJKDBSA-N 0 3 356.470 2.068 20 30 FEEDHN COC(=O)[C@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1C(C)C ZINC000429396746 559797841 /nfs/dbraw/zinc/79/78/41/559797841.db2.gz GSQGZSIRACBZQT-BZSNNMDCSA-N 0 3 355.438 2.183 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(Br)cn1 ZINC000429702896 559804286 /nfs/dbraw/zinc/80/42/86/559804286.db2.gz OZNYSAYGNQUBGT-UHFFFAOYSA-N 0 3 355.280 2.222 20 30 FEEDHN COC[C@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@H]1CCCO1 ZINC000434781748 559909212 /nfs/dbraw/zinc/90/92/12/559909212.db2.gz DEOHQTSFKUKYGW-MYTOGIIISA-N 0 3 351.491 2.089 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000437724586 559968653 /nfs/dbraw/zinc/96/86/53/559968653.db2.gz VCSCLVWRAQOFOA-WBVHZDCISA-N 0 3 353.507 2.156 20 30 FEEDHN CN(C)CCn1nnnc1SCc1ccc(C#N)cc1OC(F)F ZINC000439543551 559996584 /nfs/dbraw/zinc/99/65/84/559996584.db2.gz QPOCXCIFYSTYCJ-UHFFFAOYSA-N 0 3 354.386 2.000 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(C)cc2N2CCOCC2)CC1 ZINC000441082849 560023138 /nfs/dbraw/zinc/02/31/38/560023138.db2.gz YXUPVMHHCRPNIY-UHFFFAOYSA-N 0 3 372.513 2.281 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CCN1C ZINC000442126012 560044480 /nfs/dbraw/zinc/04/44/80/560044480.db2.gz FZJIEERDIUESCK-KBPBESRZSA-N 0 3 360.483 2.230 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1C ZINC000442151250 560045088 /nfs/dbraw/zinc/04/50/88/560045088.db2.gz INXLALGEWUCRGS-MFKMUULPSA-N 0 3 368.359 2.114 20 30 FEEDHN CN(C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCCC1 ZINC000443096212 560070447 /nfs/dbraw/zinc/07/04/47/560070447.db2.gz UPFMNHRHJCLCKV-UHFFFAOYSA-N 0 3 366.443 2.009 20 30 FEEDHN CN1CCC(O)(CNC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000444286366 560108091 /nfs/dbraw/zinc/10/80/91/560108091.db2.gz AVTDLUHAECJZFQ-UHFFFAOYSA-N 0 3 354.454 2.132 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NCCN3CCCC(C)(C)C3)cc2C1=O ZINC000444616441 560116702 /nfs/dbraw/zinc/11/67/02/560116702.db2.gz IORMRDVXOOZDKS-UHFFFAOYSA-N 0 3 369.465 2.320 20 30 FEEDHN COc1cccc([C@H](CNC(=O)Cc2ccc(C#N)nc2)N2CCCC2)c1 ZINC000527683750 562300078 /nfs/dbraw/zinc/30/00/78/562300078.db2.gz LSBCLYJXDJZXLK-FQEVSTJZSA-N 0 3 364.449 2.458 20 30 FEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000448329445 560184818 /nfs/dbraw/zinc/18/48/18/560184818.db2.gz WGLLDQPDCPXUDB-HNNXBMFYSA-N 0 3 373.501 2.290 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CCC2)nc1 ZINC000448727185 560196793 /nfs/dbraw/zinc/19/67/93/560196793.db2.gz WGZZMTOYAAOCMQ-UHFFFAOYSA-N 0 3 363.465 2.367 20 30 FEEDHN COCCN(C)CC[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC000448907358 560206207 /nfs/dbraw/zinc/20/62/07/560206207.db2.gz HYYDVRPTYRMQJQ-GOSISDBHSA-N 0 3 354.454 2.336 20 30 FEEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)n1C ZINC000448951014 560208569 /nfs/dbraw/zinc/20/85/69/560208569.db2.gz OLNWIFXRNPFIGL-GOSISDBHSA-N 0 3 351.454 2.418 20 30 FEEDHN C[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)N(C)C1CC1 ZINC000449834058 560241935 /nfs/dbraw/zinc/24/19/35/560241935.db2.gz IWQLLZLLTOITDT-LLVKDONJSA-N 0 3 366.259 2.298 20 30 FEEDHN CC(C)Oc1ccc2nccc(NCCCc3[nH]nc(N)c3C#N)c2c1 ZINC000450223250 560254526 /nfs/dbraw/zinc/25/45/26/560254526.db2.gz KHUKMRNGLJYURY-UHFFFAOYSA-N 0 3 350.426 2.666 20 30 FEEDHN CN(C)Cc1ccc(N2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)nc1 ZINC000450320825 560258411 /nfs/dbraw/zinc/25/84/11/560258411.db2.gz PKRYFBLGHOHYHI-UHFFFAOYSA-N 0 3 366.425 2.250 20 30 FEEDHN C[C@@H]1[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCCN1C ZINC000450547015 560265845 /nfs/dbraw/zinc/26/58/45/560265845.db2.gz LUOTZBZXGVSWRV-RISCZKNCSA-N 0 3 366.259 2.298 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3cc(C#N)cc(C)n3)C2)CC1 ZINC000450770177 560272731 /nfs/dbraw/zinc/27/27/31/560272731.db2.gz IGBABKUFMHJJDW-SFHVURJKSA-N 0 3 355.486 2.032 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000451176442 560291448 /nfs/dbraw/zinc/29/14/48/560291448.db2.gz DUAAKWLBEYOZGZ-SFHVURJKSA-N 0 3 352.438 2.216 20 30 FEEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000451512403 560311302 /nfs/dbraw/zinc/31/13/02/560311302.db2.gz XLJQSONYMDTKTB-HZPDHXFCSA-N 0 3 353.426 2.086 20 30 FEEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000451592012 560316427 /nfs/dbraw/zinc/31/64/27/560316427.db2.gz PQOAIWRNENYEHL-SJORKVTESA-N 0 3 364.467 2.043 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]([C@H](CO)C3CC3)C3CC3)C2=O)cc1 ZINC000451614817 560317491 /nfs/dbraw/zinc/31/74/91/560317491.db2.gz PASRUDXRQUZNED-HSALFYBXSA-N 0 3 353.466 2.440 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000451677548 560321613 /nfs/dbraw/zinc/32/16/13/560321613.db2.gz UYHPKZOAHWNBNB-RTWAWAEBSA-N 0 3 371.525 2.353 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000451682679 560321646 /nfs/dbraw/zinc/32/16/46/560321646.db2.gz SEVYMUNMTCAXKM-CVEARBPZSA-N 0 3 365.861 2.060 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000451996048 560343844 /nfs/dbraw/zinc/34/38/44/560343844.db2.gz PBYPZIIMWGKZII-WDSOQIARSA-N 0 3 356.466 2.464 20 30 FEEDHN Cn1cc(Br)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000452768774 560373489 /nfs/dbraw/zinc/37/34/89/560373489.db2.gz VVPUPDNDFVHAFO-ZDUSSCGKSA-N 0 3 372.226 2.053 20 30 FEEDHN CN(C)C1(CN(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCC1 ZINC000453692155 560397081 /nfs/dbraw/zinc/39/70/81/560397081.db2.gz LOHCCULJSXICGN-UHFFFAOYSA-N 0 3 362.861 2.287 20 30 FEEDHN Cc1nc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)ccc1C#N ZINC000453732166 560400229 /nfs/dbraw/zinc/40/02/29/560400229.db2.gz CVWCNMOVOYDCPW-KBXCAEBGSA-N 0 3 365.437 2.008 20 30 FEEDHN C=CCC1(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCC1 ZINC000454644526 560452674 /nfs/dbraw/zinc/45/26/74/560452674.db2.gz IBYMAMHFKMYHPU-KRWDZBQOSA-N 0 3 364.534 2.365 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000454825408 560459767 /nfs/dbraw/zinc/45/97/67/560459767.db2.gz JPFLDRJRLCVSRK-QGZVFWFLSA-N 0 3 366.469 2.783 20 30 FEEDHN COCC1(C#N)CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CC1 ZINC000455187349 560473230 /nfs/dbraw/zinc/47/32/30/560473230.db2.gz IWWNZQOKKXCPCC-KRWDZBQOSA-N 0 3 350.507 2.459 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000455416231 560481413 /nfs/dbraw/zinc/48/14/13/560481413.db2.gz QXSQMRNLTIPOND-QRVBRYPASA-N 0 3 359.470 2.475 20 30 FEEDHN C=CCC[C@@H](CO)NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000457447157 560567502 /nfs/dbraw/zinc/56/75/02/560567502.db2.gz XZDPRGUODROLSW-PKOBYXMFSA-N 0 3 361.486 2.458 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(CC(F)(F)F)C[C@@H](C)C2)CC1 ZINC000458345446 560615873 /nfs/dbraw/zinc/61/58/73/560615873.db2.gz VGXZIENOOGGWFF-CQSZACIVSA-N 0 3 362.440 2.162 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)CC1 ZINC000458345441 560615915 /nfs/dbraw/zinc/61/59/15/560615915.db2.gz VGXZIENOOGGWFF-AWEZNQCLSA-N 0 3 362.440 2.162 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000462338899 560806693 /nfs/dbraw/zinc/80/66/93/560806693.db2.gz GOBOURBKXKSBDB-HNNXBMFYSA-N 0 3 350.422 2.414 20 30 FEEDHN CCOC(=O)[C@](C)(CN[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000469276877 560951589 /nfs/dbraw/zinc/95/15/89/560951589.db2.gz WOGICVRWUGSGCW-HNAYVOBHSA-N 0 3 357.454 2.048 20 30 FEEDHN CN(C)C(=O)c1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000470753130 560988739 /nfs/dbraw/zinc/98/87/39/560988739.db2.gz AFCDRCOOZINBJO-LJQANCHMSA-N 0 3 360.417 2.259 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1 ZINC000470831723 560990978 /nfs/dbraw/zinc/99/09/78/560990978.db2.gz MOAYFLIDFCKCSO-HNAYVOBHSA-N 0 3 360.417 2.062 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000473232531 561044999 /nfs/dbraw/zinc/04/49/99/561044999.db2.gz XYJRPJLRXWLADI-CQSZACIVSA-N 0 3 374.360 2.341 20 30 FEEDHN Cc1cc(NC(=O)c2cnn(C)c2C#N)ccc1OCCN1CCCC1 ZINC000476093615 561111114 /nfs/dbraw/zinc/11/11/14/561111114.db2.gz ZIWKIKUXOUGMSL-UHFFFAOYSA-N 0 3 353.426 2.327 20 30 FEEDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000476616159 561124430 /nfs/dbraw/zinc/12/44/30/561124430.db2.gz ZKNRKVPNRJVPJL-CQSZACIVSA-N 0 3 353.463 2.381 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]3CCN3C3CCCC3)C2)nc1 ZINC000528294607 562321336 /nfs/dbraw/zinc/32/13/36/562321336.db2.gz LLSBXIWRADXJOA-QZTJIDSGSA-N 0 3 369.469 2.133 20 30 FEEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(C#N)nc1 ZINC000528513263 562333366 /nfs/dbraw/zinc/33/33/66/562333366.db2.gz SFFJIQQLEFILCK-FQEVSTJZSA-N 0 3 363.465 2.404 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)nc1 ZINC000530237817 562403351 /nfs/dbraw/zinc/40/33/51/562403351.db2.gz ZIMQUVLMIXUVII-CGTJXYLNSA-N 0 3 373.865 2.308 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc3c2OC(C)(C)C3)CC1 ZINC000530444157 562411467 /nfs/dbraw/zinc/41/14/67/562411467.db2.gz UBFWYRFNIAYUIZ-UHFFFAOYSA-N 0 3 357.454 2.105 20 30 FEEDHN N#CC1(CS(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000530537976 562415332 /nfs/dbraw/zinc/41/53/32/562415332.db2.gz QVXKOBRZGUYVNT-KDURUIRLSA-N 0 3 373.522 2.464 20 30 FEEDHN Cn1cc(C#N)cc1-c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000545656742 562629615 /nfs/dbraw/zinc/62/96/15/562629615.db2.gz SGICBKNFRDEEOP-UHFFFAOYSA-N 0 3 363.425 2.151 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000602539324 567992738 /nfs/dbraw/zinc/99/27/38/567992738.db2.gz JOIQJOASRVSQKF-OAHLLOKOSA-N 0 3 366.483 2.157 20 30 FEEDHN C[C@@H]1CN(CCCN2CCN(c3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602849388 568000964 /nfs/dbraw/zinc/00/09/64/568000964.db2.gz LAZCYVACKSJYSM-BGYRXZFFSA-N 0 3 355.530 2.117 20 30 FEEDHN C[C@@H]1CN(CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602858782 568003027 /nfs/dbraw/zinc/00/30/27/568003027.db2.gz VDXPJJUGBYWSDU-HLIPFELVSA-N 0 3 354.498 2.488 20 30 FEEDHN N#CC1(C[C@H](O)CN2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000602886097 568005632 /nfs/dbraw/zinc/00/56/32/568005632.db2.gz JCAZKSRLLRWFRA-KBPBESRZSA-N 0 3 366.259 2.352 20 30 FEEDHN CS(=O)(=O)N1CCC[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000568455844 568039770 /nfs/dbraw/zinc/03/97/70/568039770.db2.gz GCFVNDWKWCAIBV-CYBMUJFWSA-N 0 3 361.389 2.091 20 30 FEEDHN COC(=O)c1cccc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c1C#N ZINC000569777930 568423955 /nfs/dbraw/zinc/42/39/55/568423955.db2.gz UTCJXOXTAPSYRG-MOPGFXCFSA-N 0 3 357.454 2.078 20 30 FEEDHN C=CC[N@@H+](CCC(=O)N1CCC[C@@H]1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744135 599566325 /nfs/dbraw/zinc/56/63/25/599566325.db2.gz XLRUTMNDNHSUTI-HNNXBMFYSA-N 0 3 354.458 2.256 20 30 FEEDHN C=CC[N@H+](CCC(=O)N1CCC[C@@H]1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744135 599566326 /nfs/dbraw/zinc/56/63/26/599566326.db2.gz XLRUTMNDNHSUTI-HNNXBMFYSA-N 0 3 354.458 2.256 20 30 FEEDHN CO[C@@H]1COC[C@H]1NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000563083294 674847515 /nfs/dbraw/zinc/84/75/15/674847515.db2.gz FWGGOMUXXWWCKB-KCPJHIHWSA-N 0 3 363.483 2.077 20 30 FEEDHN Cc1c[nH]nc1C=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000814727068 674876409 /nfs/dbraw/zinc/87/64/09/674876409.db2.gz HKZKMYOKHNSPOO-UHFFFAOYSA-N 0 3 356.499 2.181 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCNC(=O)CC1 ZINC000815908662 674983917 /nfs/dbraw/zinc/98/39/17/674983917.db2.gz HCQFMMWPMTUNOR-MWLCHTKSSA-N 0 3 351.765 2.043 20 30 FEEDHN CO[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000816038421 675000731 /nfs/dbraw/zinc/00/07/31/675000731.db2.gz WSACIKASKFRGLR-MJBXVCDLSA-N 0 3 350.365 2.495 20 30 FEEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCC(=O)N(C)C1 ZINC000084060238 670664054 /nfs/dbraw/zinc/66/40/54/670664054.db2.gz NJMQDEIRSUIGRE-AWEZNQCLSA-N 0 3 351.244 2.172 20 30 FEEDHN Cc1cn2c(n1)[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000566114168 675182426 /nfs/dbraw/zinc/18/24/26/675182426.db2.gz BKVQJIYWVGXQMW-MRXNPFEDSA-N 0 3 358.467 2.004 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000124234296 671993298 /nfs/dbraw/zinc/99/32/98/671993298.db2.gz ZZJYVBLALZVCSW-WFASDCNBSA-N 0 3 352.818 2.359 20 30 FEEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCS[C@H]2COCC[C@@H]21 ZINC000131138958 672084468 /nfs/dbraw/zinc/08/44/68/672084468.db2.gz MTVJVEMVRVQEKT-IRXDYDNUSA-N 0 3 355.467 2.289 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000131403861 672087837 /nfs/dbraw/zinc/08/78/37/672087837.db2.gz RSSTXRVOLDPSGO-HNNXBMFYSA-N 0 3 352.479 2.128 20 30 FEEDHN CCN(CCC#N)C(=O)CN(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174824082 672363868 /nfs/dbraw/zinc/36/38/68/672363868.db2.gz KFSIIHIAIYBJRL-UHFFFAOYSA-N 0 3 352.479 2.080 20 30 FEEDHN CN(CCC#N)C(=O)CCN[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000611302688 676031281 /nfs/dbraw/zinc/03/12/81/676031281.db2.gz WQRIYFFIIGEVPC-MRXNPFEDSA-N 0 3 357.376 2.265 20 30 FEEDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000590589079 672593275 /nfs/dbraw/zinc/59/32/75/672593275.db2.gz LKTYMTTTYKZEKO-QMTHXVAHSA-N 0 3 361.389 2.290 20 30 FEEDHN C[S@](=O)c1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000591750280 672707888 /nfs/dbraw/zinc/70/78/88/672707888.db2.gz YKKYNOREBJCVLS-NSYGIPOTSA-N 0 3 358.463 2.020 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)c1ccsc1 ZINC000591911881 672720381 /nfs/dbraw/zinc/72/03/81/672720381.db2.gz JJBRXGLCNFWWTF-RDJZCZTQSA-N 0 3 350.488 2.191 20 30 FEEDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000592523137 672810892 /nfs/dbraw/zinc/81/08/92/672810892.db2.gz KADMKGPOXKJKIA-LBPRGKRZSA-N 0 3 354.376 2.129 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2nc(-c3ccccc3Cl)nn2C)CC1 ZINC000292504091 672997534 /nfs/dbraw/zinc/99/75/34/672997534.db2.gz KCIARLXXEHBMMO-UHFFFAOYSA-N 0 3 357.845 2.419 20 30 FEEDHN CC(C)OC(=O)C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000594047807 673025397 /nfs/dbraw/zinc/02/53/97/673025397.db2.gz ZMBYLVLHCRKZRI-KRWDZBQOSA-N 0 3 366.483 2.288 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000594854577 673165675 /nfs/dbraw/zinc/16/56/75/673165675.db2.gz RHFYWDFWHLENCQ-HNNXBMFYSA-N 0 3 351.447 2.383 20 30 FEEDHN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000595373654 673236249 /nfs/dbraw/zinc/23/62/49/673236249.db2.gz SAFJSZRKRWAAMG-TUAOUCFPSA-N 0 3 355.378 2.383 20 30 FEEDHN CC1CCN(CCNC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595452526 673252508 /nfs/dbraw/zinc/25/25/08/673252508.db2.gz AJLAMITWVSAYDW-UHFFFAOYSA-N 0 3 361.515 2.183 20 30 FEEDHN C=CCNC(=O)NC(=O)CN[C@@H](COc1ccccc1F)C(C)(C)C ZINC000538393114 673438075 /nfs/dbraw/zinc/43/80/75/673438075.db2.gz UZEVADICTKIQJL-HNNXBMFYSA-N 0 3 351.422 2.221 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000744029580 673779729 /nfs/dbraw/zinc/77/97/29/673779729.db2.gz VOVOKYFOYIXJRK-GWCFXTLKSA-N 0 3 351.200 2.227 20 30 FEEDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000601421129 673859738 /nfs/dbraw/zinc/85/97/38/673859738.db2.gz CGXNPLJSNMSAHP-GWCFXTLKSA-N 0 3 361.389 2.290 20 30 FEEDHN Cc1sc(NC(=O)Cn2cc(CNC3CCCC3)nn2)c(C#N)c1C ZINC000603175225 673918687 /nfs/dbraw/zinc/91/86/87/673918687.db2.gz ZUQSLGKKDUZTEB-UHFFFAOYSA-N 0 3 358.471 2.499 20 30 FEEDHN CCOC(=O)[C@H]1[C@@H](N[C@@H]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000818357222 675216006 /nfs/dbraw/zinc/21/60/06/675216006.db2.gz WXAZHCKLFWDEBI-LJISPDSOSA-N 0 3 351.447 2.209 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(Br)cc1OC ZINC000818584237 675226088 /nfs/dbraw/zinc/22/60/88/675226088.db2.gz JEWWOWHLRQKDCE-UHFFFAOYSA-N 0 3 367.287 2.462 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1sccc1NC(=O)c1ccncc1 ZINC000818606251 675228247 /nfs/dbraw/zinc/22/82/47/675228247.db2.gz HIOFCYZSAFDQHW-UHFFFAOYSA-N 0 3 356.451 2.080 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC000818615629 675228892 /nfs/dbraw/zinc/22/88/92/675228892.db2.gz SNOJXPQHLFPBGM-UHFFFAOYSA-N 0 3 355.360 2.349 20 30 FEEDHN CCN1CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819257301 675274745 /nfs/dbraw/zinc/27/47/45/675274745.db2.gz BVFKGXZFRJMSPI-OAHLLOKOSA-N 0 3 352.479 2.128 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)cnc1C1CC1 ZINC000820688459 675379129 /nfs/dbraw/zinc/37/91/29/675379129.db2.gz SFBWYZYUKXPTHJ-UHFFFAOYSA-N 0 3 350.260 2.406 20 30 FEEDHN C=CCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000658389947 678082695 /nfs/dbraw/zinc/08/26/95/678082695.db2.gz WQYJEGHILIDOJW-UHFFFAOYSA-N 0 3 365.861 2.444 20 30 FEEDHN C=CCCC1(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)CCCC1 ZINC000665590753 678972143 /nfs/dbraw/zinc/97/21/43/678972143.db2.gz LFVMFWVEBHPPBE-UHFFFAOYSA-N 0 3 352.523 2.174 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672839712 679396707 /nfs/dbraw/zinc/39/67/07/679396707.db2.gz CSXFMSKNBXJQAB-HNNXBMFYSA-N 0 3 351.878 2.366 20 30 FEEDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=S)Nc1ccccc1C#N ZINC000751012533 680147701 /nfs/dbraw/zinc/14/77/01/680147701.db2.gz VRGVFTYIZWDWCK-UHFFFAOYSA-N 0 3 362.499 2.460 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](CNCc2cnns2)C1 ZINC001024191767 680283211 /nfs/dbraw/zinc/28/32/11/680283211.db2.gz DGGHZKKOBXHCEC-PVAVHDDUSA-N 0 3 364.515 2.238 20 30 FEEDHN COC(=O)C[C@@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000754523054 680361072 /nfs/dbraw/zinc/36/10/72/680361072.db2.gz ZGPNQXSAYVTEPB-QMTHXVAHSA-N 0 3 361.467 2.367 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(OC(F)F)c(OC)c1 ZINC000836199429 680434668 /nfs/dbraw/zinc/43/46/68/680434668.db2.gz FNDQWYXRHWVKDF-UHFFFAOYSA-N 0 3 355.385 2.051 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC000836319926 680450445 /nfs/dbraw/zinc/45/04/45/680450445.db2.gz WJABTDQSGRVINR-AWEZNQCLSA-N 0 3 354.495 2.239 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000836488210 680476203 /nfs/dbraw/zinc/47/62/03/680476203.db2.gz IWXBRJDWNKAZCR-UHFFFAOYSA-N 0 3 359.314 2.468 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CCN(Cc3cnc(C)s3)C2)C1 ZINC001041695895 680508661 /nfs/dbraw/zinc/50/86/61/680508661.db2.gz GYGRPJWQXGJZMM-ZIFCJYIRSA-N 0 3 361.511 2.467 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043359905 680577411 /nfs/dbraw/zinc/57/74/11/680577411.db2.gz YSBNOYIOKTTZDD-LYRGGWFBSA-N 0 3 361.877 2.206 20 30 FEEDHN CN(CCC(=O)Nc1sccc1C#N)C[C@H](O)c1cccc(C#N)c1 ZINC000844365538 681054203 /nfs/dbraw/zinc/05/42/03/681054203.db2.gz CEARTBXMWZRGOD-INIZCTEOSA-N 0 3 354.435 2.485 20 30 FEEDHN COc1ccc(C#N)cc1COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000772258008 681090626 /nfs/dbraw/zinc/09/06/26/681090626.db2.gz ZTKWGAXFQPUFQJ-DGCLKSJQSA-N 0 3 356.300 2.067 20 30 FEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000845442663 681128087 /nfs/dbraw/zinc/12/80/87/681128087.db2.gz OHPGMZXKQWLYTP-WCQYABFASA-N 0 3 363.211 2.303 20 30 FEEDHN CCCCCCCCCS(=O)(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000846230381 681205521 /nfs/dbraw/zinc/20/55/21/681205521.db2.gz QNDZLBUSKYHTAH-QGZVFWFLSA-N 0 3 371.551 2.454 20 30 FEEDHN CC(C)(C)OC(=O)N1CCOC2(CCN(CCOCCC#N)CC2)C1 ZINC000933462689 681416686 /nfs/dbraw/zinc/41/66/86/681416686.db2.gz CPJCQWJNHMBMHH-UHFFFAOYSA-N 0 3 353.463 2.019 20 30 FEEDHN C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H](C)N2CCCCC2)c1 ZINC000847958812 681455641 /nfs/dbraw/zinc/45/56/41/681455641.db2.gz NOFCTSIEQYHNPK-OAHLLOKOSA-N 0 3 366.483 2.182 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](OC)c1ccccc1Br ZINC000848142878 681479669 /nfs/dbraw/zinc/47/96/69/681479669.db2.gz NOWHKOBUSOKNBU-OAHLLOKOSA-N 0 3 353.260 2.208 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000848397910 681535083 /nfs/dbraw/zinc/53/50/83/681535083.db2.gz OTEZQUBWKUXCFD-AWEZNQCLSA-N 0 3 360.439 2.232 20 30 FEEDHN CC(C)(C#N)CS(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000914016427 685492095 /nfs/dbraw/zinc/49/20/95/685492095.db2.gz UFZQANCNIPWNOR-UHFFFAOYSA-N 0 3 355.529 2.429 20 30 FEEDHN Cc1cn2c(n1)CN(CC(=O)C(C#N)c1nc3ccccc3s1)CC2 ZINC000782513832 682052751 /nfs/dbraw/zinc/05/27/51/682052751.db2.gz MGCFOUYOXJUEJD-CYBMUJFWSA-N 0 3 351.435 2.493 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCCS2)cc1 ZINC000783359334 682137712 /nfs/dbraw/zinc/13/77/12/682137712.db2.gz VHDKJIPHYMIYQG-LSDHHAIUSA-N 0 3 359.451 2.321 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1Cl ZINC000916917384 685528537 /nfs/dbraw/zinc/52/85/37/685528537.db2.gz JXFJBRZIQZHWEB-SNVBAGLBSA-N 0 3 371.618 2.492 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000786181608 682357337 /nfs/dbraw/zinc/35/73/37/682357337.db2.gz IBEIHIUIJAHPRD-HOCLYGCPSA-N 0 3 351.491 2.399 20 30 FEEDHN COCCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCOC1 ZINC000786190063 682358294 /nfs/dbraw/zinc/35/82/94/682358294.db2.gz KSKSRUDUKLZEEN-UONOGXRCSA-N 0 3 359.451 2.210 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788256959 682515411 /nfs/dbraw/zinc/51/54/11/682515411.db2.gz LBYPAAYLOTYMEH-LSDHHAIUSA-N 0 3 360.520 2.403 20 30 FEEDHN N#CCCNC(=O)CN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000796600591 683175830 /nfs/dbraw/zinc/17/58/30/683175830.db2.gz OBIQUHMAQAUMDC-INIZCTEOSA-N 0 3 355.360 2.026 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cn2c(n1)COCC2 ZINC000860474348 683248837 /nfs/dbraw/zinc/24/88/37/683248837.db2.gz YZQYQLVTXNWDKK-JTQLQIEISA-N 0 3 362.748 2.167 20 30 FEEDHN CN1C(=O)CN(CC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)C1=O ZINC000860478894 683248957 /nfs/dbraw/zinc/24/89/57/683248957.db2.gz GRLSNSNGNOMPLJ-VIFPVBQESA-N 0 3 362.798 2.020 20 30 FEEDHN C#CC[C@@H](COC)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000860543809 683258599 /nfs/dbraw/zinc/25/85/99/683258599.db2.gz DGHNPQGWAUBPDN-SFHVURJKSA-N 0 3 361.511 2.438 20 30 FEEDHN C#CCN(C(=O)NCCCCC(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000921790108 683574973 /nfs/dbraw/zinc/57/49/73/683574973.db2.gz VYLYXHUUOSJUBK-UHFFFAOYSA-N 0 3 351.491 2.237 20 30 FEEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCN2C2CCOCC2)cc1Cl ZINC000922372871 683709306 /nfs/dbraw/zinc/70/93/06/683709306.db2.gz ACJHHAXTPQDFFF-MRXNPFEDSA-N 0 3 362.861 2.264 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](O)c1ccnn1C ZINC000922972697 683813988 /nfs/dbraw/zinc/81/39/88/683813988.db2.gz JNKWNAAXNMPZTL-OAHLLOKOSA-N 0 3 364.243 2.018 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000932089115 684405287 /nfs/dbraw/zinc/40/52/87/684405287.db2.gz ASUSGXQHVOBXCY-UHFFFAOYSA-N 0 3 371.335 2.269 20 30 FEEDHN N#C[C@@]1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCOC1 ZINC000867941353 684429961 /nfs/dbraw/zinc/42/99/61/684429961.db2.gz VEPSNJMIPSZILM-XUJLQICISA-N 0 3 359.392 2.228 20 30 FEEDHN CSC1([C@@H](C#N)N(C)S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000872009328 684913997 /nfs/dbraw/zinc/91/39/97/684913997.db2.gz KRKAPENEYKVZGS-OAHLLOKOSA-N 0 3 353.513 2.156 20 30 FEEDHN N#Cc1ccc([C@H](O)CN[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC000872230071 684929615 /nfs/dbraw/zinc/92/96/15/684929615.db2.gz VRAJIIUCOZBTCW-BHIYHBOVSA-N 0 3 356.447 2.186 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000876549846 686218175 /nfs/dbraw/zinc/21/81/75/686218175.db2.gz WTNYZPMLFSMOON-AWEZNQCLSA-N 0 3 373.906 2.434 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000876619680 686229866 /nfs/dbraw/zinc/22/98/66/686229866.db2.gz BNCGGJQYWRZKLH-WCQYABFASA-N 0 3 366.767 2.031 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000876657889 686238368 /nfs/dbraw/zinc/23/83/68/686238368.db2.gz VRQVUXAIGBOZKX-OCCSQVGLSA-N 0 3 356.253 2.374 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000876669208 686240142 /nfs/dbraw/zinc/24/01/42/686240142.db2.gz DQBRMYYKZQXWKL-UKRRQHHQSA-N 0 3 365.861 2.403 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000876716970 686252325 /nfs/dbraw/zinc/25/23/25/686252325.db2.gz RTUUHYGDZRPJGL-LOWVWBTDSA-N 0 3 358.895 2.161 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000876894852 686289901 /nfs/dbraw/zinc/28/99/01/686289901.db2.gz XVOQSJYQHKHPAQ-KRWDZBQOSA-N 0 3 352.862 2.468 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000876903122 686291873 /nfs/dbraw/zinc/29/18/73/686291873.db2.gz LBTOKYAVPWNTDJ-INIZCTEOSA-N 0 3 358.873 2.480 20 30 FEEDHN N#Cc1cnc(Cl)c(CNC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000876926713 686296175 /nfs/dbraw/zinc/29/61/75/686296175.db2.gz DNEZDGBCOMEOKQ-GOSISDBHSA-N 0 3 356.857 2.115 20 30 FEEDHN CN1CCN(C2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000878967317 686703284 /nfs/dbraw/zinc/70/32/84/686703284.db2.gz QXYVJIWOELKMCI-UHFFFAOYSA-N 0 3 361.877 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)CC1 ZINC000880846213 687091487 /nfs/dbraw/zinc/09/14/87/687091487.db2.gz AEEGSDOBNUSMQA-UHFFFAOYSA-N 0 3 351.472 2.170 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1sccc1Br)C2 ZINC000884112624 687792726 /nfs/dbraw/zinc/79/27/26/687792726.db2.gz ROBLIADUWBLVKS-OPASDULOSA-N 0 3 354.273 2.266 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC000884151063 687802264 /nfs/dbraw/zinc/80/22/64/687802264.db2.gz COCDRCNBSHNZIG-RGBKTGAOSA-N 0 3 368.264 2.282 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885478524 688082377 /nfs/dbraw/zinc/08/23/77/688082377.db2.gz QNZQNLWCFSLFOL-GJZGRUSLSA-N 0 3 352.475 2.380 20 30 FEEDHN C#CCN(C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1)C1CCN(C)CC1 ZINC000886572322 688278406 /nfs/dbraw/zinc/27/84/06/688278406.db2.gz IBOFOTOCZBZIDI-MRXNPFEDSA-N 0 3 354.372 2.295 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)N1CCO[C@](C)(C#N)C1)c1ccsc1 ZINC000891875937 689120931 /nfs/dbraw/zinc/12/09/31/689120931.db2.gz DDVLXCXPCCLOLI-DOTOQJQBSA-N 0 3 350.488 2.455 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCc2sccc2C1=O ZINC000892459600 689198969 /nfs/dbraw/zinc/19/89/69/689198969.db2.gz ZYUYNKRTKKLQFP-GXTWGEPZSA-N 0 3 362.451 2.135 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@@H]2COCO2)cc1OC ZINC000894868496 689611265 /nfs/dbraw/zinc/61/12/65/689611265.db2.gz GFLVCHGAPBTKMB-GFCCVEGCSA-N 0 3 358.232 2.485 20 30 FEEDHN C=CCn1cc(CN[C@@H]2CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C2)nn1 ZINC000895005775 689638974 /nfs/dbraw/zinc/63/89/74/689638974.db2.gz HSJDOFNEEDWEJX-KWCYVHTRSA-N 0 3 360.380 2.464 20 30 FEEDHN C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184383 690480940 /nfs/dbraw/zinc/48/09/40/690480940.db2.gz BIMSEXDAZSLIST-HOTGVXAUSA-N 0 3 364.877 2.418 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5c(C#N)c[nH]c5n4)C[C@H]3C2)cn1 ZINC001164773298 721148857 /nfs/dbraw/zinc/14/88/57/721148857.db2.gz YBPNVZWBYRZPEN-DOTOQJQBSA-N 0 3 361.453 2.126 20 30 FEEDHN Cc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)ccc1CC#N ZINC001164769271 721209626 /nfs/dbraw/zinc/20/96/26/721209626.db2.gz LWTLEDPGGRLTCL-RBUKOAKNSA-N 0 3 350.470 2.148 20 30 FEEDHN Cc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1CC#N ZINC001164769269 721210650 /nfs/dbraw/zinc/21/06/50/721210650.db2.gz LWTLEDPGGRLTCL-OALUTQOASA-N 0 3 350.470 2.148 20 30 FEEDHN Cc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(C#N)n1 ZINC001164903348 721538720 /nfs/dbraw/zinc/53/87/20/721538720.db2.gz CDFBZGAKXSZZTQ-WBVHZDCISA-N 0 3 353.401 2.138 20 30 FEEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000800310330 674040784 /nfs/dbraw/zinc/04/07/84/674040784.db2.gz WWTJIITUGMNTBW-XJKSGUPXSA-N 0 3 370.902 2.160 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)NC1CC1 ZINC000008251216 539481779 /nfs/dbraw/zinc/48/17/79/539481779.db2.gz YCWICRFFECHTAN-CQSZACIVSA-N 0 3 363.531 2.252 20 30 FEEDHN CCN1CCN(CCCCNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000046754013 540269424 /nfs/dbraw/zinc/26/94/24/540269424.db2.gz RMQVKIQNIFIWSL-KRWDZBQOSA-N 0 3 357.502 2.336 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000053399220 540531512 /nfs/dbraw/zinc/53/15/12/540531512.db2.gz SWYKZTOCCKZOIT-LJQANCHMSA-N 0 3 371.481 2.022 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000057126729 540770906 /nfs/dbraw/zinc/77/09/06/540770906.db2.gz NNPFOLANTRASNN-NRFANRHFSA-N 0 3 369.509 2.294 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000060844993 541122816 /nfs/dbraw/zinc/12/28/16/541122816.db2.gz DKPYFOIWBGCIBB-ZIAGYGMSSA-N 0 3 358.486 2.033 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000060844993 541122821 /nfs/dbraw/zinc/12/28/21/541122821.db2.gz DKPYFOIWBGCIBB-ZIAGYGMSSA-N 0 3 358.486 2.033 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)N3CCC(C#N)CC3)cc2)CC1 ZINC000060990233 541124296 /nfs/dbraw/zinc/12/42/96/541124296.db2.gz YSXRMPCUNZBLII-UHFFFAOYSA-N 0 3 369.513 2.269 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000065931246 541272712 /nfs/dbraw/zinc/27/27/12/541272712.db2.gz SDZHGPVSAKCWCC-UHFFFAOYSA-N 0 3 351.406 2.491 20 30 FEEDHN CCN1CCC(n2nccc2NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000066662736 541356207 /nfs/dbraw/zinc/35/62/07/541356207.db2.gz SDAQAJNCCPPDBP-UHFFFAOYSA-N 0 3 352.442 2.462 20 30 FEEDHN C[C@@H](NC(=O)C1CCCC1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068501209 541600197 /nfs/dbraw/zinc/60/01/97/541600197.db2.gz BKKMRZROLAANMP-MRXNPFEDSA-N 0 3 370.497 2.143 20 30 FEEDHN COC(=O)[C@@H]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705401 541988667 /nfs/dbraw/zinc/98/86/67/541988667.db2.gz FRRICYRZNFVATE-RBUKOAKNSA-N 0 3 371.481 2.428 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000074132529 542040933 /nfs/dbraw/zinc/04/09/33/542040933.db2.gz QNIPMONPAQGJKT-SFHVURJKSA-N 0 3 356.470 2.084 20 30 FEEDHN C[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)N1CCCCCC1 ZINC000074248614 542058401 /nfs/dbraw/zinc/05/84/01/542058401.db2.gz JTVRBEBXPRBZMT-KRWDZBQOSA-N 0 3 355.486 2.256 20 30 FEEDHN N#CCCN(Cc1ccccn1)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000074258298 542059906 /nfs/dbraw/zinc/05/99/06/542059906.db2.gz GITZLRZKBQKGBD-UHFFFAOYSA-N 0 3 366.469 2.320 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074656377 542107617 /nfs/dbraw/zinc/10/76/17/542107617.db2.gz HLJHQPGQSOTQBC-GOSISDBHSA-N 0 3 374.529 2.276 20 30 FEEDHN C[C@@H](NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)c1cccc(C#N)c1 ZINC000074917964 542135946 /nfs/dbraw/zinc/13/59/46/542135946.db2.gz GARCSCLKRQCRTP-VQIMIIECSA-N 0 3 355.486 2.041 20 30 FEEDHN CCN(CC(=O)N[C@](C)(C#N)C1CC1)CC1CCN(c2ccccn2)CC1 ZINC000076108503 542234141 /nfs/dbraw/zinc/23/41/41/542234141.db2.gz FPBXCIUTGZLCEX-OAQYLSRUSA-N 0 3 369.513 2.428 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C)c2)CC1 ZINC000076526003 542289115 /nfs/dbraw/zinc/28/91/15/542289115.db2.gz WLYQXLFXEZZVFS-UHFFFAOYSA-N 0 3 359.470 2.487 20 30 FEEDHN C=CCCCN(C)[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000076736347 542319390 /nfs/dbraw/zinc/31/93/90/542319390.db2.gz XHEYWCWPGVAPPA-GOSISDBHSA-N 0 3 359.514 2.422 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000077655504 542405788 /nfs/dbraw/zinc/40/57/88/542405788.db2.gz UHJGPYKSRIRGIZ-QGZVFWFLSA-N 0 3 357.454 2.280 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC2(CC1)OCCO2)C(C)C ZINC000079440227 542518914 /nfs/dbraw/zinc/51/89/14/542518914.db2.gz KGEKHAMXYZAVCS-QGZVFWFLSA-N 0 3 351.491 2.234 20 30 FEEDHN CC(C)N(CCOCCO)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000801993134 674158261 /nfs/dbraw/zinc/15/82/61/674158261.db2.gz MYCYCLJODQEENY-AWEZNQCLSA-N 0 3 361.467 2.192 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)NC2CCN(CC#N)CC2)CCN1Cc1ccccc1 ZINC000080122533 542567054 /nfs/dbraw/zinc/56/70/54/542567054.db2.gz NPSUCKMPMSUIGM-YLJYHZDGSA-N 0 3 369.513 2.327 20 30 FEEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](O)CN1CCOCC1 ZINC000083245807 542695862 /nfs/dbraw/zinc/69/58/62/542695862.db2.gz HUSQJBOLKLRRCQ-NRFANRHFSA-N 0 3 365.477 2.350 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)c1 ZINC000088820525 542757554 /nfs/dbraw/zinc/75/75/54/542757554.db2.gz WHKZCZKDGDHEAG-UHFFFAOYSA-N 0 3 371.437 2.373 20 30 FEEDHN CCc1ccccc1NC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089943418 542775958 /nfs/dbraw/zinc/77/59/58/542775958.db2.gz GZRXDVKHXMIEHY-CYBMUJFWSA-N 0 3 354.458 2.318 20 30 FEEDHN C[C@H]1CN(CCCCNC(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1 ZINC000090060936 542781487 /nfs/dbraw/zinc/78/14/87/542781487.db2.gz VOJIFANVEYCDNU-IRXDYDNUSA-N 0 3 359.470 2.137 20 30 FEEDHN C[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000101655186 543039648 /nfs/dbraw/zinc/03/96/48/543039648.db2.gz PYCCJDFMSPOCGW-ZACQAIPSSA-N 0 3 355.486 2.253 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1nc2nc(C)cc(C)n2n1)C(C)C ZINC000101684361 543041448 /nfs/dbraw/zinc/04/14/48/543041448.db2.gz BIMDKWNLMVKBGP-QGZVFWFLSA-N 0 3 370.501 2.098 20 30 FEEDHN CC(C)C(=O)NC[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000101911345 543048711 /nfs/dbraw/zinc/04/87/11/543048711.db2.gz NEQJESUFGWZNLM-AWEZNQCLSA-N 0 3 362.499 2.433 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000103206448 543097319 /nfs/dbraw/zinc/09/73/19/543097319.db2.gz BAWRMTPZZGQLBT-INIZCTEOSA-N 0 3 360.527 2.040 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103474861 543109385 /nfs/dbraw/zinc/10/93/85/543109385.db2.gz UBZQZDKZZIXHMY-HNNXBMFYSA-N 0 3 369.469 2.341 20 30 FEEDHN CN(CCN1CCN(C(=O)c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000104437652 543131798 /nfs/dbraw/zinc/13/17/98/543131798.db2.gz QTQYLBORGZWIDS-UHFFFAOYSA-N 0 3 362.477 2.448 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)CC1 ZINC000106036934 543186354 /nfs/dbraw/zinc/18/63/54/543186354.db2.gz JFIJUIGNBFOJJZ-UHFFFAOYSA-N 0 3 365.499 2.137 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000106262569 543221489 /nfs/dbraw/zinc/22/14/89/543221489.db2.gz VYEBCOAIEMHDBW-UHFFFAOYSA-N 0 3 358.486 2.228 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000106265287 543221514 /nfs/dbraw/zinc/22/15/14/543221514.db2.gz USHOJZQFGZNCSJ-UHFFFAOYSA-N 0 3 350.507 2.165 20 30 FEEDHN COCCN(C)CC[C@H](NC(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000107477154 543271459 /nfs/dbraw/zinc/27/14/59/543271459.db2.gz FZEYNQFAZUELEY-SFHVURJKSA-N 0 3 352.438 2.393 20 30 FEEDHN CC(C)N1CCN(c2ccc(C(=O)NC3(C#N)CCOCC3)cc2)CC1 ZINC000115465397 543569037 /nfs/dbraw/zinc/56/90/37/543569037.db2.gz HDMCNBYBXLPNGP-UHFFFAOYSA-N 0 3 356.470 2.020 20 30 FEEDHN N#CCCn1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)n1 ZINC000117715868 543638511 /nfs/dbraw/zinc/63/85/11/543638511.db2.gz WWYMJJMSVVRZJU-UHFFFAOYSA-N 0 3 366.469 2.338 20 30 FEEDHN CC(C)N(C)CCNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000118122189 543646916 /nfs/dbraw/zinc/64/69/16/543646916.db2.gz PTBFOERHMSACMT-CQSZACIVSA-N 0 3 362.499 2.476 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000118129305 543647619 /nfs/dbraw/zinc/64/76/19/543647619.db2.gz XIRXIBXUNCESFJ-KGLIPLIRSA-N 0 3 374.510 2.476 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1ccc(OCC(F)(F)F)nc1 ZINC000121481462 543695012 /nfs/dbraw/zinc/69/50/12/543695012.db2.gz ANQDWDFYTDNGMA-UHFFFAOYSA-N 0 3 368.363 2.264 20 30 FEEDHN CC(C)(O)[C@@H]1CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000119115893 543664245 /nfs/dbraw/zinc/66/42/45/543664245.db2.gz QOXJVJVBBKBQCZ-INIZCTEOSA-N 0 3 368.399 2.408 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000119289311 543665997 /nfs/dbraw/zinc/66/59/97/543665997.db2.gz UXAMDFZNEGMZDQ-PBHICJAKSA-N 0 3 356.470 2.225 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000119433232 543667848 /nfs/dbraw/zinc/66/78/48/543667848.db2.gz KYPQRDFKBOSHFW-PKOBYXMFSA-N 0 3 357.502 2.289 20 30 FEEDHN N#CC1(C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000119658735 543670682 /nfs/dbraw/zinc/67/06/82/543670682.db2.gz QACBNGSKLKBTPZ-GOSISDBHSA-N 0 3 367.497 2.136 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1c(C)noc1CC)C(C)C ZINC000124921485 543851307 /nfs/dbraw/zinc/85/13/07/543851307.db2.gz MUXDSXLUWUMXTF-HNNXBMFYSA-N 0 3 362.474 2.299 20 30 FEEDHN CCc1nnc(N2CCCC[C@@H](N3CCN(C)CC3)C2)c(C#N)c1CC ZINC000127021330 543968260 /nfs/dbraw/zinc/96/82/60/543968260.db2.gz MOAUTLOVBKBASA-MRXNPFEDSA-N 0 3 356.518 2.079 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C(C)=O)c(C)c2)CC1 ZINC000129487523 544115042 /nfs/dbraw/zinc/11/50/42/544115042.db2.gz UFAVEBKDAKSVEP-UHFFFAOYSA-N 0 3 357.454 2.293 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@H]2CCCC[C@H]2C(N)=O)cc1C ZINC000131152790 544178642 /nfs/dbraw/zinc/17/86/42/544178642.db2.gz OFJHNTGOHXRBLO-MSOLQXFVSA-N 0 3 356.470 2.184 20 30 FEEDHN C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000133453633 544270597 /nfs/dbraw/zinc/27/05/97/544270597.db2.gz UDOUVXBHJZAURJ-INIZCTEOSA-N 0 3 358.486 2.236 20 30 FEEDHN CCOC(=O)CNC(=O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000134536900 544312049 /nfs/dbraw/zinc/31/20/49/544312049.db2.gz DASPILUDNBXEEB-UHFFFAOYSA-N 0 3 371.481 2.379 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151866965 544590230 /nfs/dbraw/zinc/59/02/30/544590230.db2.gz FQVRITARQINFCX-JENIJYKNSA-N 0 3 356.422 2.479 20 30 FEEDHN CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@@H]2CCN(C3CC3)C2)CC1=O ZINC000153979897 544847434 /nfs/dbraw/zinc/84/74/34/544847434.db2.gz SLGBRUKDWIZDSR-CQSZACIVSA-N 0 3 365.481 2.130 20 30 FEEDHN N#Cc1cc(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)c[nH]1 ZINC000181382808 327727831 /nfs/dbraw/zinc/72/78/31/327727831.db2.gz VYMZWGNHXMSMHZ-UHFFFAOYSA-N 0 3 352.438 2.333 20 30 FEEDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184476895 327869203 /nfs/dbraw/zinc/86/92/03/327869203.db2.gz GEFJTLGKGXKHFN-UHFFFAOYSA-N 0 3 373.906 2.191 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)CN1CCCCCC1 ZINC000186771619 327981564 /nfs/dbraw/zinc/98/15/64/327981564.db2.gz HBILOGZDMGNZLR-CQSZACIVSA-N 0 3 351.472 2.110 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000189381284 328144407 /nfs/dbraw/zinc/14/44/07/328144407.db2.gz FZMVDSNBVRUCDF-KRWDZBQOSA-N 0 3 373.501 2.452 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)c(F)c1 ZINC000189400217 328145574 /nfs/dbraw/zinc/14/55/74/328145574.db2.gz IWCOHSFCIUIYDC-OAHLLOKOSA-N 0 3 358.417 2.113 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCC(C)CC1 ZINC000192791528 328339860 /nfs/dbraw/zinc/33/98/60/328339860.db2.gz QRGVVXUAMCVOKB-OAHLLOKOSA-N 0 3 373.501 2.290 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120735871 326283500 /nfs/dbraw/zinc/28/35/00/326283500.db2.gz ZFMNROJQYFXJIR-QRVBRYPASA-N 0 3 370.497 2.445 20 30 FEEDHN CN(C)Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000121143437 326316712 /nfs/dbraw/zinc/31/67/12/326316712.db2.gz KETLUXCPCPEQFO-UHFFFAOYSA-N 0 3 350.422 2.217 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000121707900 326359989 /nfs/dbraw/zinc/35/99/89/326359989.db2.gz UJIPVKPRZAWFKN-CXAGYDPISA-N 0 3 363.458 2.335 20 30 FEEDHN CCC[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CCN1CCOC ZINC000121918228 326375850 /nfs/dbraw/zinc/37/58/50/326375850.db2.gz LQOWLKRKKNKPNZ-SFHVURJKSA-N 0 3 358.486 2.320 20 30 FEEDHN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCC1 ZINC000122877329 326412637 /nfs/dbraw/zinc/41/26/37/326412637.db2.gz ZAJLVPFPBOCOKY-INIZCTEOSA-N 0 3 362.861 2.387 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C#N ZINC000128189227 326519476 /nfs/dbraw/zinc/51/94/76/326519476.db2.gz WDAGUZAAMJBNIH-UHFFFAOYSA-N 0 3 362.777 2.247 20 30 FEEDHN CN1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(C#N)[nH]3)cc2)CC1 ZINC000153072061 326723363 /nfs/dbraw/zinc/72/33/63/326723363.db2.gz DWEGRAUJFGCIJE-UHFFFAOYSA-N 0 3 366.425 2.354 20 30 FEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000158350495 326893056 /nfs/dbraw/zinc/89/30/56/326893056.db2.gz IKDBPARPQFFWAG-XLIONFOSSA-N 0 3 371.481 2.429 20 30 FEEDHN COc1ccc(CNCc2ccc(N3CCN(C)CC3)nc2)cc1C#N ZINC000174261076 327315916 /nfs/dbraw/zinc/31/59/16/327315916.db2.gz WTZOGMZQPCBCRV-UHFFFAOYSA-N 0 3 351.454 2.003 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174886830 327358342 /nfs/dbraw/zinc/35/83/42/327358342.db2.gz SYKMRPYZEMRAKU-IBGZPJMESA-N 0 3 372.513 2.048 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)/C=C/c3ccc(C#N)cc3)CC2)CC1 ZINC000264708458 329051466 /nfs/dbraw/zinc/05/14/66/329051466.db2.gz DJJUPDYRHBQQSM-VOTSOKGWSA-N 0 3 352.482 2.057 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)N(C)C ZINC000265509832 329134567 /nfs/dbraw/zinc/13/45/67/329134567.db2.gz IKYYADDSALRSKT-AWEZNQCLSA-N 0 3 366.421 2.355 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000268164448 329392177 /nfs/dbraw/zinc/39/21/77/329392177.db2.gz QSHOARMAOSDVIV-KRWDZBQOSA-N 0 3 351.454 2.292 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270242527 329584815 /nfs/dbraw/zinc/58/48/15/329584815.db2.gz PHBSINKBTQBOQJ-QGZVFWFLSA-N 0 3 370.497 2.399 20 30 FEEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000270493847 329605224 /nfs/dbraw/zinc/60/52/24/329605224.db2.gz UXYDPNKFRLAQEO-WMZOPIPTSA-N 0 3 364.467 2.043 20 30 FEEDHN COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000274138864 329919215 /nfs/dbraw/zinc/91/92/15/329919215.db2.gz WYKSTPROQVHJTC-KSZLIROESA-N 0 3 359.495 2.284 20 30 FEEDHN C[C@H]1[C@H](NCc2cnc3ccc(C#N)cn23)CC(=O)N1Cc1ccccc1 ZINC000367046815 330211088 /nfs/dbraw/zinc/21/10/88/330211088.db2.gz BXYKYAYJZMAPTE-HNAYVOBHSA-N 0 3 359.433 2.485 20 30 FEEDHN CC[C@](C)(NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(N)=O ZINC000411382662 330256505 /nfs/dbraw/zinc/25/65/05/330256505.db2.gz CSDMJBNVYLOCMO-ZMZPIMSZSA-N 0 3 362.499 2.317 20 30 FEEDHN CCN(CC)C(=O)CN1CCCN(CCCOc2cccc(C#N)c2)CC1 ZINC000155540701 545540161 /nfs/dbraw/zinc/54/01/61/545540161.db2.gz PSUFUIZQXXCEAQ-UHFFFAOYSA-N 0 3 372.513 2.203 20 30 FEEDHN C=CCN1CCC(NC(=O)CCCNC(=O)NC2CCCCC2)CC1 ZINC000171720481 546220602 /nfs/dbraw/zinc/22/06/02/546220602.db2.gz KHKQRAOCMICZRN-UHFFFAOYSA-N 0 3 350.507 2.165 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000171719014 546220887 /nfs/dbraw/zinc/22/08/87/546220887.db2.gz NIRNCRDWKQIIMX-LJQANCHMSA-N 0 3 369.509 2.234 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000171723164 546221529 /nfs/dbraw/zinc/22/15/29/546221529.db2.gz FTZASPHDLOSLJB-CQSZACIVSA-N 0 3 361.873 2.460 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000171722237 546221978 /nfs/dbraw/zinc/22/19/78/546221978.db2.gz OVOGKSWRTJVQKP-KRWDZBQOSA-N 0 3 373.472 2.445 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000172151073 546237930 /nfs/dbraw/zinc/23/79/30/546237930.db2.gz GZILFAOGYJGWML-LJQANCHMSA-N 0 3 370.497 2.474 20 30 FEEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479403111 561189028 /nfs/dbraw/zinc/18/90/28/561189028.db2.gz XTBHRMVMSFCKGR-ZJUUUORDSA-N 0 3 367.298 2.476 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1 ZINC000173580538 546283403 /nfs/dbraw/zinc/28/34/03/546283403.db2.gz GFPRSPPPBIACGX-SFHVURJKSA-N 0 3 370.497 2.091 20 30 FEEDHN C#CCCCNC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000174086911 546291867 /nfs/dbraw/zinc/29/18/67/546291867.db2.gz XNEDRLTXYOYTHW-LJQANCHMSA-N 0 3 369.513 2.039 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480695019 561214692 /nfs/dbraw/zinc/21/46/92/561214692.db2.gz IQTANEQSSIIOLP-UONOGXRCSA-N 0 3 353.463 2.237 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CC1 ZINC000176866690 546498613 /nfs/dbraw/zinc/49/86/13/546498613.db2.gz PFZNEJBFVIUABY-UHFFFAOYSA-N 0 3 357.788 2.323 20 30 FEEDHN COc1cc(/C=C/C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1OCC#N ZINC000177056181 546533030 /nfs/dbraw/zinc/53/30/30/546533030.db2.gz PBCHDOUFBMYINL-YIWFVGIGSA-N 0 3 355.438 2.352 20 30 FEEDHN CN(Cc1ccc(C#N)cc1Br)C1CCN(CCO)CC1 ZINC000480711989 561214882 /nfs/dbraw/zinc/21/48/82/561214882.db2.gz BFDUJFMCRABOMP-UHFFFAOYSA-N 0 3 352.276 2.209 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CCN(CCc2ccccn2)CC1 ZINC000177257384 546580377 /nfs/dbraw/zinc/58/03/77/546580377.db2.gz JFSYGMOBIDDMTE-SFHVURJKSA-N 0 3 371.529 2.028 20 30 FEEDHN N#CCCCCNC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000178242804 546763414 /nfs/dbraw/zinc/76/34/14/546763414.db2.gz DBVBFBOJYLLONS-UHFFFAOYSA-N 0 3 372.469 2.300 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000178919205 546872729 /nfs/dbraw/zinc/87/27/29/546872729.db2.gz AHMXIKBTYASJLV-WOJBJXKFSA-N 0 3 373.497 2.171 20 30 FEEDHN N#Cc1ccccc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1 ZINC000180197086 547066863 /nfs/dbraw/zinc/06/68/63/547066863.db2.gz BEFSPXJEOPJWHZ-UHFFFAOYSA-N 0 3 356.451 2.148 20 30 FEEDHN N#Cc1cc(F)ccc1CN1C(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C1=O ZINC000180742507 547170557 /nfs/dbraw/zinc/17/05/57/547170557.db2.gz LNQAQWDWTRKIPZ-KDURUIRLSA-N 0 3 363.392 2.314 20 30 FEEDHN C=CCn1c(SCCCN2CCN(C)CC2)nnc1-c1ccncc1 ZINC000181306018 547291011 /nfs/dbraw/zinc/29/10/11/547291011.db2.gz LMQHCNFHKXUJAB-UHFFFAOYSA-N 0 3 358.515 2.256 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2ccncc2)cc1 ZINC000483532202 561279069 /nfs/dbraw/zinc/27/90/69/561279069.db2.gz NLPCRTVZZOCPNC-CYBMUJFWSA-N 0 3 358.423 2.132 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(C)CCCOC2)cc1 ZINC000483561852 561279728 /nfs/dbraw/zinc/27/97/28/561279728.db2.gz MBIWJNNRHRHAGJ-LRDDRELGSA-N 0 3 351.428 2.063 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 ZINC000181886145 547398120 /nfs/dbraw/zinc/39/81/20/547398120.db2.gz CBQSCAATZXGRBY-UHFFFAOYSA-N 0 3 358.442 2.093 20 30 FEEDHN COc1ccc([C@@H](CCO)NC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000182405613 547487742 /nfs/dbraw/zinc/48/77/42/547487742.db2.gz YTHVYVWNBFIWIU-YLJYHZDGSA-N 0 3 356.422 2.020 20 30 FEEDHN COC(=O)CCn1nc(C)c(CNCCOc2ccc(C#N)cc2)c1C ZINC000182480907 547501499 /nfs/dbraw/zinc/50/14/99/547501499.db2.gz YLMRVWGMPIIPRG-UHFFFAOYSA-N 0 3 356.426 2.103 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184328819 547808178 /nfs/dbraw/zinc/80/81/78/547808178.db2.gz NABUWOTYGRSEFG-XLIONFOSSA-N 0 3 372.513 2.104 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C(=O)OCC)c2cccc(C)c2C)CC1 ZINC000184437937 547826479 /nfs/dbraw/zinc/82/64/79/547826479.db2.gz XFBBYDFNVMTNHL-LJQANCHMSA-N 0 3 356.466 2.369 20 30 FEEDHN CC(C)OC(=O)C[C@@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000184498931 547837673 /nfs/dbraw/zinc/83/76/73/547837673.db2.gz SLVIATURDDFWHL-ROUUACIJSA-N 0 3 360.454 2.352 20 30 FEEDHN C#CCCOc1ccc(CN2CCC(n3cc(C(=O)OC)nn3)CC2)cc1 ZINC000184758516 547875468 /nfs/dbraw/zinc/87/54/68/547875468.db2.gz YQRSAVAQUDAIHL-UHFFFAOYSA-N 0 3 368.437 2.304 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000185281698 547964478 /nfs/dbraw/zinc/96/44/78/547964478.db2.gz WNVNJCFBSOWCFC-UKRRQHHQSA-N 0 3 353.875 2.316 20 30 FEEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCC(=O)N(C)CCC#N ZINC000185644327 548013352 /nfs/dbraw/zinc/01/33/52/548013352.db2.gz MAVOMIYOWRPDHD-LLVKDONJSA-N 0 3 359.396 2.475 20 30 FEEDHN C=CC[C@@H](CO)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000185785775 548035907 /nfs/dbraw/zinc/03/59/07/548035907.db2.gz GBFOIELMAAWQBU-DOTOQJQBSA-N 0 3 356.388 2.494 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3CCOCC3)cn2)CC1 ZINC000190873818 548335956 /nfs/dbraw/zinc/33/59/56/548335956.db2.gz AHPYPOMODGDTPC-UHFFFAOYSA-N 0 3 359.474 2.080 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192066472 548356866 /nfs/dbraw/zinc/35/68/66/548356866.db2.gz SWXZTGPKMGYMDO-KCPJHIHWSA-N 0 3 351.834 2.160 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)CC1 ZINC000194608642 548504824 /nfs/dbraw/zinc/50/48/24/548504824.db2.gz PVGOFUYTRUIBCZ-CALCHBBNSA-N 0 3 372.513 2.466 20 30 FEEDHN N#Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246209254 549078556 /nfs/dbraw/zinc/07/85/56/549078556.db2.gz AINWWYAXWFPUDS-PKOBYXMFSA-N 0 3 359.495 2.337 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000246674131 549186869 /nfs/dbraw/zinc/18/68/69/549186869.db2.gz LLRWGLOJBZNXCF-IEBWSBKVSA-N 0 3 356.470 2.159 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000247356892 549323872 /nfs/dbraw/zinc/32/38/72/549323872.db2.gz OIABUYZZYPYFAX-SJLPKXTDSA-N 0 3 355.486 2.119 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccc(N3CCNC3=O)c2C)CC1 ZINC000489882056 561421308 /nfs/dbraw/zinc/42/13/08/561421308.db2.gz GYXWIOVKVUOFME-UHFFFAOYSA-N 0 3 357.458 2.297 20 30 FEEDHN COCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCOC1 ZINC000490064824 561425502 /nfs/dbraw/zinc/42/55/02/561425502.db2.gz VBGUJUNBBMDDJW-CYBMUJFWSA-N 0 3 363.483 2.174 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000264328577 549994318 /nfs/dbraw/zinc/99/43/18/549994318.db2.gz DDTKTTMCZHSKJL-UHFFFAOYSA-N 0 3 353.470 2.040 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000264369390 549995048 /nfs/dbraw/zinc/99/50/48/549995048.db2.gz ISENQJKIIRTVGI-MRXNPFEDSA-N 0 3 358.486 2.031 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccccc2Cn2ccnc2)CC1 ZINC000264372823 549995163 /nfs/dbraw/zinc/99/51/63/549995163.db2.gz GVSYJCYZTZKUKY-UHFFFAOYSA-N 0 3 353.470 2.381 20 30 FEEDHN COc1cc(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1C#N ZINC000491124763 561443106 /nfs/dbraw/zinc/44/31/06/561443106.db2.gz WBTMEYBHUAWJOC-RVKKMQEKSA-N 0 3 356.470 2.439 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@](C)(C(=O)OC)C2)c(OC)c1 ZINC000268333106 550051089 /nfs/dbraw/zinc/05/10/89/550051089.db2.gz JFYBZCPWKVGYAG-JXFKEZNVSA-N 0 3 363.454 2.048 20 30 FEEDHN Cc1ccsc1CNC(=O)CON=C(N)c1ccc(CN(C)C)cc1 ZINC000268575876 550089005 /nfs/dbraw/zinc/08/90/05/550089005.db2.gz LFQYYPRAHSKOPB-UHFFFAOYSA-N 0 3 360.483 2.071 20 30 FEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000269699959 550218376 /nfs/dbraw/zinc/21/83/76/550218376.db2.gz YCEJWVUBSYBOTQ-UYAOXDASSA-N 0 3 352.482 2.123 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)c3ccc(CC#N)cc3)cc2)CC1 ZINC000270244274 550255996 /nfs/dbraw/zinc/25/59/96/550255996.db2.gz LVFHBUAMCFLPAG-UHFFFAOYSA-N 0 3 362.477 2.430 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2CCC(=O)NC)CC1 ZINC000493787412 561458268 /nfs/dbraw/zinc/45/82/68/561458268.db2.gz MGUYDTLJOOPXSV-QGZVFWFLSA-N 0 3 350.507 2.117 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(CCC(N)=O)CC1)C(C)C ZINC000271104532 550340893 /nfs/dbraw/zinc/34/08/93/550340893.db2.gz ZJGIRUOZEXDARA-SFHVURJKSA-N 0 3 364.534 2.372 20 30 FEEDHN C=CCOc1ccc(CN(C)C[C@H](O)COCCOC(C)C)cc1OC ZINC000271131080 550343202 /nfs/dbraw/zinc/34/32/02/550343202.db2.gz KBVMRIXCMHYZNJ-SFHVURJKSA-N 0 3 367.486 2.494 20 30 FEEDHN C[C@H]1C[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000271604384 550389284 /nfs/dbraw/zinc/38/92/84/550389284.db2.gz UYKLMCVMJKFATH-QFBILLFUSA-N 0 3 358.486 2.447 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272479355 550451425 /nfs/dbraw/zinc/45/14/25/550451425.db2.gz GOEZTCKYOFYNNM-UHFFFAOYSA-N 0 3 361.427 2.370 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000272878403 550474898 /nfs/dbraw/zinc/47/48/98/550474898.db2.gz QDHGKCDCWXVDBF-GOEBONIOSA-N 0 3 352.456 2.496 20 30 FEEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCC2 ZINC000273738076 550509937 /nfs/dbraw/zinc/50/99/37/550509937.db2.gz LKLXJDXDVVFAFX-OAHLLOKOSA-N 0 3 350.470 2.411 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1N1CCCC1 ZINC000274147440 550524948 /nfs/dbraw/zinc/52/49/48/550524948.db2.gz XWVHLENJDBHVTD-JKSUJKDBSA-N 0 3 362.499 2.218 20 30 FEEDHN CS[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1N1CCCC1 ZINC000275102435 550570617 /nfs/dbraw/zinc/57/06/17/550570617.db2.gz QVLWLCNKXQHWGQ-MOPGFXCFSA-N 0 3 372.538 2.445 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](OCCOC)C1)C(C)C ZINC000275526302 550572481 /nfs/dbraw/zinc/57/24/81/550572481.db2.gz BEIGCDLPNBXAKL-ROUUACIJSA-N 0 3 353.507 2.132 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCc3cc[nH]c(=O)c3C2)c(OC)c1 ZINC000277000853 550620192 /nfs/dbraw/zinc/62/01/92/550620192.db2.gz WHAZZLWTPRKAJT-QGZVFWFLSA-N 0 3 370.449 2.322 20 30 FEEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000277681989 550700866 /nfs/dbraw/zinc/70/08/66/550700866.db2.gz IQTDMMFJNPDJJK-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1nc(-c2ccccc2)cs1 ZINC000277866959 550723193 /nfs/dbraw/zinc/72/31/93/550723193.db2.gz MDMCWXKGSQJCJC-GFCCVEGCSA-N 0 3 350.465 2.416 20 30 FEEDHN C=C[C@@H]1CCCCN1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000494907385 561478981 /nfs/dbraw/zinc/47/89/81/561478981.db2.gz IKCCQIKHPXKKMZ-GOSISDBHSA-N 0 3 358.486 2.228 20 30 FEEDHN CC[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278395802 550780678 /nfs/dbraw/zinc/78/06/78/550780678.db2.gz FDAQXAXCXYJCLT-ZWKOTPCHSA-N 0 3 365.499 2.087 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000279166460 550860698 /nfs/dbraw/zinc/86/06/98/550860698.db2.gz FGFHGGRDFHQAOA-IBGZPJMESA-N 0 3 353.470 2.351 20 30 FEEDHN CC(C)CC(=O)N1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279395670 550885569 /nfs/dbraw/zinc/88/55/69/550885569.db2.gz AWECLVDPBXIFRS-SFHVURJKSA-N 0 3 366.465 2.394 20 30 FEEDHN C#CCN1CCC(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)CC1 ZINC000279443870 550890974 /nfs/dbraw/zinc/89/09/74/550890974.db2.gz BKOSMFLUKCNVII-FPOVZHCZSA-N 0 3 351.494 2.475 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000279455379 550892350 /nfs/dbraw/zinc/89/23/50/550892350.db2.gz ZSMFKZNDKYYFTJ-HZPDHXFCSA-N 0 3 364.371 2.241 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000279883261 550939128 /nfs/dbraw/zinc/93/91/28/550939128.db2.gz CVJPKKWXVIHUEZ-UXHICEINSA-N 0 3 365.481 2.493 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000280033027 550954326 /nfs/dbraw/zinc/95/43/26/550954326.db2.gz LDGCAEZGUOLUOH-AOIWGVFYSA-N 0 3 355.463 2.411 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000280343399 550982938 /nfs/dbraw/zinc/98/29/38/550982938.db2.gz JZSPGOBVUQCLNV-OALUTQOASA-N 0 3 365.408 2.347 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000280412186 550991040 /nfs/dbraw/zinc/99/10/40/550991040.db2.gz OWMXPZMOJVKJSE-HXUWFJFHSA-N 0 3 374.444 2.291 20 30 FEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000280667766 551019371 /nfs/dbraw/zinc/01/93/71/551019371.db2.gz VNOXHFNKVVCVLG-FXAWDEMLSA-N 0 3 353.422 2.037 20 30 FEEDHN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281005044 551053863 /nfs/dbraw/zinc/05/38/63/551053863.db2.gz UPPNGRGTJIBCLQ-IAGOWNOFSA-N 0 3 368.437 2.366 20 30 FEEDHN CNC(=O)[C@@]1(C)CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000281263543 551078995 /nfs/dbraw/zinc/07/89/95/551078995.db2.gz VOIJGMMUVZZECU-JXFKEZNVSA-N 0 3 356.470 2.088 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2OCCN(C)C)C1=O ZINC000281358307 551088276 /nfs/dbraw/zinc/08/82/76/551088276.db2.gz LYPWWYVHUKMODH-QGZVFWFLSA-N 0 3 374.485 2.186 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000281448771 551098821 /nfs/dbraw/zinc/09/88/21/551098821.db2.gz FOVVZIRXJOLJEE-AWEZNQCLSA-N 0 3 351.328 2.156 20 30 FEEDHN CN1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C[C@@H]1C#N ZINC000282895310 551282764 /nfs/dbraw/zinc/28/27/64/551282764.db2.gz XOXNMTOBTNPTPD-OALUTQOASA-N 0 3 369.513 2.136 20 30 FEEDHN C[C@H]1CN(CC2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)C[C@H](C)O1 ZINC000283722911 551416257 /nfs/dbraw/zinc/41/62/57/551416257.db2.gz GNYSSJXQDYZIPI-KBPBESRZSA-N 0 3 373.457 2.374 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccccn1)C(C)C ZINC000284097570 551483238 /nfs/dbraw/zinc/48/32/38/551483238.db2.gz PKHFVBURNUQLDS-IEBWSBKVSA-N 0 3 372.513 2.416 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000284402169 551541707 /nfs/dbraw/zinc/54/17/07/551541707.db2.gz AYFSAMAOAOMINC-UHFFFAOYSA-N 0 3 355.891 2.127 20 30 FEEDHN CCN(CC)CCOC(=O)c1cccc(NC(=O)C2(C#N)CCOCC2)c1 ZINC000284884199 551658494 /nfs/dbraw/zinc/65/84/94/551658494.db2.gz MNPBXJJNAFNWGB-UHFFFAOYSA-N 0 3 373.453 2.444 20 30 FEEDHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCCn1cnc(C#N)n1 ZINC000285537337 551771400 /nfs/dbraw/zinc/77/14/00/551771400.db2.gz POIAZDBMBZQQOR-UHFFFAOYSA-N 0 3 369.860 2.455 20 30 FEEDHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000285550150 551773391 /nfs/dbraw/zinc/77/33/91/551773391.db2.gz DWPNOKKENVYDPD-SWLSCSKDSA-N 0 3 351.447 2.305 20 30 FEEDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000286057067 551843933 /nfs/dbraw/zinc/84/39/33/551843933.db2.gz RIWXPJDKRUTFKT-OXJNMPFZSA-N 0 3 365.481 2.254 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000286156958 551855210 /nfs/dbraw/zinc/85/52/10/551855210.db2.gz AXFFLUPONONVCH-INIZCTEOSA-N 0 3 357.498 2.236 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)Cc2ccc(F)c(F)c2)CC1 ZINC000286320588 551873863 /nfs/dbraw/zinc/87/38/63/551873863.db2.gz AASWJSNCVFMDGS-UHFFFAOYSA-N 0 3 365.424 2.080 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(CC)Cc2cccc(Cl)c2)CC1 ZINC000286487513 551891634 /nfs/dbraw/zinc/89/16/34/551891634.db2.gz JPVKVZFFQHORJO-UHFFFAOYSA-N 0 3 363.889 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000286614043 551906139 /nfs/dbraw/zinc/90/61/39/551906139.db2.gz LMCMXRNHFCGUOJ-DNVCBOLYSA-N 0 3 355.482 2.193 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000286716064 551918091 /nfs/dbraw/zinc/91/80/91/551918091.db2.gz PHXRNAOXLCCGFX-PKOBYXMFSA-N 0 3 355.482 2.356 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000289529643 552336024 /nfs/dbraw/zinc/33/60/24/552336024.db2.gz HPGSMOBTHRMMMT-INIZCTEOSA-N 0 3 368.481 2.062 20 30 FEEDHN C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000289662495 552358094 /nfs/dbraw/zinc/35/80/94/552358094.db2.gz MJCJLYASKDLDBA-KRWDZBQOSA-N 0 3 370.501 2.249 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)n(C3CCCCC3)n2)CC1 ZINC000290891793 552556808 /nfs/dbraw/zinc/55/68/08/552556808.db2.gz UXJSBIWROAHUMV-UHFFFAOYSA-N 0 3 373.501 2.402 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2noc(COCC)n2)CC1 ZINC000291001366 552574723 /nfs/dbraw/zinc/57/47/23/552574723.db2.gz LYPZMDQYGOIOEO-CYBMUJFWSA-N 0 3 351.451 2.007 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000291028029 552577729 /nfs/dbraw/zinc/57/77/29/552577729.db2.gz OKKVDFKJXTZFCW-FPOVZHCZSA-N 0 3 357.498 2.492 20 30 FEEDHN C[C@@H](c1ccccc1)[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)C(N)=O ZINC000292046157 552688142 /nfs/dbraw/zinc/68/81/42/552688142.db2.gz AVMCENFWQDFFMT-IFXJQAMLSA-N 0 3 350.422 2.134 20 30 FEEDHN COc1ccc(NC(=O)CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292239400 552707520 /nfs/dbraw/zinc/70/75/20/552707520.db2.gz QEOSRUHFEUKQBH-GOSISDBHSA-N 0 3 366.421 2.444 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2ccn(CCC)c2c1 ZINC000293255691 552804043 /nfs/dbraw/zinc/80/40/43/552804043.db2.gz DRVQWOFUWWKCFY-UHFFFAOYSA-N 0 3 354.454 2.061 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000293302338 552809428 /nfs/dbraw/zinc/80/94/28/552809428.db2.gz HPBIXHNJMGLLOQ-UHFFFAOYSA-N 0 3 369.387 2.191 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000293467696 552826703 /nfs/dbraw/zinc/82/67/03/552826703.db2.gz UQTJYZUEZIIISY-UHFFFAOYSA-N 0 3 370.497 2.077 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000294075484 552879884 /nfs/dbraw/zinc/87/98/84/552879884.db2.gz WEYFVSPLLLPCJX-MRXNPFEDSA-N 0 3 371.510 2.040 20 30 FEEDHN CC1(C)C(=O)N[C@H]1C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000294833958 552937617 /nfs/dbraw/zinc/93/76/17/552937617.db2.gz REGRNAVBIQPTIR-MSOLQXFVSA-N 0 3 364.449 2.004 20 30 FEEDHN C=CCOc1ccc(CC(=O)NCc2ccnc(OCCN(C)C)c2)cc1 ZINC000295441235 553007386 /nfs/dbraw/zinc/00/73/86/553007386.db2.gz GLJPITDGVJLALK-UHFFFAOYSA-N 0 3 369.465 2.446 20 30 FEEDHN C#Cc1ccc(CNC(=O)NCc2ccnc(OCCN(C)C)c2)cc1 ZINC000296615650 553188044 /nfs/dbraw/zinc/18/80/44/553188044.db2.gz XNCXGCXUJUABPY-UHFFFAOYSA-N 0 3 352.438 2.003 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(OCc2ccccc2OC)CC1 ZINC000296777455 553210046 /nfs/dbraw/zinc/21/00/46/553210046.db2.gz GRSVYDFPCXXXRN-UHFFFAOYSA-N 0 3 373.497 2.341 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000502850948 561627689 /nfs/dbraw/zinc/62/76/89/561627689.db2.gz BVDVNESQKZGLJX-IAGOWNOFSA-N 0 3 356.470 2.054 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000297200148 553262963 /nfs/dbraw/zinc/26/29/63/553262963.db2.gz CTIHFWHTSKYOBA-UHFFFAOYSA-N 0 3 363.889 2.288 20 30 FEEDHN COc1ccncc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000297295349 553274923 /nfs/dbraw/zinc/27/49/23/553274923.db2.gz KGDDEDQPLHRAKZ-UHFFFAOYSA-N 0 3 367.453 2.235 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](NCCC(=O)Nc1ccccc1C#N)C(N)=O ZINC000298404889 553421655 /nfs/dbraw/zinc/42/16/55/553421655.db2.gz OUYJVHBDVNLQIU-KUHUBIRLSA-N 0 3 350.422 2.134 20 30 FEEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@@H]1CCNC1=O ZINC000298419098 553423013 /nfs/dbraw/zinc/42/30/13/553423013.db2.gz FUMPNMLYFFAJSL-IUODEOHRSA-N 0 3 374.510 2.284 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(OCC(N)=O)c1)C(C)C ZINC000298477885 553429543 /nfs/dbraw/zinc/42/95/43/553429543.db2.gz FGJUXWMBWZCKLX-SFHVURJKSA-N 0 3 374.485 2.371 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1sccc1C#N)C(C)C ZINC000298707465 553461405 /nfs/dbraw/zinc/46/14/05/553461405.db2.gz VJNMXOMYQDOQDZ-OAHLLOKOSA-N 0 3 360.483 2.373 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)N1CCCC1 ZINC000555822359 674377638 /nfs/dbraw/zinc/37/76/38/674377638.db2.gz VSLNFXNUKQDPGU-LBPRGKRZSA-N 0 3 362.499 2.456 20 30 FEEDHN CN(C)CCOc1ccccc1CNC(=O)COc1ccc(C#N)cc1 ZINC000299401989 553558598 /nfs/dbraw/zinc/55/85/98/553558598.db2.gz XYCJWHYKMAITKM-UHFFFAOYSA-N 0 3 353.422 2.194 20 30 FEEDHN CC(C(=O)N[C@@H](C#N)c1ccccc1Cl)S(=O)(=O)C1CCOCC1 ZINC000505641999 561676212 /nfs/dbraw/zinc/67/62/12/561676212.db2.gz YBDHTRINBDQJFM-ABAIWWIYSA-N 0 3 370.858 2.003 20 30 FEEDHN CN1C(=O)CN(CC(=O)NC2CCN(C3CC3)CC2)[C@H]1c1ccccc1 ZINC000328704034 553809749 /nfs/dbraw/zinc/80/97/49/553809749.db2.gz OOBRWBLXYSABBE-FQEVSTJZSA-N 0 3 356.470 2.043 20 30 FEEDHN O=C(N[C@H](Cc1c[nH]cn1)C(=O)N1CCN2CCC1CC2)C1CCCCC1 ZINC000328755093 553817081 /nfs/dbraw/zinc/81/70/81/553817081.db2.gz FCFNLUVXXHPKGW-GOSISDBHSA-N 0 3 373.501 2.164 20 30 FEEDHN O=C(N[C@H](Cc1cnc[nH]1)C(=O)N1CCN2CCC1CC2)C1CCCCC1 ZINC000328755093 553817084 /nfs/dbraw/zinc/81/70/84/553817084.db2.gz FCFNLUVXXHPKGW-GOSISDBHSA-N 0 3 373.501 2.164 20 30 FEEDHN C[C@H](CNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)N(C)C1CC1 ZINC000328773469 553820224 /nfs/dbraw/zinc/82/02/24/553820224.db2.gz HLEYKAYDUMTWJK-CJNGLKHVSA-N 0 3 373.453 2.250 20 30 FEEDHN CCN1CC[C@H]2OCCN(CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)[C@H]2C1 ZINC000328796578 553823546 /nfs/dbraw/zinc/82/35/46/553823546.db2.gz UYWJMMMROBVLHG-WCXIOVBPSA-N 0 3 366.506 2.231 20 30 FEEDHN CN(C(=O)NC[C@@H]1CCCN1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000328891335 553839944 /nfs/dbraw/zinc/83/99/44/553839944.db2.gz SHSWKVZCYRFCAA-DLBZAZTESA-N 0 3 371.547 2.064 20 30 FEEDHN CCN1C[C@H](C)N(C(=O)NC2CCN(Cc3ccccn3)CC2)C[C@H]1C ZINC000328977539 553857546 /nfs/dbraw/zinc/85/75/46/553857546.db2.gz QLDXAXSMRQAYNO-SJORKVTESA-N 0 3 359.518 2.375 20 30 FEEDHN O=C(CN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)NC1CCN(C2CC2)CC1 ZINC000328986783 553859225 /nfs/dbraw/zinc/85/92/25/553859225.db2.gz RGMOGMJENDTTBJ-DNVCBOLYSA-N 0 3 374.529 2.045 20 30 FEEDHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC1CCN(C3CC3)CC1)C2=O ZINC000329004893 553862801 /nfs/dbraw/zinc/86/28/01/553862801.db2.gz YLTBKOIPMOQWMG-BFUOFWGJSA-N 0 3 362.474 2.275 20 30 FEEDHN CN1CCC(n2ccc(NC(=O)NC3(c4cccc(C#N)c4)CC3)n2)CC1 ZINC000329074896 553875442 /nfs/dbraw/zinc/87/54/42/553875442.db2.gz BPLSCEGQVQQKRE-UHFFFAOYSA-N 0 3 364.453 3.037 20 30 FEEDHN Cc1nc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c(=O)[nH]c1C ZINC000329102826 553881010 /nfs/dbraw/zinc/88/10/10/553881010.db2.gz FUJSTDUKBVNZIW-UHFFFAOYSA-N 0 3 356.426 2.392 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000329153061 553890158 /nfs/dbraw/zinc/89/01/58/553890158.db2.gz AYCKQJDFXYEBCL-HRCADAONSA-N 0 3 364.490 2.127 20 30 FEEDHN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000329156934 553891527 /nfs/dbraw/zinc/89/15/27/553891527.db2.gz WAJJASUINVUYCC-YOEHRIQHSA-N 0 3 363.506 2.199 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CCN1C ZINC000329195271 553899891 /nfs/dbraw/zinc/89/98/91/553899891.db2.gz VHIKSNBDLUOQCR-HLLBOEOZSA-N 0 3 350.507 2.249 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000329231670 553907750 /nfs/dbraw/zinc/90/77/50/553907750.db2.gz KUTBMPBNIHOLRH-DLBZAZTESA-N 0 3 350.507 2.109 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC ZINC000329244886 553909738 /nfs/dbraw/zinc/90/97/38/553909738.db2.gz UWVGXIGVTARABL-AWEZNQCLSA-N 0 3 358.442 2.301 20 30 FEEDHN Cc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)cc1F ZINC000329272237 553914695 /nfs/dbraw/zinc/91/46/95/553914695.db2.gz ADHJVLXGUYBHHI-INIZCTEOSA-N 0 3 374.460 2.043 20 30 FEEDHN O=C(CNC(=O)N1CC[C@H](N2CCCCC2)C1)N1CCCc2ccccc21 ZINC000329331596 553926532 /nfs/dbraw/zinc/92/65/32/553926532.db2.gz WFACSZNXRMHMAD-SFHVURJKSA-N 0 3 370.497 2.440 20 30 FEEDHN Cc1noc([C@H](NC(=O)N(C)C[C@@H]2CCCN(C)C2)C2CCOCC2)n1 ZINC000329535514 553963442 /nfs/dbraw/zinc/96/34/42/553963442.db2.gz ZKSSLGOSTXNDQZ-GDBMZVCRSA-N 0 3 365.478 2.033 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000329714669 553994175 /nfs/dbraw/zinc/99/41/75/553994175.db2.gz TXVINCAWBOAJQM-DTVQEZCTSA-N 0 3 365.478 2.128 20 30 FEEDHN CN(C(=O)CNC(=O)N1CCN(C2CCCC2)CC1)C1CCCCC1 ZINC000329770161 554003049 /nfs/dbraw/zinc/00/30/49/554003049.db2.gz ILUBHZARLGBOSS-UHFFFAOYSA-N 0 3 350.507 2.252 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000329775114 554003630 /nfs/dbraw/zinc/00/36/30/554003630.db2.gz MUTXMTLPVFXQFL-RCCFBDPRSA-N 0 3 364.534 2.355 20 30 FEEDHN C[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000329778966 554004239 /nfs/dbraw/zinc/00/42/39/554004239.db2.gz QPSJBFZMEIUJKI-GJZGRUSLSA-N 0 3 371.547 2.062 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)CCN1C ZINC000329792484 554006928 /nfs/dbraw/zinc/00/69/28/554006928.db2.gz AFBWWXLVIOARFX-AEFFLSMTSA-N 0 3 364.534 2.498 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)CCN1C ZINC000329803284 554008464 /nfs/dbraw/zinc/00/84/64/554008464.db2.gz LCPRATNMPWPSOJ-SJLPKXTDSA-N 0 3 364.534 2.498 20 30 FEEDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329806724 554009834 /nfs/dbraw/zinc/00/98/34/554009834.db2.gz BEIMUKFDPJRSDE-KZNAEPCWSA-N 0 3 356.470 2.473 20 30 FEEDHN CC1CCN([C@H](CNC(=O)CN2CCOCC2=O)c2ccccc2)CC1 ZINC000329844727 554017730 /nfs/dbraw/zinc/01/77/30/554017730.db2.gz LNBVPKANYJBCJR-GOSISDBHSA-N 0 3 359.470 2.275 20 30 FEEDHN CN(C)C1(CNC(=O)CN2C(=O)NC(=O)C2(C)C)Cc2ccccc2C1 ZINC000329877773 554023578 /nfs/dbraw/zinc/02/35/78/554023578.db2.gz JUBVHZBUAIEDOA-UHFFFAOYSA-N 0 3 358.442 2.213 20 30 FEEDHN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN3CCC2CC3)CC1 ZINC000329934161 554035027 /nfs/dbraw/zinc/03/50/27/554035027.db2.gz BVIKMMAEMVNBJL-UHFFFAOYSA-N 0 3 356.470 2.251 20 30 FEEDHN C[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1)C1=CCN(C)CC1 ZINC000329941440 554036362 /nfs/dbraw/zinc/03/63/62/554036362.db2.gz GQKLYXZSDVCKBM-GDIGMMSISA-N 0 3 357.454 2.192 20 30 FEEDHN CC[C@H](CNC(=O)NC[C@]1(O)CCSC1)N1CCc2ccccc2C1 ZINC000330011858 554049241 /nfs/dbraw/zinc/04/92/41/554049241.db2.gz JPCPUPIXLJSNFJ-IEBWSBKVSA-N 0 3 363.527 2.195 20 30 FEEDHN C[C@H](CNC(=O)N1CCC(O[C@H]2CCOC2)CC1)N1CCC[C@@H](C)C1 ZINC000330043310 554054059 /nfs/dbraw/zinc/05/40/59/554054059.db2.gz AEENAESOAFCXIG-NUJGCVRESA-N 0 3 353.507 2.291 20 30 FEEDHN Cc1ccn2cc(CNC(=O)C(C)S(=O)(=O)C3CCOCC3)nc2c1 ZINC000330126655 554069547 /nfs/dbraw/zinc/06/95/47/554069547.db2.gz CZIQUPTUQCPSQT-ZDUSSCGKSA-N 0 3 365.455 2.082 20 30 FEEDHN O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330161991 554076199 /nfs/dbraw/zinc/07/61/99/554076199.db2.gz UGVSEVSPYFDRGT-GOSISDBHSA-N 0 3 369.469 2.323 20 30 FEEDHN CC(C)C(=O)NC1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000330170804 554077789 /nfs/dbraw/zinc/07/77/89/554077789.db2.gz XERTWRGRTOBJJK-QGZVFWFLSA-N 0 3 356.536 2.415 20 30 FEEDHN CC(C)c1nc([C@@H]2CCCN(C(=O)N[C@@H]3CCn4ccnc4C3)C2)no1 ZINC000330243166 554091680 /nfs/dbraw/zinc/09/16/80/554091680.db2.gz CMTPQWGEDQKHIA-ZIAGYGMSSA-N 0 3 358.446 2.498 20 30 FEEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000330297889 554101808 /nfs/dbraw/zinc/10/18/08/554101808.db2.gz LERREQJLVNAPLT-IEZWGBDMSA-N 0 3 361.490 2.236 20 30 FEEDHN COC(=O)c1cc(NC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)ccc1C ZINC000330835406 554177064 /nfs/dbraw/zinc/17/70/64/554177064.db2.gz WSKDZJNHBFNZFN-LSDHHAIUSA-N 0 3 351.472 2.305 20 30 FEEDHN CNC(=O)c1cccc(NC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1C ZINC000330864763 554180177 /nfs/dbraw/zinc/18/01/77/554180177.db2.gz NMTHEBIELGTYAM-CABCVRRESA-N 0 3 350.488 2.452 20 30 FEEDHN CC(C)N(C)C(=O)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000330993930 554198304 /nfs/dbraw/zinc/19/83/04/554198304.db2.gz TUGYYQGLZVEZLU-LJQANCHMSA-N 0 3 366.465 2.346 20 30 FEEDHN CCCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000331316834 554246583 /nfs/dbraw/zinc/24/65/83/554246583.db2.gz JHYMHXCNLWOMSK-CVEARBPZSA-N 0 3 352.523 2.259 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C[C@H]1N1CCCC1 ZINC000331543538 554283085 /nfs/dbraw/zinc/28/30/85/554283085.db2.gz IFGRIUZATLCPQT-ZTFGCOKTSA-N 0 3 359.495 2.364 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000331629928 554298281 /nfs/dbraw/zinc/29/82/81/554298281.db2.gz SHCKQRXAALIPHA-BNDYYXHWSA-N 0 3 367.449 2.019 20 30 FEEDHN C=CC1CCN([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000331635229 554299126 /nfs/dbraw/zinc/29/91/26/554299126.db2.gz TUYJTROHDZVVIZ-CYBMUJFWSA-N 0 3 359.426 2.392 20 30 FEEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331743756 554320064 /nfs/dbraw/zinc/32/00/64/554320064.db2.gz YAYBORREGDTNJN-OAQYLSRUSA-N 0 3 355.482 2.437 20 30 FEEDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000509758723 561813012 /nfs/dbraw/zinc/81/30/12/561813012.db2.gz MCJUPXQVHUWFSR-AWEZNQCLSA-N 0 3 366.421 2.355 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(Cc3cccc(C#N)c3F)CC2)CC1 ZINC000332548006 554469339 /nfs/dbraw/zinc/46/93/39/554469339.db2.gz OCNUPFLMOOYFER-UHFFFAOYSA-N 0 3 372.488 2.464 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000333644886 554630272 /nfs/dbraw/zinc/63/02/72/554630272.db2.gz XXQPAZSGHSMFBU-CYBMUJFWSA-N 0 3 356.470 2.199 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)CC1 ZINC000333693146 554634141 /nfs/dbraw/zinc/63/41/41/554634141.db2.gz MSZWUUBXUQTWSN-OAQYLSRUSA-N 0 3 358.530 2.337 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000360638730 554883037 /nfs/dbraw/zinc/88/30/37/554883037.db2.gz OKCFQNVKXHNOKH-QGZVFWFLSA-N 0 3 360.845 2.485 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@]2(NC(C)=O)CCCc3ccccc32)CC1 ZINC000362375143 554967031 /nfs/dbraw/zinc/96/70/31/554967031.db2.gz AWNBMGXWRIDLGN-OAQYLSRUSA-N 0 3 355.482 2.121 20 30 FEEDHN N#CCOc1cccc(CC(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000362414913 554970819 /nfs/dbraw/zinc/97/08/19/554970819.db2.gz XXJVVAYXPZVSIN-XVAYZXCPSA-N 0 3 361.445 2.378 20 30 FEEDHN C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000511771451 561880354 /nfs/dbraw/zinc/88/03/54/561880354.db2.gz RSEFBJHOXLDBCD-KZNAEPCWSA-N 0 3 354.498 2.464 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000363336484 555080569 /nfs/dbraw/zinc/08/05/69/555080569.db2.gz FTRDEGXKJFBOPD-AWEZNQCLSA-N 0 3 373.400 2.436 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(NC(=O)C2CCC2)CC1 ZINC000363643044 555153364 /nfs/dbraw/zinc/15/33/64/555153364.db2.gz JGAVTMPIYPEFNN-UHFFFAOYSA-N 0 3 360.483 2.329 20 30 FEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000363709074 555168685 /nfs/dbraw/zinc/16/86/85/555168685.db2.gz LBLXYZHMPIKOBR-QUCCMNQESA-N 0 3 371.481 2.331 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364009143 555232692 /nfs/dbraw/zinc/23/26/92/555232692.db2.gz ZUYTYDVQSKXNAM-TWOQFEAHSA-N 0 3 357.454 2.073 20 30 FEEDHN CN1CCN(CCC2CCN(C(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000364058506 555242608 /nfs/dbraw/zinc/24/26/08/555242608.db2.gz UGNLNJIAFJVRDY-UHFFFAOYSA-N 0 3 370.497 2.079 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H]1CSC[C@H]1C ZINC000512221109 561896439 /nfs/dbraw/zinc/89/64/39/561896439.db2.gz WGZUZWQZHLTZDR-WBMJQRKESA-N 0 3 364.515 2.293 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000364161500 555260896 /nfs/dbraw/zinc/26/08/96/555260896.db2.gz MNRPXKVSJFCGBR-MJGOQNOKSA-N 0 3 359.470 2.256 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000364166188 555261793 /nfs/dbraw/zinc/26/17/93/555261793.db2.gz CGRAXLMRDCJIIC-HXUWFJFHSA-N 0 3 366.509 2.217 20 30 FEEDHN CN1CCC[C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@H]1c1cccs1 ZINC000512764184 561914589 /nfs/dbraw/zinc/91/45/89/561914589.db2.gz BVPDHRTXNSNIGB-WBVHZDCISA-N 0 3 374.510 2.009 20 30 FEEDHN CCCN1CCN(C2CCN(c3nnc(CC)c(CC)c3C#N)CC2)CC1 ZINC000366086618 555747304 /nfs/dbraw/zinc/74/73/04/555747304.db2.gz DSCSNOOFLYZVMO-UHFFFAOYSA-N 0 3 370.545 2.469 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 ZINC000366304734 555807248 /nfs/dbraw/zinc/80/72/48/555807248.db2.gz CNVWYLKCCMRVIR-NXHRZFHOSA-N 0 3 366.502 2.090 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000366341939 555815822 /nfs/dbraw/zinc/81/58/22/555815822.db2.gz MNQLLJNGJYFNPF-AZUAARDMSA-N 0 3 367.449 2.427 20 30 FEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000366469913 555853315 /nfs/dbraw/zinc/85/33/15/555853315.db2.gz UGEBBBUBJIZGIN-ZTNFWEORSA-N 0 3 353.422 2.037 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000366702568 555913048 /nfs/dbraw/zinc/91/30/48/555913048.db2.gz OMRQZNRXTPDAMU-VJANTYMQSA-N 0 3 358.486 2.355 20 30 FEEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000514245205 561965499 /nfs/dbraw/zinc/96/54/99/561965499.db2.gz TZCURTYAASACEP-AOZDQCPJSA-N 0 3 351.491 2.483 20 30 FEEDHN N#Cc1cc(NC(=O)C23CCCN2CCC3)ccc1N1CCC(O)CC1 ZINC000367975565 556186095 /nfs/dbraw/zinc/18/60/95/556186095.db2.gz YRCPXITUYLDGDF-UHFFFAOYSA-N 0 3 354.454 2.086 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1Cl ZINC000368975634 556464983 /nfs/dbraw/zinc/46/49/83/556464983.db2.gz RSUSGORMQDKHGK-JDFRZJQESA-N 0 3 360.845 2.126 20 30 FEEDHN C=CCN(CC=C)C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000369114923 556508887 /nfs/dbraw/zinc/50/88/87/556508887.db2.gz CFUPTDBQBSZOCO-UHFFFAOYSA-N 0 3 351.454 2.378 20 30 FEEDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNCc1ccc(C#N)cc1 ZINC000369288548 556566166 /nfs/dbraw/zinc/56/61/66/556566166.db2.gz RNANXXAOGZVZSJ-UHFFFAOYSA-N 0 3 352.486 2.032 20 30 FEEDHN C#CCCN1CCC(NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)CC1 ZINC000369592621 556640977 /nfs/dbraw/zinc/64/09/77/556640977.db2.gz QGBNOFCXJBFZEN-OAQYLSRUSA-N 0 3 367.493 2.126 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC3CCN(C4CC4)CC3)C2)n1 ZINC000369937449 556735561 /nfs/dbraw/zinc/73/55/61/556735561.db2.gz PZEFKOYMYIMGNT-KRWDZBQOSA-N 0 3 367.497 2.221 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)nc3)CC2)C[C@@H](C)O1 ZINC000370207012 556811020 /nfs/dbraw/zinc/81/10/20/556811020.db2.gz GEMLRPPKNCZHPX-HZPDHXFCSA-N 0 3 356.470 2.305 20 30 FEEDHN CN1CCC[C@@]2(CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1=O ZINC000370410741 556865405 /nfs/dbraw/zinc/86/54/05/556865405.db2.gz RJHJVRBKYKDWCJ-IBGZPJMESA-N 0 3 351.410 2.053 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370463091 556879551 /nfs/dbraw/zinc/87/95/51/556879551.db2.gz RKCFFQCAVVVYTJ-UYAOXDASSA-N 0 3 372.513 2.369 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000370558255 556908383 /nfs/dbraw/zinc/90/83/83/556908383.db2.gz OLJIPAFBPQTQAY-INIZCTEOSA-N 0 3 356.451 2.399 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)nc2)[C@@H]1c1cnn(C)c1 ZINC000370639074 556927196 /nfs/dbraw/zinc/92/71/96/556927196.db2.gz BXITYDLYJCFCTA-QFBILLFUSA-N 0 3 366.469 2.232 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000370831448 556983510 /nfs/dbraw/zinc/98/35/10/556983510.db2.gz VAUDSPTWYIRBFT-RDJZCZTQSA-N 0 3 364.449 2.445 20 30 FEEDHN CN1CCC[C@@H](N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C1 ZINC000370879734 557000144 /nfs/dbraw/zinc/00/01/44/557000144.db2.gz XZXUPKSGCXJAOQ-WOJBJXKFSA-N 0 3 369.513 2.453 20 30 FEEDHN N#Cc1cccc([C@@H]2CN(C(=O)NC3CCN(C4CC4)CC3)CCO2)c1 ZINC000371345598 557154534 /nfs/dbraw/zinc/15/45/34/557154534.db2.gz RJWQHTNPVUHPNA-IBGZPJMESA-N 0 3 354.454 2.268 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCCC3)C2)c1C#N ZINC000371873095 557316071 /nfs/dbraw/zinc/31/60/71/557316071.db2.gz QRMHMGWJIWHSBV-MRXNPFEDSA-N 0 3 354.454 2.282 20 30 FEEDHN C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000518397038 562110686 /nfs/dbraw/zinc/11/06/86/562110686.db2.gz DAXZENZXRXTZIW-AWEZNQCLSA-N 0 3 353.463 2.237 20 30 FEEDHN COC(=O)c1cn([C@H]2CCCN(CCCOc3ccc(C#N)cc3)C2)nn1 ZINC000372034415 557362294 /nfs/dbraw/zinc/36/22/94/557362294.db2.gz WQYYYQXGDZYZSF-INIZCTEOSA-N 0 3 369.425 2.042 20 30 FEEDHN CC(C)[C@@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)N1CCCCC1 ZINC000372119347 557384529 /nfs/dbraw/zinc/38/45/29/557384529.db2.gz ADIAXGMZKUXLLH-FQEVSTJZSA-N 0 3 369.513 2.867 20 30 FEEDHN CCN1CCC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000518835954 562119641 /nfs/dbraw/zinc/11/96/41/562119641.db2.gz UCQSTGSSFSKEQO-IRXDYDNUSA-N 0 3 373.476 2.450 20 30 FEEDHN CN(C)CCOc1cccc(NC(=O)C(=O)N2CCC(CCC#N)CC2)c1 ZINC000519540806 562134045 /nfs/dbraw/zinc/13/40/45/562134045.db2.gz RKRSKESCZVZGCT-UHFFFAOYSA-N 0 3 372.469 2.108 20 30 FEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000372728953 557548336 /nfs/dbraw/zinc/54/83/36/557548336.db2.gz JZAGAZPNEVRTEM-QUCCMNQESA-N 0 3 352.482 2.123 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000372863201 557578042 /nfs/dbraw/zinc/57/80/42/557578042.db2.gz MNYJYVXIFRXMDB-AHRSYUTCSA-N 0 3 371.481 2.137 20 30 FEEDHN N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000372989267 557604596 /nfs/dbraw/zinc/60/45/96/557604596.db2.gz JAZFTZLLNZYSBA-KRWDZBQOSA-N 0 3 370.478 2.144 20 30 FEEDHN C=CCN(C[C@@H](O)COC(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195993 562150395 /nfs/dbraw/zinc/15/03/95/562150395.db2.gz UBEDMFBUWOPHKA-CRAIPNDOSA-N 0 3 359.474 2.387 20 30 FEEDHN COc1cccc2c1OC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000373445066 557695325 /nfs/dbraw/zinc/69/53/25/557695325.db2.gz ZNGNONRHHUOJCN-ROUUACIJSA-N 0 3 361.401 2.369 20 30 FEEDHN N#Cc1ncn(C2CC[NH+](Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000373466692 557699220 /nfs/dbraw/zinc/69/92/20/557699220.db2.gz PCURIXUFUGAOLI-UHFFFAOYSA-N 0 3 362.231 2.455 20 30 FEEDHN C[C@H](CO)N1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000373734098 557747682 /nfs/dbraw/zinc/74/76/82/557747682.db2.gz PXAJJARBKWHVLG-GOSISDBHSA-N 0 3 367.497 2.352 20 30 FEEDHN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC2CC(C#N)(c3ccccc3)C2)C1 ZINC000374587575 557902838 /nfs/dbraw/zinc/90/28/38/557902838.db2.gz UCNWHQVJVAXQEQ-TYJOOELLSA-N 0 3 371.481 2.428 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCC(c4nc[nH]n4)CC3)C2=O)cc1 ZINC000374899147 557947987 /nfs/dbraw/zinc/94/79/87/557947987.db2.gz VAFNWFHHBXJSIU-KRWDZBQOSA-N 0 3 350.426 2.051 20 30 FEEDHN Cc1cc(N2CCC(NC(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)ncn1 ZINC000375669118 558064956 /nfs/dbraw/zinc/06/49/56/558064956.db2.gz NZZQJLCWNCATQK-GOSISDBHSA-N 0 3 374.448 2.124 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000375872951 558091917 /nfs/dbraw/zinc/09/19/17/558091917.db2.gz GPVQFDMEYRRGAT-GOSISDBHSA-N 0 3 372.538 2.277 20 30 FEEDHN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2CNCC3)cc1 ZINC000375957446 558105042 /nfs/dbraw/zinc/10/50/42/558105042.db2.gz LMZZGWUKQNYNIP-UHFFFAOYSA-N 0 3 371.462 2.049 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CN1C1CC1 ZINC000376220074 558143424 /nfs/dbraw/zinc/14/34/24/558143424.db2.gz HTHWBDYVSYYHTN-KBMXLJTQSA-N 0 3 356.445 2.265 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000376223995 558143996 /nfs/dbraw/zinc/14/39/96/558143996.db2.gz DKMHCZSEIRRKJD-IBGZPJMESA-N 0 3 371.529 2.243 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000376361863 558163122 /nfs/dbraw/zinc/16/31/22/558163122.db2.gz ZTBKGQHHJSEAJH-SWLSCSKDSA-N 0 3 353.875 2.459 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000376835025 558227820 /nfs/dbraw/zinc/22/78/20/558227820.db2.gz AKPZWMYUHSIFOQ-SFHVURJKSA-N 0 3 374.448 2.190 20 30 FEEDHN C=C(CNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000377006635 558250894 /nfs/dbraw/zinc/25/08/94/558250894.db2.gz SFGMHRLJPNTMJW-UYAOXDASSA-N 0 3 356.514 2.367 20 30 FEEDHN N#Cc1ccccc1OCCN1CCC(C(=O)Nc2cnccn2)CC1 ZINC000377445703 558342436 /nfs/dbraw/zinc/34/24/36/558342436.db2.gz RWWHBVOURBPXGP-UHFFFAOYSA-N 0 3 351.410 2.078 20 30 FEEDHN C#Cc1ccc(CN2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 ZINC000377710233 558403072 /nfs/dbraw/zinc/40/30/72/558403072.db2.gz WJDSVVYZTHKBLT-INIZCTEOSA-N 0 3 358.467 2.142 20 30 FEEDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)Cc1ccc(C#N)cc1 ZINC000522881044 562205351 /nfs/dbraw/zinc/20/53/51/562205351.db2.gz FVKTWBRJDZMAAK-LJQANCHMSA-N 0 3 371.481 2.367 20 30 FEEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000378166799 558494629 /nfs/dbraw/zinc/49/46/29/558494629.db2.gz FANJXHWDEUYTTR-UHFFFAOYSA-N 0 3 371.481 2.429 20 30 FEEDHN C=CCN(C(=O)[C@@H](O)c1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000378318447 558528753 /nfs/dbraw/zinc/52/87/53/558528753.db2.gz UVRUCSWRMWCVEJ-PMACEKPBSA-N 0 3 351.450 2.404 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c1 ZINC000378447077 558559301 /nfs/dbraw/zinc/55/93/01/558559301.db2.gz ACPLNFVRSGLZCY-YJBOKZPZSA-N 0 3 357.454 2.133 20 30 FEEDHN CCN1CCCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000408287611 558664252 /nfs/dbraw/zinc/66/42/52/558664252.db2.gz SNSIFEFOPMPAKO-SFHVURJKSA-N 0 3 355.486 2.032 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000524599483 562230967 /nfs/dbraw/zinc/23/09/67/562230967.db2.gz KJJPNUWDVYHCGE-WMZOPIPTSA-N 0 3 358.486 2.156 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000410810975 558813154 /nfs/dbraw/zinc/81/31/54/558813154.db2.gz NBCACRSFVPBNOK-UHFFFAOYSA-N 0 3 358.486 2.181 20 30 FEEDHN Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1OCCN(C)C ZINC000411572390 558920038 /nfs/dbraw/zinc/92/00/38/558920038.db2.gz IOWILMVUKJNPJZ-RDJZCZTQSA-N 0 3 372.469 2.073 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)c1 ZINC000411688900 558944867 /nfs/dbraw/zinc/94/48/67/558944867.db2.gz BBXNJFCECQSPNK-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN CN(C)c1noc([C@H]2CCCN(CCC(=O)Nc3ccccc3C#N)C2)n1 ZINC000411692632 558945470 /nfs/dbraw/zinc/94/54/70/558945470.db2.gz POPVKQOCZGIZOW-HNNXBMFYSA-N 0 3 368.441 2.215 20 30 FEEDHN CC(C)(CC#N)CNC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413609448 559120346 /nfs/dbraw/zinc/12/03/46/559120346.db2.gz PMMLVRPELSKZNS-UHFFFAOYSA-N 0 3 358.486 2.253 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@H](C)C#N ZINC000413759028 559129048 /nfs/dbraw/zinc/12/90/48/559129048.db2.gz HWJMSJPDDVULCP-BHIYHBOVSA-N 0 3 358.486 2.325 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000413940550 559142055 /nfs/dbraw/zinc/14/20/55/559142055.db2.gz BPOPVZKEWUPRGD-GCJKJVERSA-N 0 3 361.445 2.415 20 30 FEEDHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NCCC(C)(C)C#N)C1=O ZINC000527193835 562279624 /nfs/dbraw/zinc/27/96/24/562279624.db2.gz YJUJSMKJJCSMFF-HUUCEWRRSA-N 0 3 351.491 2.483 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000527224836 562281103 /nfs/dbraw/zinc/28/11/03/562281103.db2.gz JCWRWDURJOYYMU-KRWDZBQOSA-N 0 3 356.470 2.453 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1=O ZINC000415969952 559285916 /nfs/dbraw/zinc/28/59/16/559285916.db2.gz KTIPASHNFUFKCC-CQSZACIVSA-N 0 3 370.375 2.415 20 30 FEEDHN CCN(CCNS(=O)(=O)c1cc(Br)ccc1C#N)C(C)C ZINC000416476688 559316029 /nfs/dbraw/zinc/31/60/29/559316029.db2.gz YWLOYJLDXOVZOD-UHFFFAOYSA-N 0 3 374.304 2.329 20 30 FEEDHN C[C@@H]1NCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H]1C ZINC000417580675 559367538 /nfs/dbraw/zinc/36/75/38/559367538.db2.gz RKCCMHJOYSJFSN-DZKIICNBSA-N 0 3 359.449 2.058 20 30 FEEDHN N#C[C@@H]1CN(C(=O)NC[C@@H](N)c2ccccc2)CCN1Cc1ccccc1 ZINC000418456545 559402327 /nfs/dbraw/zinc/40/23/27/559402327.db2.gz TVKXRVFIWRKAJC-WOJBJXKFSA-N 0 3 363.465 2.106 20 30 FEEDHN C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H](C)[C@H]1C ZINC000419382941 559440253 /nfs/dbraw/zinc/44/02/53/559440253.db2.gz ZMSXDGOEJRPPET-LTIDMASMSA-N 0 3 360.527 2.433 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)NCC3(C#N)CCC3)cc2)CC1 ZINC000419407953 559440999 /nfs/dbraw/zinc/44/09/99/559440999.db2.gz LARCYCMCEHHQGX-UHFFFAOYSA-N 0 3 369.513 2.317 20 30 FEEDHN C=C(C)[C@@H](NC(=O)C(=O)N[C@H](CN)CC(C)C)c1ccc(F)c(F)c1 ZINC000419678999 559453514 /nfs/dbraw/zinc/45/35/14/559453514.db2.gz OXCPNLSJNAOJQP-XJKSGUPXSA-N 0 3 353.413 2.188 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000421508533 559544054 /nfs/dbraw/zinc/54/40/54/559544054.db2.gz FIOCWNZBMZSYDQ-MJGOQNOKSA-N 0 3 357.498 2.138 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000422520718 559592546 /nfs/dbraw/zinc/59/25/46/559592546.db2.gz CFUDUZUABCQCOR-WOJBJXKFSA-N 0 3 369.509 2.377 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000422528017 559593052 /nfs/dbraw/zinc/59/30/52/559593052.db2.gz MWBYFGWTNHVAQO-LJQANCHMSA-N 0 3 369.509 2.377 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000422533402 559593386 /nfs/dbraw/zinc/59/33/86/559593386.db2.gz XCIKRXXOLZZZRS-OALUTQOASA-N 0 3 357.498 2.090 20 30 FEEDHN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H](N)CCCC#N ZINC000424084386 559654398 /nfs/dbraw/zinc/65/43/98/559654398.db2.gz YFKPYYLJHBMXKF-GFCCVEGCSA-N 0 3 370.375 2.302 20 30 FEEDHN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424096733 559654751 /nfs/dbraw/zinc/65/47/51/559654751.db2.gz YMSUFSZYSNWPAH-LBPRGKRZSA-N 0 3 356.348 2.247 20 30 FEEDHN COc1ccc(Cn2ncc(C)c2NC(=O)[C@H](N)CCCC#N)cc1OC ZINC000424101856 559654814 /nfs/dbraw/zinc/65/48/14/559654814.db2.gz KNKNWQOUYXLUIZ-OAHLLOKOSA-N 0 3 371.441 2.217 20 30 FEEDHN COc1cc(N[C@@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)cc(OC)c1 ZINC000424165110 559656520 /nfs/dbraw/zinc/65/65/20/559656520.db2.gz DJQVGUYJOWANPO-RDTXWAMCSA-N 0 3 360.458 2.128 20 30 FEEDHN CCN1CC[C@H](NC(=O)[C@@H](N)CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424178535 559656886 /nfs/dbraw/zinc/65/68/86/559656886.db2.gz WVXWKXIGWKOIHE-YQQAZPJKSA-N 0 3 368.403 2.377 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)nn1 ZINC000425469987 559703896 /nfs/dbraw/zinc/70/38/96/559703896.db2.gz FGMUZBQUSDKQHH-AEFFLSMTSA-N 0 3 368.485 2.316 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)nn1 ZINC000425567402 559710117 /nfs/dbraw/zinc/71/01/17/559710117.db2.gz SJSXUDJXARFZRW-YOEHRIQHSA-N 0 3 374.514 2.408 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](n2ccnn2)C1)C(C)C ZINC000425659882 559713510 /nfs/dbraw/zinc/71/35/10/559713510.db2.gz WQPSJCICSQWQJB-QZTJIDSGSA-N 0 3 360.506 2.323 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425816666 559721076 /nfs/dbraw/zinc/72/10/76/559721076.db2.gz GHGOONSVFZBBHM-MAUKXSAKSA-N 0 3 357.454 2.133 20 30 FEEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430738281 559827323 /nfs/dbraw/zinc/82/73/23/559827323.db2.gz AMYZKEKRBKQFKJ-OAHLLOKOSA-N 0 3 363.483 2.052 20 30 FEEDHN CC(C)(CNC(=O)CN[C@@H](CCCC#N)c1ccccc1)N1CCOCC1 ZINC000433011240 559869885 /nfs/dbraw/zinc/86/98/85/559869885.db2.gz NLVBTTHQQXAFLR-IBGZPJMESA-N 0 3 372.513 2.238 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@](COC)(C(=O)OCC)C1 ZINC000439479462 559995022 /nfs/dbraw/zinc/99/50/22/559995022.db2.gz SKDZLXDUEBXRPX-APWZRJJASA-N 0 3 354.491 2.091 20 30 FEEDHN CCCN1CCC(N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000440072496 560004169 /nfs/dbraw/zinc/00/41/69/560004169.db2.gz LWEGVZPKGHMTDV-UHFFFAOYSA-N 0 3 353.463 2.333 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2CCC2)nc1 ZINC000448816628 560200966 /nfs/dbraw/zinc/20/09/66/560200966.db2.gz RPXFIIGJFBZGIU-UHFFFAOYSA-N 0 3 363.465 2.367 20 30 FEEDHN C[C@H]1CCN(C)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448982118 560210282 /nfs/dbraw/zinc/21/02/82/560210282.db2.gz WIUVMTRLOOCMMK-ZFWWWQNUSA-N 0 3 374.872 2.117 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)CCN1C ZINC000449938645 560245795 /nfs/dbraw/zinc/24/57/95/560245795.db2.gz GLZJPYAZUYYHLT-NWDGAFQWSA-N 0 3 366.259 2.298 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1N(C)C ZINC000450265958 560256360 /nfs/dbraw/zinc/25/63/60/560256360.db2.gz MMMHQYKBIALQJD-CHWSQXEVSA-N 0 3 368.300 2.438 20 30 FEEDHN C[C@@H]1[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCN1C ZINC000450559070 560266230 /nfs/dbraw/zinc/26/62/30/560266230.db2.gz XJUKLYHBRHYKMI-SUYBPPKGSA-N 0 3 374.872 2.163 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H]1CCOC1(C)C ZINC000451236316 560294968 /nfs/dbraw/zinc/29/49/68/560294968.db2.gz NYYRLRMXGIVCRE-INIZCTEOSA-N 0 3 362.474 2.109 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000451670325 560321062 /nfs/dbraw/zinc/32/10/62/560321062.db2.gz CQDOHEPMZMRKTK-SJORKVTESA-N 0 3 362.470 2.376 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)N(C)Cc1ccccc1 ZINC000453672245 560395454 /nfs/dbraw/zinc/39/54/54/560395454.db2.gz LKOKGCJELHEKQG-MRXNPFEDSA-N 0 3 364.449 2.328 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)c1 ZINC000453675067 560395738 /nfs/dbraw/zinc/39/57/38/560395738.db2.gz RLWACYWVLLPMMU-SFHVURJKSA-N 0 3 356.470 2.432 20 30 FEEDHN C=CCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000453690326 560396997 /nfs/dbraw/zinc/39/69/97/560396997.db2.gz IEAMNKMUHURYLF-UHFFFAOYSA-N 0 3 365.861 2.396 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000454455455 560445170 /nfs/dbraw/zinc/44/51/70/560445170.db2.gz CDGNPVIEHQFREC-KRWDZBQOSA-N 0 3 372.513 2.074 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000454535964 560448657 /nfs/dbraw/zinc/44/86/57/560448657.db2.gz FZQONSYYJBJXIE-HZPDHXFCSA-N 0 3 370.497 2.302 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000454825404 560459747 /nfs/dbraw/zinc/45/97/47/560459747.db2.gz JPFLDRJRLCVSRK-KRWDZBQOSA-N 0 3 366.469 2.783 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CCN(C)CCOC)c1ccccc1 ZINC000455393650 560480579 /nfs/dbraw/zinc/48/05/79/560480579.db2.gz CNGAWUUWZCFCRJ-QRVBRYPASA-N 0 3 361.486 2.339 20 30 FEEDHN N#CCc1ccc(NC(=O)NC[C@@H]2CCCN2CCCO)c(Cl)c1 ZINC000455734873 560493296 /nfs/dbraw/zinc/49/32/96/560493296.db2.gz PXVUQCFOTIDKEQ-AWEZNQCLSA-N 0 3 350.850 2.374 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCC(C)(C)CC#N ZINC000459231135 560675252 /nfs/dbraw/zinc/67/52/52/560675252.db2.gz GRQPGPDGYCSTGM-FQEVSTJZSA-N 0 3 358.486 2.205 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000459865635 560714672 /nfs/dbraw/zinc/71/46/72/560714672.db2.gz JKKZONKWBPMFBX-LJQANCHMSA-N 0 3 361.511 2.207 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000459865633 560714733 /nfs/dbraw/zinc/71/47/33/560714733.db2.gz JKKZONKWBPMFBX-IBGZPJMESA-N 0 3 361.511 2.207 20 30 FEEDHN N#C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000461785883 560783477 /nfs/dbraw/zinc/78/34/77/560783477.db2.gz DDIXIBAOQDZHOI-AEFFLSMTSA-N 0 3 354.454 2.419 20 30 FEEDHN C[C@H](C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000462270480 560803859 /nfs/dbraw/zinc/80/38/59/560803859.db2.gz OCTCGEAOJXKMKQ-ZWOKBUDYSA-N 0 3 354.498 2.146 20 30 FEEDHN N#CC(C(=O)c1ccc(OCC(N)=O)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464472610 560842737 /nfs/dbraw/zinc/84/27/37/560842737.db2.gz DYEKBOTWFPDBCB-ZDUSSCGKSA-N 0 3 363.295 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3ncc(CC)s3)CC2)CC1 ZINC000465858238 560874278 /nfs/dbraw/zinc/87/42/78/560874278.db2.gz UMFSVALVGVELCU-UHFFFAOYSA-N 0 3 363.531 2.188 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCN1C ZINC000466040750 560878834 /nfs/dbraw/zinc/87/88/34/560878834.db2.gz VFURQYKZUALQMQ-GOEBONIOSA-N 0 3 359.449 2.012 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000466761542 560894889 /nfs/dbraw/zinc/89/48/89/560894889.db2.gz DFTFNROLNIUTIJ-KSSFIOAISA-N 0 3 371.460 2.012 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C(=O)OC)[C@H]1C)C(C)C ZINC000468434046 560929842 /nfs/dbraw/zinc/92/98/42/560929842.db2.gz CHOAOTDYPYMELI-BRWVUGGUSA-N 0 3 351.491 2.278 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](C(=O)OC)[C@H]2C)c(OC)c1 ZINC000470003325 560971532 /nfs/dbraw/zinc/97/15/32/560971532.db2.gz QDWLDBROGJTMDG-OIISXLGYSA-N 0 3 363.454 2.047 20 30 FEEDHN COC(=O)c1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)oc1C ZINC000470796049 560989764 /nfs/dbraw/zinc/98/97/64/560989764.db2.gz ZSKRDVMEDMDIBA-HNNXBMFYSA-N 0 3 351.362 2.245 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C(C)C ZINC000472068771 561017167 /nfs/dbraw/zinc/01/71/67/561017167.db2.gz QQOAHEXXHFGEKU-ROUUACIJSA-N 0 3 364.534 2.384 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472256173 561022081 /nfs/dbraw/zinc/02/20/81/561022081.db2.gz FUQORAXHRBLOTI-IBGZPJMESA-N 0 3 368.481 2.246 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000475666206 561101767 /nfs/dbraw/zinc/10/17/67/561101767.db2.gz HIHFIQDYXZOBST-IBGZPJMESA-N 0 3 370.497 2.087 20 30 FEEDHN CC1CCC(N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000528385134 562326145 /nfs/dbraw/zinc/32/61/45/562326145.db2.gz WMTWLKFARONCLD-UUKMXZOPSA-N 0 3 357.498 2.494 20 30 FEEDHN N#CC1(C[C@@H](O)CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CC1 ZINC000528475478 562331162 /nfs/dbraw/zinc/33/11/62/562331162.db2.gz PCIDNCFZXDWOQP-JXXFODFXSA-N 0 3 356.470 2.430 20 30 FEEDHN CC1(C)[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@H]2CCCO[C@H]21 ZINC000528518954 562333702 /nfs/dbraw/zinc/33/37/02/562333702.db2.gz KVSWGDSDUREWSR-KZNAEPCWSA-N 0 3 352.434 2.079 20 30 FEEDHN CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000529426957 562373473 /nfs/dbraw/zinc/37/34/73/562373473.db2.gz JFROEWFZZPBIFL-KZNAEPCWSA-N 0 3 359.470 2.031 20 30 FEEDHN CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000529426957 562373474 /nfs/dbraw/zinc/37/34/74/562373474.db2.gz JFROEWFZZPBIFL-KZNAEPCWSA-N 0 3 359.470 2.031 20 30 FEEDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336863 562407477 /nfs/dbraw/zinc/40/74/77/562407477.db2.gz FLZVQQGVNSNPBZ-UGSOOPFHSA-N 0 3 355.438 2.449 20 30 FEEDHN N#Cc1csc(CNCCN2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000531356352 562443097 /nfs/dbraw/zinc/44/30/97/562443097.db2.gz SYADRILIHKQXAD-UHFFFAOYSA-N 0 3 360.527 2.434 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1N(C)C ZINC000534952000 562546051 /nfs/dbraw/zinc/54/60/51/562546051.db2.gz QTVDMQLQPDPMQK-RYQLBKOJSA-N 0 3 360.527 2.299 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)c2cc(C#N)cc(N(C)C)c2)c1 ZINC000550216601 562644600 /nfs/dbraw/zinc/64/46/00/562644600.db2.gz ATOBYUYFBSGUGB-UHFFFAOYSA-N 0 3 366.465 2.495 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000602113376 567930456 /nfs/dbraw/zinc/93/04/56/567930456.db2.gz NOEMKWWNUXOCEY-OKZBNKHCSA-N 0 3 360.479 2.327 20 30 FEEDHN N#CC1CCC([NH2+]CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000602654633 568005876 /nfs/dbraw/zinc/00/58/76/568005876.db2.gz IILVXMUPNYRUFC-UHFFFAOYSA-N 0 3 359.854 2.429 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2cccc(OCCN(C)C)c2)C[C@@H](C)N1CC#N ZINC000602794895 568034973 /nfs/dbraw/zinc/03/49/73/568034973.db2.gz DZUPJVOLYPTYCY-HZPDHXFCSA-N 0 3 359.474 2.077 20 30 FEEDHN CC(C)n1ncc2c1C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000568502213 568039214 /nfs/dbraw/zinc/03/92/14/568039214.db2.gz HWSBYPBAEURBGD-QGZVFWFLSA-N 0 3 372.494 2.256 20 30 FEEDHN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000603083932 568058967 /nfs/dbraw/zinc/05/89/67/568058967.db2.gz PMVFGXUWCQAMQS-HXUWFJFHSA-N 0 3 372.469 2.382 20 30 FEEDHN CN1CCC(n2cc(NC(=O)N(CCC#N)Cc3ccccn3)cn2)CC1 ZINC000603084860 568059087 /nfs/dbraw/zinc/05/90/87/568059087.db2.gz WRDBVPMLMLESOZ-UHFFFAOYSA-N 0 3 367.457 2.493 20 30 FEEDHN Cc1ccccc1O[C@@H](C)CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000568621223 568099816 /nfs/dbraw/zinc/09/98/16/568099816.db2.gz UMKGCUDMMZTAKO-HNNXBMFYSA-N 0 3 359.451 2.093 20 30 FEEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000603842981 568155311 /nfs/dbraw/zinc/15/53/11/568155311.db2.gz VWYHPYQKLQWPHT-MSOLQXFVSA-N 0 3 352.438 2.162 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CC23CCSCC3)cc1 ZINC000569803978 568425808 /nfs/dbraw/zinc/42/58/08/568425808.db2.gz HHIDEAOADQVTEL-HNNXBMFYSA-N 0 3 350.509 2.455 20 30 FEEDHN CN1CC[C@@H](NCc2cnc3c(C#N)cnn3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569811150 568426679 /nfs/dbraw/zinc/42/66/79/568426679.db2.gz NHQCHIMCTMYYQI-MSOLQXFVSA-N 0 3 368.391 2.414 20 30 FEEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000570089693 568458340 /nfs/dbraw/zinc/45/83/40/568458340.db2.gz UWTBGPXHOGDRJE-UHFFFAOYSA-N 0 3 371.485 2.251 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000807790766 674429570 /nfs/dbraw/zinc/42/95/70/674429570.db2.gz FMXQQIRLVGZMBX-MRXNPFEDSA-N 0 3 354.372 2.200 20 30 FEEDHN COC(=O)c1ccc(CNC[C@H](O)COc2ccc(CC#N)cc2)s1 ZINC000564565697 675038011 /nfs/dbraw/zinc/03/80/11/675038011.db2.gz VEJNBYTZTSPSMQ-AWEZNQCLSA-N 0 3 360.435 2.130 20 30 FEEDHN C#CCCOc1ccc(CNCCNS(=O)(=O)c2ccccc2)cc1 ZINC000113329613 670883675 /nfs/dbraw/zinc/88/36/75/670883675.db2.gz RDXPYEVGDCEGDN-UHFFFAOYSA-N 0 3 358.463 2.157 20 30 FEEDHN COc1ccc(Cl)cc1CN1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000573959262 671185876 /nfs/dbraw/zinc/18/58/76/671185876.db2.gz SQQYQWFFGIGMTE-INIZCTEOSA-N 0 3 364.877 2.014 20 30 FEEDHN N#Cc1csc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)n1 ZINC000574127420 671205068 /nfs/dbraw/zinc/20/50/68/671205068.db2.gz DAQFBNMIKIRPTC-UHFFFAOYSA-N 0 3 355.467 2.452 20 30 FEEDHN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000579907634 671769062 /nfs/dbraw/zinc/76/90/62/671769062.db2.gz YPWBXDNQVWPMIF-CQSZACIVSA-N 0 3 365.474 2.333 20 30 FEEDHN N#CC(C(=O)COc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000124445601 671997720 /nfs/dbraw/zinc/99/77/20/671997720.db2.gz JYSFSPCATUQPBQ-ZDUSSCGKSA-N 0 3 351.200 2.159 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000582961737 672050082 /nfs/dbraw/zinc/05/00/82/672050082.db2.gz BDZGPTPWPMBBSA-JSGCOSHPSA-N 0 3 365.275 2.165 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000172542740 672342815 /nfs/dbraw/zinc/34/28/15/672342815.db2.gz YTMPGJLSXJMHEY-HOTGVXAUSA-N 0 3 351.491 2.446 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CC1 ZINC000182518997 672446664 /nfs/dbraw/zinc/44/66/64/672446664.db2.gz IKKOXMOKVWKWQZ-MRXNPFEDSA-N 0 3 351.491 2.212 20 30 FEEDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)C1 ZINC000590165488 672562994 /nfs/dbraw/zinc/56/29/94/672562994.db2.gz ZVAWAFPRRVOQOR-INIZCTEOSA-N 0 3 353.875 2.318 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CNCCNS(=O)(=O)c2ccccc2)cc1 ZINC000237697400 672811752 /nfs/dbraw/zinc/81/17/52/672811752.db2.gz DJNQHGQSKKTLGH-HNNXBMFYSA-N 0 3 359.451 2.046 20 30 FEEDHN CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCCN(C)C1 ZINC000593070464 672871623 /nfs/dbraw/zinc/87/16/23/672871623.db2.gz QJFKEVMYCYPFJZ-HNNXBMFYSA-N 0 3 350.260 2.416 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NCCOc1ccc(Br)cc1 ZINC000594432084 673071389 /nfs/dbraw/zinc/07/13/89/673071389.db2.gz XITCDDDHPJXRES-AWEZNQCLSA-N 0 3 354.248 2.355 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@H](c2ccsc2)N(CC)CC)C1=O ZINC000348494427 673116177 /nfs/dbraw/zinc/11/61/77/673116177.db2.gz DKWACMQLPQYRLE-LSDHHAIUSA-N 0 3 351.472 2.254 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@]2(C)C(=O)OCC)CC1 ZINC000595496044 673257965 /nfs/dbraw/zinc/25/79/65/673257965.db2.gz YENLPALDJSKJSC-VQIMIIECSA-N 0 3 351.491 2.448 20 30 FEEDHN COC(=O)c1cnc([C@H]2CCCN(C(=O)[C@H](N)CCCCC#N)C2)s1 ZINC000595998049 673346920 /nfs/dbraw/zinc/34/69/20/673346920.db2.gz WPZIULBVQSMXNI-QWHCGFSZSA-N 0 3 364.471 2.047 20 30 FEEDHN CCOc1cc(C=NNC(=S)NCCC[NH+](C)C)cc(Cl)c1[O-] ZINC000731930808 673348607 /nfs/dbraw/zinc/34/86/07/673348607.db2.gz NBAUZEZPMFRVRK-UHFFFAOYSA-N 0 3 358.895 2.194 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)COC[C@H]2CCCO2)cc1Cl ZINC000733679421 673431161 /nfs/dbraw/zinc/43/11/61/673431161.db2.gz HEMGUCJXGKNIBN-CHWSQXEVSA-N 0 3 366.801 2.192 20 30 FEEDHN CCN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCN(C)C1 ZINC000597944656 673522091 /nfs/dbraw/zinc/52/20/91/673522091.db2.gz DHJGUZIPANCJJU-HNNXBMFYSA-N 0 3 350.260 2.416 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000598829349 673615135 /nfs/dbraw/zinc/61/51/35/673615135.db2.gz YZGMNXKFLZFXQR-RYUDHWBXSA-N 0 3 358.316 2.489 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000600065277 673738238 /nfs/dbraw/zinc/73/82/38/673738238.db2.gz YZLPOGGCUAIISZ-AWEZNQCLSA-N 0 3 360.845 2.283 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(F)c(I)c1 ZINC000818615761 675228926 /nfs/dbraw/zinc/22/89/26/675228926.db2.gz VMPLJGBTLKJCMR-UHFFFAOYSA-N 0 3 374.197 2.115 20 30 FEEDHN C#CCSCCNCCS(=O)(=O)c1cccc(Br)c1 ZINC000819093575 675259985 /nfs/dbraw/zinc/25/99/85/675259985.db2.gz SQFKAHRCLMFNQU-UHFFFAOYSA-N 0 3 362.314 2.179 20 30 FEEDHN C#C[C@@H](NC(=O)N(C)CCCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000820565064 675370771 /nfs/dbraw/zinc/37/07/71/675370771.db2.gz JOYPUIYGRFHKDV-GOSISDBHSA-N 0 3 362.905 2.293 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619758741 676393672 /nfs/dbraw/zinc/39/36/72/676393672.db2.gz DNHGMDZMWIVMPF-OAHLLOKOSA-N 0 3 350.850 2.122 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1cccc(Br)c1 ZINC000838621799 680706583 /nfs/dbraw/zinc/70/65/83/680706583.db2.gz CJOOGMAJZOVPIA-UHFFFAOYSA-N 0 3 352.276 2.246 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656360473 677749284 /nfs/dbraw/zinc/74/92/84/677749284.db2.gz UAIINQKRRIANLM-IAGOWNOFSA-N 0 3 361.511 2.396 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)c2ccc(F)cc2F)CC1 ZINC000660596649 678362252 /nfs/dbraw/zinc/36/22/52/678362252.db2.gz HTKVGIDXCAWTOJ-KRWDZBQOSA-N 0 3 353.413 2.338 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2nccc(C(F)(F)F)n2)CC1 ZINC000665713072 678978576 /nfs/dbraw/zinc/97/85/76/678978576.db2.gz NTYBYJYLROHCKB-UHFFFAOYSA-N 0 3 357.380 2.335 20 30 FEEDHN C=C[C@@](C)(O)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000668911194 679208120 /nfs/dbraw/zinc/20/81/20/679208120.db2.gz PUBSSMDHFXNKDW-GOSISDBHSA-N 0 3 352.862 2.236 20 30 FEEDHN CC(C)(CCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000835341433 680321300 /nfs/dbraw/zinc/32/13/00/680321300.db2.gz UQQOCHWLJGWJLS-LLVKDONJSA-N 0 3 353.325 2.125 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NCC(=C)Br)CC1 ZINC000996602121 680336535 /nfs/dbraw/zinc/33/65/35/680336535.db2.gz XRZBKGDPZLISOU-CABCVRRESA-N 0 3 357.292 2.457 20 30 FEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC000998926446 680391272 /nfs/dbraw/zinc/39/12/72/680391272.db2.gz UHGAHTPXIOMCCQ-BACDZXNISA-N 0 3 367.921 2.499 20 30 FEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000999109136 680395608 /nfs/dbraw/zinc/39/56/08/680395608.db2.gz PEFLFSKWYGMAAQ-MNSOJDNVSA-N 0 3 357.292 2.433 20 30 FEEDHN C[C@]1(C(N)=O)CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000755254147 680406859 /nfs/dbraw/zinc/40/68/59/680406859.db2.gz TXLFNTGHOHUROF-KZULUSFZSA-N 0 3 356.451 2.202 20 30 FEEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001039159038 680462408 /nfs/dbraw/zinc/46/24/08/680462408.db2.gz BHYYMKQBGFNHOI-IKGGRYGDSA-N 0 3 367.921 2.201 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000836488774 680476062 /nfs/dbraw/zinc/47/60/62/680476062.db2.gz NKGBHRZUJXXPSK-INIZCTEOSA-N 0 3 351.491 2.095 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(N(C)C)c(Br)cn2)CC1 ZINC000837018224 680542896 /nfs/dbraw/zinc/54/28/96/680542896.db2.gz RIGUYIVVEXBOPI-UHFFFAOYSA-N 0 3 365.275 2.194 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1scnc1C)CC2 ZINC001050670243 681053253 /nfs/dbraw/zinc/05/32/53/681053253.db2.gz FSQQRPANFQHEJK-CVEARBPZSA-N 0 3 361.511 2.467 20 30 FEEDHN C=CCN1CCC(NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC000845450242 681128874 /nfs/dbraw/zinc/12/88/74/681128874.db2.gz WSGFCRRMWUAROZ-UHFFFAOYSA-N 0 3 361.433 2.303 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)CC1 ZINC000932140830 681183237 /nfs/dbraw/zinc/18/32/37/681183237.db2.gz JZNUSEOHTPKRIH-ZDUSSCGKSA-N 0 3 361.433 2.302 20 30 FEEDHN CCOC(=O)[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000932644144 681275410 /nfs/dbraw/zinc/27/54/10/681275410.db2.gz MNOWXWIPQBAXKE-LBPRGKRZSA-N 0 3 361.467 2.322 20 30 FEEDHN C#C[C@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCCO1 ZINC000775795952 681335787 /nfs/dbraw/zinc/33/57/87/681335787.db2.gz QMDLIZWEPYKPFU-KBPBESRZSA-N 0 3 356.495 2.465 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)NC(C)C)c1ccccc1Br ZINC000847624409 681407377 /nfs/dbraw/zinc/40/73/77/681407377.db2.gz PUODLWWTDUKCMI-FZMZJTMJSA-N 0 3 353.216 2.370 20 30 FEEDHN CN1CCN(c2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2Cl)CC1 ZINC000848414877 681536581 /nfs/dbraw/zinc/53/65/81/681536581.db2.gz FOMNURDBAAHHAZ-INIZCTEOSA-N 0 3 363.893 2.442 20 30 FEEDHN CC[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)N(C)C(=O)OC(C)(C)C ZINC000850768789 681958204 /nfs/dbraw/zinc/95/82/04/681958204.db2.gz XTJIBRANZSUXBZ-ZIAGYGMSSA-N 0 3 351.447 2.400 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F)C1CCCC1 ZINC000850977568 681992390 /nfs/dbraw/zinc/99/23/90/681992390.db2.gz YYIXIKBQDAMXPO-PBHICJAKSA-N 0 3 350.365 2.495 20 30 FEEDHN COCCO[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000781963391 681992527 /nfs/dbraw/zinc/99/25/27/681992527.db2.gz WOMDLIATABHPDE-KGLIPLIRSA-N 0 3 359.451 2.210 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCCS2)cc1 ZINC000783359332 682137620 /nfs/dbraw/zinc/13/76/20/682137620.db2.gz VHDKJIPHYMIYQG-GJZGRUSLSA-N 0 3 359.451 2.321 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(C)n2)cc1OC ZINC000916934087 685528633 /nfs/dbraw/zinc/52/86/33/685528633.db2.gz DJYVPZJJOALTQX-CYBMUJFWSA-N 0 3 359.407 2.359 20 30 FEEDHN CN(C)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1cccc(F)c1 ZINC000784555075 682237566 /nfs/dbraw/zinc/23/75/66/682237566.db2.gz KGTZOAMTEBEYAD-INIZCTEOSA-N 0 3 362.430 2.060 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)CN(CCC(C)(C)C)CCO2 ZINC000972560793 682421704 /nfs/dbraw/zinc/42/17/04/682421704.db2.gz GDUIEGVOBJSJSW-FUHIMQAGSA-N 0 3 350.503 2.317 20 30 FEEDHN COC(=O)[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000787327236 682450941 /nfs/dbraw/zinc/45/09/41/682450941.db2.gz ZGMZTLBCYSHSFV-UPJWGTAASA-N 0 3 357.435 2.356 20 30 FEEDHN COC(=O)CCN1CCC(N=Nc2nnc(-c3ccccn3)s2)CC1 ZINC000788726935 682554060 /nfs/dbraw/zinc/55/40/60/682554060.db2.gz XRFIPXVKWHAYHL-UHFFFAOYSA-N 0 3 360.443 2.027 20 30 FEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000860471885 683248277 /nfs/dbraw/zinc/24/82/77/683248277.db2.gz WKZOMYYSFRZREQ-DDHJSBNISA-N 0 3 359.223 2.322 20 30 FEEDHN CCCCCCCS(=O)(=O)N[C@@H]1C[C@]2(CN(C)[C@H]2C(C)C)C[C@H]1O ZINC000920274165 683328083 /nfs/dbraw/zinc/32/80/83/683328083.db2.gz MMXZJJLTAMFUSO-ZJPYXAASSA-N 0 3 360.564 2.356 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000861837330 683483724 /nfs/dbraw/zinc/48/37/24/683483724.db2.gz AKZQHCAQDCEXAN-USXIJHARSA-N 0 3 361.283 2.406 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC000865193704 683949119 /nfs/dbraw/zinc/94/91/19/683949119.db2.gz NTMQVBDGQQQZAO-INIZCTEOSA-N 0 3 359.417 2.056 20 30 FEEDHN N#C[C@]1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCCOC1 ZINC000865734774 684020800 /nfs/dbraw/zinc/02/08/00/684020800.db2.gz NVLKGXTYWADAAH-QGZVFWFLSA-N 0 3 351.516 2.175 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000931801799 684350936 /nfs/dbraw/zinc/35/09/36/684350936.db2.gz HCNKKVVBDZPWTB-UHFFFAOYSA-N 0 3 351.760 2.175 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](C2OCCO2)C1 ZINC000932003596 684387019 /nfs/dbraw/zinc/38/70/19/684387019.db2.gz WRXKTQZTDKQVNO-CABCVRRESA-N 0 3 350.484 2.346 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000871008347 684779494 /nfs/dbraw/zinc/77/94/94/684779494.db2.gz RZAXCHBWMNZAGF-BXUZGUMPSA-N 0 3 366.259 2.280 20 30 FEEDHN CN1Cc2ccccc2[C@@H]1CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000872236254 684930658 /nfs/dbraw/zinc/93/06/58/684930658.db2.gz PEXTVHJENQDJBQ-IBGZPJMESA-N 0 3 355.463 2.108 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CCC(=O)OC)C2)CC1 ZINC000875248334 685764744 /nfs/dbraw/zinc/76/47/44/685764744.db2.gz RKGKAOCBAZDRSO-INIZCTEOSA-N 0 3 351.491 2.402 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000876636160 686234106 /nfs/dbraw/zinc/23/41/06/686234106.db2.gz RFKTWKPADORYDI-GFCCVEGCSA-N 0 3 374.666 2.282 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000876693494 686245387 /nfs/dbraw/zinc/24/53/87/686245387.db2.gz WISLUPKXNHTTKI-HOCLYGCPSA-N 0 3 352.862 2.496 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000876728070 686254183 /nfs/dbraw/zinc/25/41/83/686254183.db2.gz XIZBQSGFOXICQL-UONOGXRCSA-N 0 3 350.850 2.037 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000876755774 686261568 /nfs/dbraw/zinc/26/15/68/686261568.db2.gz WPCOFCSUYCNAAQ-YOEHRIQHSA-N 0 3 351.878 2.370 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000876963714 686301831 /nfs/dbraw/zinc/30/18/31/686301831.db2.gz UGDZDZKQPNVDHZ-GDBMZVCRSA-N 0 3 350.846 2.479 20 30 FEEDHN COC(=O)[C@]12CCC[C@H]1N([C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000880183146 687012780 /nfs/dbraw/zinc/01/27/80/687012780.db2.gz MYVBSUIQICXJPB-IYOUNJFTSA-N 0 3 359.451 2.143 20 30 FEEDHN C#CC[C@H](CO)NCc1cc(Br)c(OCC=C)c(OC)c1 ZINC000883122997 687572043 /nfs/dbraw/zinc/57/20/43/687572043.db2.gz ICXGVWCLQAUWKK-CYBMUJFWSA-N 0 3 354.244 2.496 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CNCC2(S(=O)(=O)NC(C)(C)C)CC2)cc1 ZINC000883291717 687600869 /nfs/dbraw/zinc/60/08/69/687600869.db2.gz PORIDBQTUVIHHN-CQSZACIVSA-N 0 3 365.499 2.318 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](N)CC2CC2)nc1C ZINC000884067185 687783042 /nfs/dbraw/zinc/78/30/42/687783042.db2.gz XLGBDQGSMRRBLM-SNVBAGLBSA-N 0 3 364.500 2.251 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3c(Br)cccc3C1)C2 ZINC000884116924 687793121 /nfs/dbraw/zinc/79/31/21/687793121.db2.gz JTGINFPKZYSISS-FVRSWCFKSA-N 0 3 374.282 2.473 20 30 FEEDHN C#CCN(C(=O)CC1CCN(CC(F)(F)F)CC1)C1CCN(C)CC1 ZINC000886573487 688278025 /nfs/dbraw/zinc/27/80/25/688278025.db2.gz KMPMKVODOIGQGS-UHFFFAOYSA-N 0 3 359.436 2.207 20 30 FEEDHN C#CCN(C(=O)c1cc(Br)c(=O)[nH]c1C)C1CCN(C)CC1 ZINC000886575782 688278710 /nfs/dbraw/zinc/27/87/10/688278710.db2.gz KUAKHGOJMULLHS-UHFFFAOYSA-N 0 3 366.259 2.028 20 30 FEEDHN CN(C)CCn1nccc1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000887995038 688532877 /nfs/dbraw/zinc/53/28/77/688532877.db2.gz UWMWIVWPVGSOAE-UHFFFAOYSA-N 0 3 362.231 2.331 20 30 FEEDHN N#Cc1sc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)nc1Cl ZINC000888425769 688610472 /nfs/dbraw/zinc/61/04/72/688610472.db2.gz AITUTGWUYQGWEH-JTQLQIEISA-N 0 3 355.851 2.043 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1nc(C#N)cs1 ZINC000894231959 689491275 /nfs/dbraw/zinc/49/12/75/689491275.db2.gz AOXKLFWLWMGWJO-BBRMVZONSA-N 0 3 355.467 2.334 20 30 FEEDHN C#C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccc(Cl)cc1 ZINC000895684894 689754466 /nfs/dbraw/zinc/75/44/66/689754466.db2.gz GTAAGTPSEGCHAX-KSZLIROESA-N 0 3 361.873 2.255 20 30 FEEDHN CC(C)(C)OC(=O)NCCN1CCC(NCc2nc(C#N)cs2)CC1 ZINC000897626902 690052378 /nfs/dbraw/zinc/05/23/78/690052378.db2.gz XANMWXMKXQAMNH-UHFFFAOYSA-N 0 3 365.503 2.093 20 30 FEEDHN C=CCNc1ncc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000900979935 690596067 /nfs/dbraw/zinc/59/60/67/690596067.db2.gz FWPXJRAIRPEHOM-ZIAGYGMSSA-N 0 3 352.504 2.360 20 30 FEEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000906911580 691342183 /nfs/dbraw/zinc/34/21/83/691342183.db2.gz JIPQJFUZLLKIAL-CQSZACIVSA-N 0 3 358.467 2.361 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@@H]3C2)cn1 ZINC001164764862 721111578 /nfs/dbraw/zinc/11/15/78/721111578.db2.gz IGPDLYWSYDTBSU-CABCVRRESA-N 0 3 356.861 2.298 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@H]3C2)cn1 ZINC001164764867 721112175 /nfs/dbraw/zinc/11/21/75/721112175.db2.gz IGPDLYWSYDTBSU-HUUCEWRRSA-N 0 3 356.861 2.298 20 30 FEEDHN Cc1nc(C#N)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164908697 721566549 /nfs/dbraw/zinc/56/65/49/721566549.db2.gz RSGYJWDXFRNHDH-SJLPKXTDSA-N 0 3 353.401 2.138 20 30 FEEDHN Cc1ccc(C#N)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982314 722106078 /nfs/dbraw/zinc/10/60/78/722106078.db2.gz NKMIKTUPVATYIY-WOJBJXKFSA-N 0 3 363.465 2.384 20 30 FEEDHN CC(C)N(C)C(=O)C1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000030273600 539876526 /nfs/dbraw/zinc/87/65/26/539876526.db2.gz QBCSXKFZGZYIQK-UHFFFAOYSA-N 0 3 356.470 2.466 20 30 FEEDHN C=CCN(CCC(=O)N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000045796856 540228036 /nfs/dbraw/zinc/22/80/36/540228036.db2.gz RUDXRKNCNCOMGL-UHFFFAOYSA-N 0 3 365.481 2.204 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(C)C ZINC000046049444 540239009 /nfs/dbraw/zinc/23/90/09/540239009.db2.gz ITCWIKUZNUOXFE-GJYPPUQNSA-N 0 3 365.543 2.255 20 30 FEEDHN CN(C)S(=O)(=O)c1ccc(OCCN(C)Cc2ccc(C#N)cc2)cc1 ZINC000046528789 540261482 /nfs/dbraw/zinc/26/14/82/540261482.db2.gz HNILNEFLAFLFJP-UHFFFAOYSA-N 0 3 373.478 2.319 20 30 FEEDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCOc1cccc(C#N)c1 ZINC000051563338 540437703 /nfs/dbraw/zinc/43/77/03/540437703.db2.gz HJTIVQOCXNUDKC-AWEZNQCLSA-N 0 3 359.451 2.277 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C3CC3)C3CCCCC3)CC2)o1 ZINC000052664813 540480190 /nfs/dbraw/zinc/48/01/90/540480190.db2.gz LDTGWAIUACNOKF-UHFFFAOYSA-N 0 3 371.485 2.300 20 30 FEEDHN C#CCN1CCC(C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000057171758 540776124 /nfs/dbraw/zinc/77/61/24/540776124.db2.gz DUAPCHPLVZNWDI-UHFFFAOYSA-N 0 3 355.269 2.262 20 30 FEEDHN N#Cc1ccc(CN2CCCN(c3cncc(-n4cccn4)n3)CC2)cc1 ZINC000108101726 209282558 /nfs/dbraw/zinc/28/25/58/209282558.db2.gz UHGFTNWNQQMKQM-UHFFFAOYSA-N 0 3 359.437 2.246 20 30 FEEDHN CCN(CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CC1 ZINC000542838995 541484218 /nfs/dbraw/zinc/48/42/18/541484218.db2.gz VPJBDEADPAXYJX-UHFFFAOYSA-N 0 3 356.405 2.489 20 30 FEEDHN CN(CCN1CCCC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542960113 541509101 /nfs/dbraw/zinc/50/91/01/541509101.db2.gz NEHJLEYHRUAKSY-UHFFFAOYSA-N 0 3 356.405 2.443 20 30 FEEDHN COC(=O)[C@@H]1CCC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000073108041 541918993 /nfs/dbraw/zinc/91/89/93/541918993.db2.gz YBQSNTCOYQAGJM-RBUKOAKNSA-N 0 3 371.481 2.428 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000076512824 542287991 /nfs/dbraw/zinc/28/79/91/542287991.db2.gz NTMKYNDYJAOODS-UHFFFAOYSA-N 0 3 351.834 2.054 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000076526473 542289156 /nfs/dbraw/zinc/28/91/56/542289156.db2.gz MMRUYQOLJIDFAV-UHFFFAOYSA-N 0 3 355.360 2.411 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CC(=O)OC)c2ccc(SC)cc2)CC1 ZINC000076831580 542324294 /nfs/dbraw/zinc/32/42/94/542324294.db2.gz FXSAATUQLUBNMB-SFHVURJKSA-N 0 3 374.506 2.474 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)NCCC ZINC000078557817 542467114 /nfs/dbraw/zinc/46/71/14/542467114.db2.gz QLCFHAHFYVSPBS-OAHLLOKOSA-N 0 3 365.547 2.499 20 30 FEEDHN CC(C)[C@@H](NCc1cccc(OCCCC#N)c1)C(=O)N1CCOCC1 ZINC000084053690 542707208 /nfs/dbraw/zinc/70/72/08/542707208.db2.gz NGDICQDOTOKTJF-LJQANCHMSA-N 0 3 359.470 2.342 20 30 FEEDHN CN(C)CCN(C)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000085364563 542725103 /nfs/dbraw/zinc/72/51/03/542725103.db2.gz RYUJBBJZZRCOFH-UHFFFAOYSA-N 0 3 370.413 2.006 20 30 FEEDHN C#CCN1CCC(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)CC1 ZINC000089855807 542771545 /nfs/dbraw/zinc/77/15/45/542771545.db2.gz MLVAQDFDXCSYIU-UHFFFAOYSA-N 0 3 362.420 2.432 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CCN1CCCC1 ZINC000089899248 542772110 /nfs/dbraw/zinc/77/21/10/542772110.db2.gz UDOTXRSSBHUVJX-KRWDZBQOSA-N 0 3 358.486 2.358 20 30 FEEDHN C[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CN(C)CCO1 ZINC000091063562 542793281 /nfs/dbraw/zinc/79/32/81/542793281.db2.gz LNGFIWIXQAQRCE-VQIMIIECSA-N 0 3 353.470 2.272 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)C(C)C ZINC000101684422 543041400 /nfs/dbraw/zinc/04/14/00/543041400.db2.gz RZQMDAXXRILORS-GOSISDBHSA-N 0 3 354.458 2.091 20 30 FEEDHN CN(C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000102963006 543086713 /nfs/dbraw/zinc/08/67/13/543086713.db2.gz VTZBIHGJDBPCAO-UHFFFAOYSA-N 0 3 354.385 2.014 20 30 FEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(Cc2nccn2C)CC1 ZINC000106164788 543211247 /nfs/dbraw/zinc/21/12/47/543211247.db2.gz VEQJTSYTSSJQHR-INIZCTEOSA-N 0 3 357.502 2.406 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CC1 ZINC000106290647 543221782 /nfs/dbraw/zinc/22/17/82/543221782.db2.gz XWGSFFUCLVSZHT-NRFANRHFSA-N 0 3 370.541 2.132 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(C4CCCC4)C3)cc2C1=O ZINC000106789970 543247440 /nfs/dbraw/zinc/24/74/40/543247440.db2.gz MBTSAXKPKXJKOO-HNNXBMFYSA-N 0 3 367.449 2.215 20 30 FEEDHN CN1CCC[C@H](CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000108590233 543296042 /nfs/dbraw/zinc/29/60/42/543296042.db2.gz LEUOZZALGBERSD-HXUWFJFHSA-N 0 3 369.513 2.117 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(-c3nc[nH]n3)c2)CC1 ZINC000115678816 543581149 /nfs/dbraw/zinc/58/11/49/543581149.db2.gz DNUCUJDUKKUBNV-UHFFFAOYSA-N 0 3 354.458 2.311 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000118126568 543648032 /nfs/dbraw/zinc/64/80/32/543648032.db2.gz GFCOQHUYXLEWMP-KRWDZBQOSA-N 0 3 372.469 2.298 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000118897876 543662032 /nfs/dbraw/zinc/66/20/32/543662032.db2.gz SXPBGNGUNAHRCR-GJZGRUSLSA-N 0 3 374.510 2.335 20 30 FEEDHN C=CCCS(=O)(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000120602336 543682431 /nfs/dbraw/zinc/68/24/31/543682431.db2.gz JGGHDBNTARQLFL-INIZCTEOSA-N 0 3 352.500 2.382 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O)C(C)C ZINC000124548373 543829052 /nfs/dbraw/zinc/82/90/52/543829052.db2.gz DWSWJHWRBLCQLG-OKZBNKHCSA-N 0 3 364.534 2.418 20 30 FEEDHN CCN(CCC#N)C(=O)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125499966 543884929 /nfs/dbraw/zinc/88/49/29/543884929.db2.gz ZJJLTODNKPVAIP-UHFFFAOYSA-N 0 3 357.380 2.370 20 30 FEEDHN N#Cc1ccc(C(F)(F)F)c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000127995928 544026613 /nfs/dbraw/zinc/02/66/13/544026613.db2.gz ANWJGJRPNNLRRT-OAHLLOKOSA-N 0 3 366.387 2.496 20 30 FEEDHN N#Cc1cccnc1N1CCCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000129692783 544123729 /nfs/dbraw/zinc/12/37/29/544123729.db2.gz IYRGOXAIPMJKPT-UHFFFAOYSA-N 0 3 359.437 2.246 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000130493172 544153472 /nfs/dbraw/zinc/15/34/72/544153472.db2.gz VBSIJTPMZISEKJ-QGZVFWFLSA-N 0 3 372.513 2.105 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)Nc2cnn(CCN(C)C)c2)cc1 ZINC000130588846 544157100 /nfs/dbraw/zinc/15/71/00/544157100.db2.gz DNSIQFKZDWIXOL-UHFFFAOYSA-N 0 3 356.430 2.005 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)c1C ZINC000130699560 544161668 /nfs/dbraw/zinc/16/16/68/544161668.db2.gz UOPHOEYOGVJCGJ-DLBZAZTESA-N 0 3 356.470 2.184 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000151463161 544545099 /nfs/dbraw/zinc/54/50/99/544545099.db2.gz CRRZEWUZIMPMOW-QGZVFWFLSA-N 0 3 354.454 2.364 20 30 FEEDHN CN(C(=O)c1ccc(NC(=O)CSCC#N)cc1)[C@@H]1CCCN(C)C1 ZINC000151801436 544582448 /nfs/dbraw/zinc/58/24/48/544582448.db2.gz FEIZBMOYQYTOCZ-MRXNPFEDSA-N 0 3 360.483 2.048 20 30 FEEDHN CC(C)(C)[C@H](CCO)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000181465552 327731963 /nfs/dbraw/zinc/73/19/63/327731963.db2.gz LRILFBOKDNZLAQ-INIZCTEOSA-N 0 3 355.442 2.069 20 30 FEEDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1OC ZINC000553886020 674291998 /nfs/dbraw/zinc/29/19/98/674291998.db2.gz HIXWCDKXJQKRHC-UHFFFAOYSA-N 0 3 365.499 2.453 20 30 FEEDHN CCOC(=O)C[C@@](C)(NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000186689479 327976304 /nfs/dbraw/zinc/97/63/04/327976304.db2.gz ICCVYEDNCCPJSS-GOSISDBHSA-N 0 3 366.483 2.289 20 30 FEEDHN C[C@H](NC(=O)CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000188402664 328084746 /nfs/dbraw/zinc/08/47/46/328084746.db2.gz XCZIBQDPAQIJKX-INIZCTEOSA-N 0 3 372.513 2.389 20 30 FEEDHN Cn1cc(CNCc2ccc(C(=O)NCCN3CCCC3)cc2)cc1C#N ZINC000191121544 328250798 /nfs/dbraw/zinc/25/07/98/328250798.db2.gz XECJFGQEVUNMBW-UHFFFAOYSA-N 0 3 365.481 2.012 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192984689 328350759 /nfs/dbraw/zinc/35/07/59/328350759.db2.gz SSEDQLKIFDOQER-INIZCTEOSA-N 0 3 373.453 2.498 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000193572658 328382471 /nfs/dbraw/zinc/38/24/71/328382471.db2.gz CKSDILCSRVGCSO-UHFFFAOYSA-N 0 3 364.449 2.396 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3C(C)C)CC2)o1 ZINC000117347491 326058398 /nfs/dbraw/zinc/05/83/98/326058398.db2.gz NTALZUZSHIPOEJ-KRWDZBQOSA-N 0 3 359.474 2.014 20 30 FEEDHN C[C@H](Oc1cccnc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000117758747 326069792 /nfs/dbraw/zinc/06/97/92/326069792.db2.gz VLYDCUINOXGZRS-INIZCTEOSA-N 0 3 352.438 2.311 20 30 FEEDHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000120748757 326284582 /nfs/dbraw/zinc/28/45/82/326284582.db2.gz FUCOWQPIIGKWPQ-HUUCEWRRSA-N 0 3 367.490 2.485 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCCN(C(=O)C3CC3)CC2)cc1Cl ZINC000121237559 326324199 /nfs/dbraw/zinc/32/41/99/326324199.db2.gz GEDXEXRRZPZCAO-UHFFFAOYSA-N 0 3 374.872 2.485 20 30 FEEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156909969 326848126 /nfs/dbraw/zinc/84/81/26/326848126.db2.gz BRAGIEYZUVNYKX-DNVCBOLYSA-N 0 3 364.511 2.499 20 30 FEEDHN N#Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)[nH]1 ZINC000159180727 326921704 /nfs/dbraw/zinc/92/17/04/326921704.db2.gz GWLLRKNEJKXHTO-UHFFFAOYSA-N 0 3 351.454 2.219 20 30 FEEDHN N#Cc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1C(F)(F)F ZINC000167256548 327084431 /nfs/dbraw/zinc/08/44/31/327084431.db2.gz KHOSRZQAHRRFKH-INIZCTEOSA-N 0 3 366.387 2.496 20 30 FEEDHN COCCN(C)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000171128226 327119909 /nfs/dbraw/zinc/11/99/09/327119909.db2.gz CUOCBQNZIAFYCN-UHFFFAOYSA-N 0 3 367.449 2.445 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H](CC(N)=O)C1)CCC2 ZINC000175251998 327382586 /nfs/dbraw/zinc/38/25/86/327382586.db2.gz KFVINAVHDBIDRM-LBPRGKRZSA-N 0 3 360.483 2.024 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C)CCOCC1 ZINC000267801514 329359071 /nfs/dbraw/zinc/35/90/71/329359071.db2.gz AXSBEEVOFYJHGB-UHFFFAOYSA-N 0 3 358.486 2.448 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000267955522 329371542 /nfs/dbraw/zinc/37/15/42/329371542.db2.gz SBBRBHBDEQYZIP-QFBILLFUSA-N 0 3 367.497 2.011 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCC(C)(C)CO ZINC000267957142 329371774 /nfs/dbraw/zinc/37/17/74/329371774.db2.gz VYBWJXVRRPDQMQ-UHFFFAOYSA-N 0 3 360.502 2.430 20 30 FEEDHN CCC(CC)(CC(=O)OC)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000268504841 329428441 /nfs/dbraw/zinc/42/84/41/329428441.db2.gz WFLYVZPTIATUHZ-UHFFFAOYSA-N 0 3 352.456 2.043 20 30 FEEDHN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)N1CCCC1 ZINC000269086588 329484244 /nfs/dbraw/zinc/48/42/44/329484244.db2.gz JICMZSNOAGXBHW-INIZCTEOSA-N 0 3 362.861 2.387 20 30 FEEDHN C[C@H]1[C@@H](NCc2cnc3ccc(C#N)cn23)CC(=O)N1Cc1ccccc1 ZINC000367046816 330211002 /nfs/dbraw/zinc/21/10/02/330211002.db2.gz BXYKYAYJZMAPTE-KXBFYZLASA-N 0 3 359.433 2.485 20 30 FEEDHN CN1CCN(C[C@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000367214067 330231012 /nfs/dbraw/zinc/23/10/12/330231012.db2.gz ZDYUHUYWIMBXAP-MRXNPFEDSA-N 0 3 360.889 2.311 20 30 FEEDHN CN(CC(=O)NCc1ccco1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328644586 522405773 /nfs/dbraw/zinc/40/57/73/522405773.db2.gz RWONMQZSZWFOLT-HNAYVOBHSA-N 0 3 359.474 2.485 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NCCCCN2CCN(C)CC2)cc1C#N ZINC000157833837 545788872 /nfs/dbraw/zinc/78/88/72/545788872.db2.gz RHHQILFPIHVFAD-UHFFFAOYSA-N 0 3 373.501 2.495 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nccc(N)n1 ZINC000162758395 546141763 /nfs/dbraw/zinc/14/17/63/546141763.db2.gz PXBHYYNTLYNCFW-UHFFFAOYSA-N 0 3 359.503 2.157 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CNCc2cccnc2N2CCN(C)CC2)cc1 ZINC000171563464 546214235 /nfs/dbraw/zinc/21/42/35/546214235.db2.gz WQTRYJIXORRJOL-QGZVFWFLSA-N 0 3 365.481 2.414 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc3cccnc32)CC1 ZINC000171621209 546216171 /nfs/dbraw/zinc/21/61/71/546216171.db2.gz VALHIRIGBCCJIY-UHFFFAOYSA-N 0 3 352.438 2.330 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 ZINC000171713571 546221043 /nfs/dbraw/zinc/22/10/43/546221043.db2.gz GCRKNUGYYKXDKA-UHFFFAOYSA-N 0 3 353.470 2.381 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000173296377 546278112 /nfs/dbraw/zinc/27/81/12/546278112.db2.gz CYKRDVZLZZXWPO-SFHVURJKSA-N 0 3 357.498 2.494 20 30 FEEDHN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000175994342 546386522 /nfs/dbraw/zinc/38/65/22/546386522.db2.gz DXYVHYCZSASONG-UHFFFAOYSA-N 0 3 358.417 2.113 20 30 FEEDHN N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000176001642 546389038 /nfs/dbraw/zinc/38/90/38/546389038.db2.gz GWPLBQUTBQBPDT-INIZCTEOSA-N 0 3 358.417 2.017 20 30 FEEDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481067216 561224393 /nfs/dbraw/zinc/22/43/93/561224393.db2.gz FLTNJORBQHJGJX-MRXNPFEDSA-N 0 3 353.463 2.333 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000481132559 561225896 /nfs/dbraw/zinc/22/58/96/561225896.db2.gz XKEVSYTVPAMXTM-ROUUACIJSA-N 0 3 357.498 2.438 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481497323 561234225 /nfs/dbraw/zinc/23/42/25/561234225.db2.gz WIUDJKKGGGWBRX-INIZCTEOSA-N 0 3 365.495 2.226 20 30 FEEDHN O=C(NCCNCc1ccc(OC(F)F)c(F)c1)C1N=CC=CC1=O ZINC000178993387 546884688 /nfs/dbraw/zinc/88/46/88/546884688.db2.gz UTIJXOIVDBWIMX-PFONDFGASA-N 0 3 355.316 2.043 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000481829289 561243443 /nfs/dbraw/zinc/24/34/43/561243443.db2.gz JCWAPORYRUBXNH-RTBURBONSA-N 0 3 371.525 2.480 20 30 FEEDHN C[C@@H](O)CN1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC000181093887 547248930 /nfs/dbraw/zinc/24/89/30/547248930.db2.gz YVHASOJKSJQYLD-QWHCGFSZSA-N 0 3 352.276 2.208 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)N1CCCC1 ZINC000181737334 547370602 /nfs/dbraw/zinc/37/06/02/547370602.db2.gz XOAUGTNUVVLEPT-DOTOQJQBSA-N 0 3 372.469 2.153 20 30 FEEDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000181971430 547415086 /nfs/dbraw/zinc/41/50/86/547415086.db2.gz UPCUGKJUTXGOBN-CYBMUJFWSA-N 0 3 374.422 2.096 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnn([C@@H](C)CC)c2C)CC1 ZINC000483872682 561285352 /nfs/dbraw/zinc/28/53/52/561285352.db2.gz PLOBJZDRWIVAMR-AWEZNQCLSA-N 0 3 361.490 2.258 20 30 FEEDHN Cc1nn(CC(=O)OC(C)C)c(C)c1CNCCOc1ccc(C#N)cc1 ZINC000182480814 547501323 /nfs/dbraw/zinc/50/13/23/547501323.db2.gz NLAPJYGFLGSRSN-UHFFFAOYSA-N 0 3 370.453 2.492 20 30 FEEDHN CCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1 ZINC000182751157 547546415 /nfs/dbraw/zinc/54/64/15/547546415.db2.gz VQIDSSKPXWFVCW-IBGZPJMESA-N 0 3 358.461 2.409 20 30 FEEDHN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183759135 547714839 /nfs/dbraw/zinc/71/48/39/547714839.db2.gz KTTXIBYVBHUOFX-CTNGQTDRSA-N 0 3 354.498 2.391 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 ZINC000185463058 547988591 /nfs/dbraw/zinc/98/85/91/547988591.db2.gz MYZCBBBELPWPGA-GJZGRUSLSA-N 0 3 365.499 2.213 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCN(CC(C)C)C1 ZINC000185866758 548048107 /nfs/dbraw/zinc/04/81/07/548048107.db2.gz RWESYLNFFBOOJW-INIZCTEOSA-N 0 3 365.499 2.213 20 30 FEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000186700006 548175769 /nfs/dbraw/zinc/17/57/69/548175769.db2.gz LTFQDTFRPPEHKH-NVXWUHKLSA-N 0 3 352.500 2.449 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000189644721 548306738 /nfs/dbraw/zinc/30/67/38/548306738.db2.gz FZMLBJDZCZHJHX-NRFANRHFSA-N 0 3 373.497 2.457 20 30 FEEDHN C#CCCCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000192099581 548358916 /nfs/dbraw/zinc/35/89/16/548358916.db2.gz AUOMEAHDCJBDDY-IBGZPJMESA-N 0 3 354.498 2.246 20 30 FEEDHN N#C[C@H]1CN(C(=O)C2CCN(C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192552810 548366223 /nfs/dbraw/zinc/36/62/23/548366223.db2.gz JVCGLWCZWQXHSV-FQEVSTJZSA-N 0 3 352.482 2.097 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2cnccn2)CC1)C(C)C ZINC000193859835 548398205 /nfs/dbraw/zinc/39/82/05/548398205.db2.gz NGYQABRURWMBOD-GOSISDBHSA-N 0 3 372.517 2.007 20 30 FEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000487745176 561374873 /nfs/dbraw/zinc/37/48/73/561374873.db2.gz VQPHKJJBLYIBLW-NEWSRXKRSA-N 0 3 372.513 2.394 20 30 FEEDHN C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)N1CCC[C@@H](C)C1 ZINC000245394446 548905787 /nfs/dbraw/zinc/90/57/87/548905787.db2.gz FQAJMPQLRLYNFH-HUUCEWRRSA-N 0 3 366.469 2.176 20 30 FEEDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000246703951 549191940 /nfs/dbraw/zinc/19/19/40/549191940.db2.gz KGLXURQAETYACP-RMJJICAUSA-N 0 3 354.498 2.484 20 30 FEEDHN C=CCn1cccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000488824684 561397809 /nfs/dbraw/zinc/39/78/09/561397809.db2.gz ZKRVRUBFWVDDKQ-MOPGFXCFSA-N 0 3 353.466 2.287 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246832729 549224865 /nfs/dbraw/zinc/22/48/65/549224865.db2.gz BTOPUOIAJNHKPN-CZUORRHYSA-N 0 3 353.875 2.316 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489111506 561403500 /nfs/dbraw/zinc/40/35/00/561403500.db2.gz PPHYLIPMAZBZKP-CYBMUJFWSA-N 0 3 353.463 2.486 20 30 FEEDHN Cc1ncc(S(=O)(=O)NCC(C)(C)N2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000489115012 561403809 /nfs/dbraw/zinc/40/38/09/561403809.db2.gz FIYWMRYJPAUUBS-OKILXGFUSA-N 0 3 364.515 2.297 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCC[C@H](C)C1 ZINC000248681363 549482697 /nfs/dbraw/zinc/48/26/97/549482697.db2.gz OYZSPWYFGXYROF-LSDHHAIUSA-N 0 3 373.501 2.290 20 30 FEEDHN C=CCN(C(=O)c1ccc(CN2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264155271 549985934 /nfs/dbraw/zinc/98/59/34/549985934.db2.gz ILJUYMZMQIWCEZ-SFHVURJKSA-N 0 3 362.495 2.098 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C)c(OCC)c2)CC1 ZINC000264360344 549994516 /nfs/dbraw/zinc/99/45/16/549994516.db2.gz HKUXGHPWDSUFOI-UHFFFAOYSA-N 0 3 359.470 2.489 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000264343811 549994684 /nfs/dbraw/zinc/99/46/84/549994684.db2.gz JGNTZHJKZOFYQR-QGZVFWFLSA-N 0 3 358.486 2.224 20 30 FEEDHN CN(C)CCOc1ccc(CCNc2nccc(C#N)c2[N+](=O)[O-])cc1 ZINC000268463412 550070085 /nfs/dbraw/zinc/07/00/85/550070085.db2.gz HVDUBFFYKYUSRA-UHFFFAOYSA-N 0 3 355.398 2.456 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H]1CCC[C@@]1(C)CO ZINC000493444543 561456204 /nfs/dbraw/zinc/45/62/04/561456204.db2.gz WDDWOIMDTKGDLV-QSFXBCCZSA-N 0 3 359.470 2.471 20 30 FEEDHN CN(C)CCn1cc(NC(=O)CSc2ccc(C#N)cc2)ccc1=O ZINC000270305633 550260458 /nfs/dbraw/zinc/26/04/58/550260458.db2.gz ZEYIYLONDGPRLX-UHFFFAOYSA-N 0 3 356.451 2.012 20 30 FEEDHN N#CCc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000270871085 550315812 /nfs/dbraw/zinc/31/58/12/550315812.db2.gz ODHIQTHIZRYQQP-RTWAWAEBSA-N 0 3 363.461 2.365 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@]1(C)CCO[C@@H]1C ZINC000494256357 561465853 /nfs/dbraw/zinc/46/58/53/561465853.db2.gz IPQUWONZBGINPJ-DNVCBOLYSA-N 0 3 362.474 2.109 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000494464342 561470348 /nfs/dbraw/zinc/47/03/48/561470348.db2.gz QKKJBYQKNIRKLH-ICSRJNTNSA-N 0 3 357.454 2.489 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)CC1 ZINC000272416356 550445591 /nfs/dbraw/zinc/44/55/91/550445591.db2.gz MOGUQBHSTBUZFP-UHFFFAOYSA-N 0 3 369.513 2.269 20 30 FEEDHN C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C1=CCN(C)CC1 ZINC000272740147 550467784 /nfs/dbraw/zinc/46/77/84/550467784.db2.gz CQFSINHBAKGFIW-KRWDZBQOSA-N 0 3 367.497 2.430 20 30 FEEDHN C=CCN(C(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1)C1CC1 ZINC000276044076 550576253 /nfs/dbraw/zinc/57/62/53/550576253.db2.gz JKTRXZYOWSURIQ-UHFFFAOYSA-N 0 3 370.497 2.333 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](N2CCCC2=O)C1)C(C)C ZINC000276661621 550582859 /nfs/dbraw/zinc/58/28/59/550582859.db2.gz QLXWSPQHQDFRCO-MSOLQXFVSA-N 0 3 362.518 2.091 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Br)c1[O-] ZINC000277476773 550675261 /nfs/dbraw/zinc/67/52/61/550675261.db2.gz KHWBPVRLDLICHL-GFCCVEGCSA-N 0 3 355.280 2.043 20 30 FEEDHN Cc1ncc(CO)c(/C=N/C[C@H]2CN(Cc3ccccc3)CCCO2)c1O ZINC000277519288 550680139 /nfs/dbraw/zinc/68/01/39/550680139.db2.gz VAAXLJTYBNMBAY-OZNZCJATSA-N 0 3 369.465 2.298 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)NCCCN2CCCO[C@@H](C)C2)cc1 ZINC000277582788 550687508 /nfs/dbraw/zinc/68/75/08/550687508.db2.gz UDRDBGFKIHGDBZ-INIZCTEOSA-N 0 3 374.485 2.225 20 30 FEEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NCC2CCN(C3CC3)CC2)c1 ZINC000277812726 550716941 /nfs/dbraw/zinc/71/69/41/550716941.db2.gz XPPNDOAKGKETHP-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc1 ZINC000278736725 550816292 /nfs/dbraw/zinc/81/62/92/550816292.db2.gz WDCSBJFSUMWALH-OLZOCXBDSA-N 0 3 367.471 2.291 20 30 FEEDHN CN(C)C(=O)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000280402223 550989743 /nfs/dbraw/zinc/98/97/43/550989743.db2.gz KZPVWHJYVXRGGQ-KRWDZBQOSA-N 0 3 352.438 2.005 20 30 FEEDHN CN(C(=O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000280565429 551007979 /nfs/dbraw/zinc/00/79/79/551007979.db2.gz VFRRBLUOYYVHIX-KRWDZBQOSA-N 0 3 352.438 2.148 20 30 FEEDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCOc1ccccc1C#N ZINC000497584621 561504289 /nfs/dbraw/zinc/50/42/89/561504289.db2.gz IAWFHGDCDMAFGI-AWEZNQCLSA-N 0 3 359.451 2.277 20 30 FEEDHN COCCN(CCN(C)C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000283110750 551313310 /nfs/dbraw/zinc/31/33/10/551313310.db2.gz XMGJKSFGFDAIPW-UHFFFAOYSA-N 0 3 374.363 2.499 20 30 FEEDHN C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000283720196 551415402 /nfs/dbraw/zinc/41/54/02/551415402.db2.gz XILVHLDTMPCHKT-INIZCTEOSA-N 0 3 360.506 2.057 20 30 FEEDHN C=CC[N-]C(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(C(C)(C)C)cc1 ZINC000283928375 551451828 /nfs/dbraw/zinc/45/18/28/551451828.db2.gz FAFGRUHBUIJRLO-UHFFFAOYSA-O 0 3 358.491 2.115 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000498566493 561528721 /nfs/dbraw/zinc/52/87/21/561528721.db2.gz KMFIOSUVQXSETA-HNNXBMFYSA-N 0 3 359.470 2.304 20 30 FEEDHN N#Cc1cc(NCc2ccccc2CN2CC[C@H](O)C2)cc(N)c1[N+](=O)[O-] ZINC000286729352 551919731 /nfs/dbraw/zinc/91/97/31/551919731.db2.gz FMZGVWLHEHLXJY-KRWDZBQOSA-N 0 3 367.409 2.227 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CCC)Cc2ccccc2O)CC1 ZINC000286803062 551927553 /nfs/dbraw/zinc/92/75/53/551927553.db2.gz VBPGARRGFRYKFG-UHFFFAOYSA-N 0 3 373.497 2.288 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287077582 551960925 /nfs/dbraw/zinc/96/09/25/551960925.db2.gz KKDIIVWNVAHPSY-MLGOLLRUSA-N 0 3 360.845 2.235 20 30 FEEDHN COCCN(CCN(C)C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287265163 551982863 /nfs/dbraw/zinc/98/28/63/551982863.db2.gz QHXDLNNAXSSGST-UHFFFAOYSA-N 0 3 369.263 2.363 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(O)CCCCC2)cc1 ZINC000287382963 551997085 /nfs/dbraw/zinc/99/70/85/551997085.db2.gz RRZGQXZHUHIIML-CYBMUJFWSA-N 0 3 365.455 2.189 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)CC2CCC2)cc1 ZINC000287443805 552004852 /nfs/dbraw/zinc/00/48/52/552004852.db2.gz WKOWADSKRFMRDV-IUODEOHRSA-N 0 3 365.455 2.045 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)CC2CCC2)cc1 ZINC000287443801 552005056 /nfs/dbraw/zinc/00/50/56/552005056.db2.gz WKOWADSKRFMRDV-DOMZBBRYSA-N 0 3 365.455 2.045 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](CCC)Cc2ccccc2)CC1 ZINC000287502565 552012265 /nfs/dbraw/zinc/01/22/65/552012265.db2.gz YXOYJBBPOLFAMM-IBGZPJMESA-N 0 3 357.498 2.281 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000287824091 552051580 /nfs/dbraw/zinc/05/15/80/552051580.db2.gz BTRPIRZFRMRKJU-MJGOQNOKSA-N 0 3 357.498 2.438 20 30 FEEDHN C=CCCCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000288171179 552103808 /nfs/dbraw/zinc/10/38/08/552103808.db2.gz MPYMPHPRMRRHCL-PKOBYXMFSA-N 0 3 357.498 2.486 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288208968 552110728 /nfs/dbraw/zinc/11/07/28/552110728.db2.gz SZFDTCNCLNTSLC-GOEBONIOSA-N 0 3 371.485 2.138 20 30 FEEDHN C=CCN1CC[C@@H](N(C)CCCCCn2nnc(-c3ccccc3)n2)C1=O ZINC000500018048 561564221 /nfs/dbraw/zinc/56/42/21/561564221.db2.gz KNKLJQUTNRAVQT-GOSISDBHSA-N 0 3 368.485 2.229 20 30 FEEDHN Cc1onc(CC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1C#N ZINC000500359977 561570644 /nfs/dbraw/zinc/57/06/44/561570644.db2.gz HLBYMLCBXWLGRY-ZDUSSCGKSA-N 0 3 353.426 2.134 20 30 FEEDHN COc1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1OCCCC#N ZINC000290133655 552432508 /nfs/dbraw/zinc/43/25/08/552432508.db2.gz NFKBFZMJMBPYAH-MRXNPFEDSA-N 0 3 366.483 2.292 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290146761 552434908 /nfs/dbraw/zinc/43/49/08/552434908.db2.gz NFDYJSNDNWLKRE-WMLDXEAASA-N 0 3 357.454 2.071 20 30 FEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000290289275 552454730 /nfs/dbraw/zinc/45/47/30/552454730.db2.gz ASIZVHQHBSUVLA-YADHBBJMSA-N 0 3 362.473 2.210 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)cc1F ZINC000291614383 552643590 /nfs/dbraw/zinc/64/35/90/552643590.db2.gz BFRSGWBTKLVTKG-UHFFFAOYSA-N 0 3 374.441 2.287 20 30 FEEDHN CN1CCC(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000291711284 552653608 /nfs/dbraw/zinc/65/36/08/552653608.db2.gz PZHVMFUWLUJRNY-UHFFFAOYSA-N 0 3 356.470 2.491 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(F)(F)[C@H](CO)C2)cc1Cl ZINC000291885687 552671800 /nfs/dbraw/zinc/67/18/00/552671800.db2.gz QLSVFCPYAWGIQL-LBPRGKRZSA-N 0 3 357.788 2.490 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292086595 552692326 /nfs/dbraw/zinc/69/23/26/552692326.db2.gz FDAMUVCLOFMBAD-SFHVURJKSA-N 0 3 361.405 2.307 20 30 FEEDHN Cc1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1-n1cncn1 ZINC000292781223 552757940 /nfs/dbraw/zinc/75/79/40/552757940.db2.gz LKRLZTAJTXEQEW-GOSISDBHSA-N 0 3 360.421 2.496 20 30 FEEDHN C#CCNC(=O)CCN1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000292793597 552758910 /nfs/dbraw/zinc/75/89/10/552758910.db2.gz LRKQBOMHNQKPDT-UHFFFAOYSA-N 0 3 361.511 2.204 20 30 FEEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000292857784 552765472 /nfs/dbraw/zinc/76/54/72/552765472.db2.gz GPPLLIZSSYOLEV-IRXDYDNUSA-N 0 3 374.533 2.111 20 30 FEEDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292904263 552769803 /nfs/dbraw/zinc/76/98/03/552769803.db2.gz WIOPMBYSSYSWHY-INIZCTEOSA-N 0 3 353.875 2.318 20 30 FEEDHN C=CCOc1ccc(CC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000294971877 552948155 /nfs/dbraw/zinc/94/81/55/552948155.db2.gz QQTPMVXDFKFMQF-FQEVSTJZSA-N 0 3 359.514 2.182 20 30 FEEDHN C#CCCOc1ccc(C(=O)NC[C@H](C)CN2CCN(CC)CC2)cc1 ZINC000295009291 552950892 /nfs/dbraw/zinc/95/08/92/552950892.db2.gz XHIGPRLJLQCVFS-SFHVURJKSA-N 0 3 357.498 2.092 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000295270241 552978986 /nfs/dbraw/zinc/97/89/86/552978986.db2.gz RZDFEJDKHXJOCD-DYVFJYSZSA-N 0 3 353.463 2.189 20 30 FEEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC000296233607 553126895 /nfs/dbraw/zinc/12/68/95/553126895.db2.gz CDVVLDJHTCYNCO-BBRMVZONSA-N 0 3 359.875 2.018 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000296393013 553152366 /nfs/dbraw/zinc/15/23/66/553152366.db2.gz IKDQWUPMVBAPGO-AWEZNQCLSA-N 0 3 371.441 2.061 20 30 FEEDHN C#Cc1ccc(CNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 ZINC000296554195 553178695 /nfs/dbraw/zinc/17/86/95/553178695.db2.gz FSKBVKBSPVWWPC-NRFANRHFSA-N 0 3 363.461 2.234 20 30 FEEDHN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000296567981 553181021 /nfs/dbraw/zinc/18/10/21/553181021.db2.gz SRJWEIPIDKRWRY-ZDUSSCGKSA-N 0 3 368.384 2.128 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCOC2(C)C)cc1 ZINC000297852575 553347376 /nfs/dbraw/zinc/34/73/76/553347376.db2.gz OVALQFKUBURONM-FZMZJTMJSA-N 0 3 351.428 2.061 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000297971330 553364282 /nfs/dbraw/zinc/36/42/82/553364282.db2.gz YEVNOLGWXSRNJR-UHFFFAOYSA-N 0 3 369.918 2.469 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000298066230 553379605 /nfs/dbraw/zinc/37/96/05/553379605.db2.gz FINFYKVSHTXBSU-SJORKVTESA-N 0 3 363.527 2.300 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCN1CCCCCC1 ZINC000298292048 553408822 /nfs/dbraw/zinc/40/88/22/553408822.db2.gz JCVHUYOQMUMAMH-UHFFFAOYSA-N 0 3 368.485 2.143 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000298462651 553427520 /nfs/dbraw/zinc/42/75/20/553427520.db2.gz WNCUSUVWUFDZKZ-UHFFFAOYSA-N 0 3 370.497 2.240 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cccc(C(N)=O)c1)C(C)C ZINC000298678023 553457667 /nfs/dbraw/zinc/45/76/67/553457667.db2.gz POTWXHUQWOFLBE-GOSISDBHSA-N 0 3 358.486 2.283 20 30 FEEDHN C[C@@H](NC(=O)C1CCCC1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000299023345 553504834 /nfs/dbraw/zinc/50/48/34/553504834.db2.gz NPNVISIKSMVROS-MRXNPFEDSA-N 0 3 370.497 2.143 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000299192719 553528046 /nfs/dbraw/zinc/52/80/46/553528046.db2.gz SGPYVHAAKSHFGH-QFIPXVFZSA-N 0 3 369.509 2.188 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](CNC(C)=O)C1)C(C)C ZINC000299349750 553551471 /nfs/dbraw/zinc/55/14/71/553551471.db2.gz QGMJBUOONXBJRB-RBUKOAKNSA-N 0 3 364.534 2.243 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1nc2ccccn2c1C#N ZINC000302476265 553717850 /nfs/dbraw/zinc/71/78/50/553717850.db2.gz VKZDJOZYISRBOV-NRFANRHFSA-N 0 3 361.449 2.279 20 30 FEEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCn2ncnc2C1 ZINC000328781397 553821356 /nfs/dbraw/zinc/82/13/56/553821356.db2.gz UTVZMFGRGCBKIK-KRWDZBQOSA-N 0 3 368.485 2.308 20 30 FEEDHN Cc1ccc(NC(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1S(C)(=O)=O ZINC000328814565 553826203 /nfs/dbraw/zinc/82/62/03/553826203.db2.gz GGUUDBIIMFLMSS-CABCVRRESA-N 0 3 351.472 2.160 20 30 FEEDHN C[C@H]1CCCCN1CCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000328869699 553836078 /nfs/dbraw/zinc/83/60/78/553836078.db2.gz PFMZHJYVNQDGLR-FUHWJXTLSA-N 0 3 359.470 2.245 20 30 FEEDHN CN1C(=O)N[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)CC[C@@H]21 ZINC000328941974 553849799 /nfs/dbraw/zinc/84/97/99/553849799.db2.gz FLVYUQNMVQJVTB-CABCVRRESA-N 0 3 350.850 2.489 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000328954678 553852646 /nfs/dbraw/zinc/85/26/46/553852646.db2.gz IOAYALHSYDSQRK-HLIPFELVSA-N 0 3 368.437 2.360 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCO[C@@H](c3nc(C)cs3)C2)CC1 ZINC000328978975 553857852 /nfs/dbraw/zinc/85/78/52/553857852.db2.gz CRLUFDRRGBTPKC-OAHLLOKOSA-N 0 3 352.504 2.266 20 30 FEEDHN COc1ccc2c(c1)OC[C@H](NC(=O)N1CCN(C3CCCC3)CC1)C2 ZINC000328988161 553859771 /nfs/dbraw/zinc/85/97/71/553859771.db2.gz HNKFTUJYQUMTIT-MRXNPFEDSA-N 0 3 359.470 2.473 20 30 FEEDHN CN1CCC2(CCCN2C(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000329032751 553868315 /nfs/dbraw/zinc/86/83/15/553868315.db2.gz BMCVCCICVNVQRY-UHFFFAOYSA-N 0 3 373.501 2.483 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000329153067 553890003 /nfs/dbraw/zinc/89/00/03/553890003.db2.gz AYCKQJDFXYEBCL-JYJNAYRXSA-N 0 3 364.490 2.127 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000329168790 553893864 /nfs/dbraw/zinc/89/38/64/553893864.db2.gz IXDGAZBFNOLHPY-AKHDSKFASA-N 0 3 365.518 2.433 20 30 FEEDHN O=C(NCCc1nnc2n1CCCCC2)N1CC[C@@H](N2CCCCC2)C1 ZINC000329283379 553916982 /nfs/dbraw/zinc/91/69/82/553916982.db2.gz LDOKPHVJXKORLJ-MRXNPFEDSA-N 0 3 360.506 2.021 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCN(C4CC4)C3)C2)c(F)c1 ZINC000329307648 553922873 /nfs/dbraw/zinc/92/28/73/553922873.db2.gz PTOYSHXUCVRZAK-HOTGVXAUSA-N 0 3 371.460 2.406 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](c2nccn2C)C2CCOCC2)CCN1C ZINC000329317963 553924074 /nfs/dbraw/zinc/92/40/74/553924074.db2.gz HYXVTOCMJNWEDD-DJIMGWMZSA-N 0 3 363.506 2.216 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329514318 553960713 /nfs/dbraw/zinc/96/07/13/553960713.db2.gz YEJIVUOKEMWSKI-HUUCEWRRSA-N 0 3 366.531 2.313 20 30 FEEDHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1=O ZINC000329769932 554002875 /nfs/dbraw/zinc/00/28/75/554002875.db2.gz IGUXQNYHNKUIHZ-YRGVVPAESA-N 0 3 370.497 2.162 20 30 FEEDHN N#Cc1cncc(S(=O)(=O)N2CCCN(CC3CCCCC3)CC2)c1 ZINC000329798862 554008001 /nfs/dbraw/zinc/00/80/01/554008001.db2.gz XPXLVTXPUQWFDR-UHFFFAOYSA-N 0 3 362.499 2.230 20 30 FEEDHN O=C(Nc1cccc(CNC2CCS(=O)(=O)CC2)c1)[C@H]1CCCO1 ZINC000329800722 554008664 /nfs/dbraw/zinc/00/86/64/554008664.db2.gz IQJNDBGAWOGUTR-MRXNPFEDSA-N 0 3 352.456 2.120 20 30 FEEDHN CC(C)C(=O)N1CCC(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)CC1 ZINC000329808109 554009662 /nfs/dbraw/zinc/00/96/62/554009662.db2.gz BORVYBOUBHGNSN-HNNXBMFYSA-N 0 3 352.523 2.210 20 30 FEEDHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000329871156 554022375 /nfs/dbraw/zinc/02/23/75/554022375.db2.gz AMBFWJCDHDTCJJ-KURKYZTESA-N 0 3 359.518 2.421 20 30 FEEDHN C[C@@H](c1nccs1)N1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000329882209 554024122 /nfs/dbraw/zinc/02/41/22/554024122.db2.gz POUMEGVBWYFKDV-YCPHGPKFSA-N 0 3 363.531 2.218 20 30 FEEDHN CCN1C(=O)CC[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)[C@@H]1c1cnn(C)c1 ZINC000329884551 554024736 /nfs/dbraw/zinc/02/47/36/554024736.db2.gz SNZXBCQWAURDGP-KUZCPNRJSA-N 0 3 373.501 2.159 20 30 FEEDHN CC(=O)N[C@@H](C(=O)N1CCN(C2CCOCC2)C[C@H]1C)C1CCCC1 ZINC000329932520 554034360 /nfs/dbraw/zinc/03/43/60/554034360.db2.gz BBFCBMDQHIUFQL-RDTXWAMCSA-N 0 3 351.491 2.233 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000330030340 554052113 /nfs/dbraw/zinc/05/21/13/554052113.db2.gz RLOSVQCCVCRMEC-MRXNPFEDSA-N 0 3 374.533 2.440 20 30 FEEDHN Cc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1N1CCNC1=O ZINC000330196842 554083267 /nfs/dbraw/zinc/08/32/67/554083267.db2.gz QYVSROWOQSHVJV-PBHICJAKSA-N 0 3 357.458 2.301 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)cc1F ZINC000330198809 554083623 /nfs/dbraw/zinc/08/36/23/554083623.db2.gz UQDLQULOAAYOBS-HNNXBMFYSA-N 0 3 351.447 2.336 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(CC(=O)NC(=O)NC3CC3)CC2)C[C@H](C)O1 ZINC000330213154 554086390 /nfs/dbraw/zinc/08/63/90/554086390.db2.gz FCWMZOYWQWBPTM-GASCZTMLSA-N 0 3 366.506 2.231 20 30 FEEDHN C[C@H](CNC(=O)N1CCC[C@H](Oc2ncccc2F)C1)N(C)C1CC1 ZINC000330273852 554097285 /nfs/dbraw/zinc/09/72/85/554097285.db2.gz ZUYVWXMXKKELGY-HIFRSBDPSA-N 0 3 350.438 2.461 20 30 FEEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000330297890 554101714 /nfs/dbraw/zinc/10/17/14/554101714.db2.gz LERREQJLVNAPLT-VDZJLULYSA-N 0 3 361.490 2.236 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)c2cncc(Br)c2)CC1 ZINC000330372674 554112430 /nfs/dbraw/zinc/11/24/30/554112430.db2.gz KLLOTJAGWXMTNK-AWEZNQCLSA-N 0 3 356.264 2.242 20 30 FEEDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000330558953 554137830 /nfs/dbraw/zinc/13/78/30/554137830.db2.gz HBPQGCAEEAZUES-INIZCTEOSA-N 0 3 353.463 2.333 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2cccc(OCC(F)F)n2)C[C@H]1N(C)C ZINC000330922221 554189277 /nfs/dbraw/zinc/18/92/77/554189277.db2.gz RBJITWINUYOZEN-GHMZBOCLSA-N 0 3 360.430 2.248 20 30 FEEDHN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330952440 554193099 /nfs/dbraw/zinc/19/30/99/554193099.db2.gz FISRIOIXESNAOA-UHFFFAOYSA-N 0 3 371.503 2.265 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(C)(C)O)cc1 ZINC000331175559 554226007 /nfs/dbraw/zinc/22/60/07/554226007.db2.gz KZFWAQKZAZHFDM-IUODEOHRSA-N 0 3 365.455 2.140 20 30 FEEDHN Cc1cc(S(N)(=O)=O)cc(C(=O)NCCN2CCCC(C)(C)C2)c1C ZINC000331300952 554243845 /nfs/dbraw/zinc/24/38/45/554243845.db2.gz RDTVWDYGXFEAJT-UHFFFAOYSA-N 0 3 367.515 2.377 20 30 FEEDHN CS[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1N(C)C ZINC000331410732 554259948 /nfs/dbraw/zinc/25/99/48/554259948.db2.gz GGKLBZLDUNSFDK-OKZBNKHCSA-N 0 3 358.511 2.031 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000331891431 554340030 /nfs/dbraw/zinc/34/00/30/554340030.db2.gz OIMWEASLCCUNKQ-IBGZPJMESA-N 0 3 364.449 2.102 20 30 FEEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000331979106 554356463 /nfs/dbraw/zinc/35/64/63/554356463.db2.gz FBWJRKWBXWEQRK-RBUKOAKNSA-N 0 3 370.497 2.393 20 30 FEEDHN CN1CCC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000332307763 554421875 /nfs/dbraw/zinc/42/18/75/554421875.db2.gz IWTRIPNELFCUQT-UHFFFAOYSA-N 0 3 358.833 2.613 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@H]2CCCCN2Cc2ccccc2)C1=O ZINC000348456899 554685702 /nfs/dbraw/zinc/68/57/02/554685702.db2.gz CFGGMYVOGDIYMQ-QZTJIDSGSA-N 0 3 357.454 2.164 20 30 FEEDHN C=C(C)[C@@H](CC(=O)N1CCC(CCN2CCN(C)CC2)CC1)OCC ZINC000361192870 554909645 /nfs/dbraw/zinc/90/96/45/554909645.db2.gz XXHIJTSJBIKBON-LJQANCHMSA-N 0 3 351.535 2.234 20 30 FEEDHN C=CCn1c(C)cc(C(=O)CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000362701694 554981395 /nfs/dbraw/zinc/98/13/95/554981395.db2.gz JDWJUCAWSHJWFE-UWJYYQICSA-N 0 3 372.557 2.431 20 30 FEEDHN C#CC[C@@H](NC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1)c1ccccc1 ZINC000362729351 554984834 /nfs/dbraw/zinc/98/48/34/554984834.db2.gz XXMJWLMYTOGUIG-TZIWHRDSSA-N 0 3 368.525 2.420 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000362971805 555004333 /nfs/dbraw/zinc/00/43/33/555004333.db2.gz YXUDMVFURRREMY-MOPGFXCFSA-N 0 3 356.470 2.343 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000363206525 555053429 /nfs/dbraw/zinc/05/34/29/555053429.db2.gz LERMNKPAWMVGRI-UHFFFAOYSA-N 0 3 365.437 2.109 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C)CN3CCCCC3)C2)n1 ZINC000363426171 555102919 /nfs/dbraw/zinc/10/29/19/555102919.db2.gz LHBCOWBWPUVEMF-MJGOQNOKSA-N 0 3 369.513 2.469 20 30 FEEDHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCN1C ZINC000363716433 555170570 /nfs/dbraw/zinc/17/05/70/555170570.db2.gz RPILFCVJTAAFNF-DZGCQCFKSA-N 0 3 370.432 2.829 20 30 FEEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000363870998 555203136 /nfs/dbraw/zinc/20/31/36/555203136.db2.gz YYOGLUWFZBVQIR-QZTJIDSGSA-N 0 3 352.523 2.196 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000364147207 555258781 /nfs/dbraw/zinc/25/87/81/555258781.db2.gz TXMSEDGKILSLHI-OLZOCXBDSA-N 0 3 373.432 2.371 20 30 FEEDHN CCN1CCN(CCCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000512311136 561899802 /nfs/dbraw/zinc/89/98/02/561899802.db2.gz WGVNRJGBKZOXQE-UHFFFAOYSA-N 0 3 372.488 2.263 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccccc1OCC#N ZINC000364567249 555340530 /nfs/dbraw/zinc/34/05/30/555340530.db2.gz ZDODKZJDXZUHIH-NUJGCVRESA-N 0 3 357.454 2.208 20 30 FEEDHN C=CCN(C(=O)c1cncc(OC)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000365094182 555483942 /nfs/dbraw/zinc/48/39/42/555483942.db2.gz NCPVUYGOJDVVRQ-QGZVFWFLSA-N 0 3 352.438 2.388 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000365222025 555514761 /nfs/dbraw/zinc/51/47/61/555514761.db2.gz JQICTYHTJAYSKC-HOTGVXAUSA-N 0 3 364.490 2.080 20 30 FEEDHN CC(C)(CCC#N)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000513112934 561925884 /nfs/dbraw/zinc/92/58/84/561925884.db2.gz HMNCFNBFBVRWLY-RBUKOAKNSA-N 0 3 372.513 2.499 20 30 FEEDHN N#Cc1c(F)ccc(CN[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Cl ZINC000365482049 555587255 /nfs/dbraw/zinc/58/72/55/555587255.db2.gz UHGHVBWJUABDGW-LRDDRELGSA-N 0 3 372.849 2.177 20 30 FEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@H]2N2CCOCC2)c(C#N)c1C ZINC000365597952 555619102 /nfs/dbraw/zinc/61/91/02/555619102.db2.gz JJIBKGWLOXDMLY-BMGDILEWSA-N 0 3 374.485 2.328 20 30 FEEDHN CC(C)Cc1ccc([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)N(C)C)cc1 ZINC000513382251 561936228 /nfs/dbraw/zinc/93/62/28/561936228.db2.gz DVMAMPSZFARZCU-OALUTQOASA-N 0 3 358.486 2.422 20 30 FEEDHN CC(C)Cc1ccc([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)N(C)C)cc1 ZINC000513382253 561936317 /nfs/dbraw/zinc/93/63/17/561936317.db2.gz DVMAMPSZFARZCU-RTBURBONSA-N 0 3 358.486 2.422 20 30 FEEDHN N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000366206866 555782186 /nfs/dbraw/zinc/78/21/86/555782186.db2.gz ZIKCVVQQFXTQOO-FNAHDJPLSA-N 0 3 370.456 2.487 20 30 FEEDHN C[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000367436889 556048495 /nfs/dbraw/zinc/04/84/95/556048495.db2.gz TVVGIJAWFBRXHI-HOCLYGCPSA-N 0 3 372.904 2.322 20 30 FEEDHN N#Cc1cc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000368547144 556341797 /nfs/dbraw/zinc/34/17/97/556341797.db2.gz ZYXZAMLETIILLY-DLBZAZTESA-N 0 3 367.409 2.096 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000515468147 562011571 /nfs/dbraw/zinc/01/15/71/562011571.db2.gz KHWKFKAJWDZAPW-ZFWWWQNUSA-N 0 3 371.312 2.368 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)CC1 ZINC000368821024 556422320 /nfs/dbraw/zinc/42/23/20/556422320.db2.gz ADYRWRYPUDHPFS-VOTSOKGWSA-N 0 3 366.509 2.448 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000369079249 556499452 /nfs/dbraw/zinc/49/94/52/556499452.db2.gz SIYOXKKHQRJUJH-ZWKOTPCHSA-N 0 3 358.401 2.162 20 30 FEEDHN C=CCN(C(=O)Cn1ccccc1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000369080504 556499517 /nfs/dbraw/zinc/49/95/17/556499517.db2.gz FZOFEPWGZMIOPB-LJQANCHMSA-N 0 3 351.450 2.137 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCN(C(=O)CCC)CC2)CC1 ZINC000369085289 556501082 /nfs/dbraw/zinc/50/10/82/556501082.db2.gz RVHXQDZTBSZRGW-UHFFFAOYSA-N 0 3 350.507 2.071 20 30 FEEDHN N#Cc1ccc(OCC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000369165018 556523079 /nfs/dbraw/zinc/52/30/79/556523079.db2.gz RQMCNWMDECHBSH-LJQANCHMSA-N 0 3 364.449 2.360 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000369289644 556565779 /nfs/dbraw/zinc/56/57/79/556565779.db2.gz CCBBXVHQZFNQRF-SJORKVTESA-N 0 3 363.396 2.170 20 30 FEEDHN C=CCN(C(=O)c1cccn(C)c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000369308572 556570751 /nfs/dbraw/zinc/57/07/51/556570751.db2.gz ULJZKHYWTUCXGL-SFHVURJKSA-N 0 3 351.450 2.288 20 30 FEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000516207622 562036194 /nfs/dbraw/zinc/03/61/94/562036194.db2.gz HCGSDSUCOKUXKW-OAHLLOKOSA-N 0 3 365.437 2.111 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000369690742 556669681 /nfs/dbraw/zinc/66/96/81/556669681.db2.gz FBPJYMRBJISPID-UHFFFAOYSA-N 0 3 357.458 3.005 20 30 FEEDHN CCOC(=O)c1cccc(OC[C@@H](O)CNCc2ccc(C#N)c(F)c2)c1 ZINC000516965571 562068144 /nfs/dbraw/zinc/06/81/44/562068144.db2.gz BTGIEGPLHOJCDF-KRWDZBQOSA-N 0 3 372.396 2.404 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000371088646 557071417 /nfs/dbraw/zinc/07/14/17/557071417.db2.gz QZJHXEBACFNXFD-GOSISDBHSA-N 0 3 356.470 2.434 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCc2nc3ccccc3oc2=O)CC1 ZINC000517304074 562084689 /nfs/dbraw/zinc/08/46/89/562084689.db2.gz CEUJTJRVCDXLGK-UHFFFAOYSA-N 0 3 355.438 2.277 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)CC1CCCC1 ZINC000517566115 562092599 /nfs/dbraw/zinc/09/25/99/562092599.db2.gz PNDOLHSZBBHHJO-UHFFFAOYSA-N 0 3 370.497 2.145 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](C3CC3)C2)CC1 ZINC000371474074 557192352 /nfs/dbraw/zinc/19/23/52/557192352.db2.gz VSZWSIJBMPRSQP-IAGOWNOFSA-N 0 3 358.511 2.189 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000517651103 562094715 /nfs/dbraw/zinc/09/47/15/562094715.db2.gz VZQMALYITWYZQA-HNNXBMFYSA-N 0 3 365.437 2.111 20 30 FEEDHN N#Cc1ccc(OCCNC(=O)N2CCc3ccccc3[C@@H]2CN)cc1 ZINC000517738254 562096768 /nfs/dbraw/zinc/09/67/68/562096768.db2.gz IAUAYFKCGHDNST-IBGZPJMESA-N 0 3 350.422 2.205 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCCCC3)C2)ccc1F ZINC000371872886 557316259 /nfs/dbraw/zinc/31/62/59/557316259.db2.gz OXSURGZGHDCOSN-MRXNPFEDSA-N 0 3 358.417 2.113 20 30 FEEDHN CN(C1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccccc1C#N ZINC000372164679 557397129 /nfs/dbraw/zinc/39/71/29/557397129.db2.gz XDDVRIWSDPFARZ-UHFFFAOYSA-N 0 3 356.451 2.243 20 30 FEEDHN Cc1ncc(S(=O)(=O)N[C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1C#N ZINC000518871988 562120028 /nfs/dbraw/zinc/12/00/28/562120028.db2.gz BVEBSUIICGFMTK-GJZGRUSLSA-N 0 3 362.499 2.193 20 30 FEEDHN Cc1cc(NC(=O)N2C[C@H]3CCCN3C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000372373118 557453371 /nfs/dbraw/zinc/45/33/71/557453371.db2.gz BLXBOIHOKCYKAW-CRAIPNDOSA-N 0 3 364.453 2.753 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H]4CCCCCC[C@@H]43)CC2)o1 ZINC000372585781 557513269 /nfs/dbraw/zinc/51/32/69/557513269.db2.gz JVGFXTKFGRXRBD-AEFFLSMTSA-N 0 3 371.485 2.158 20 30 FEEDHN Cn1cc(C#N)cc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373433201 557692155 /nfs/dbraw/zinc/69/21/55/557692155.db2.gz XYDYOVCINANEJH-UHFFFAOYSA-N 0 3 354.376 2.432 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](NCc3ccccc3)C2)c1 ZINC000373652233 557732080 /nfs/dbraw/zinc/73/20/80/557732080.db2.gz ICEHEGBBRIPNLS-LJQANCHMSA-N 0 3 362.433 2.278 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1CN(C)C ZINC000520496541 562157617 /nfs/dbraw/zinc/15/76/17/562157617.db2.gz RULUWSQMWLVWKS-KRWDZBQOSA-N 0 3 368.485 2.093 20 30 FEEDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc(C#N)c(OC)c4)C[C@@H]3C2)no1 ZINC000374204217 557843132 /nfs/dbraw/zinc/84/31/32/557843132.db2.gz IEPNRGFNRUSKBZ-IAGOWNOFSA-N 0 3 367.453 2.076 20 30 FEEDHN COc1ccc(CN[C@@H]2CCN(c3cnn(C)c3)C2)cc1OCCCC#N ZINC000374246843 557850082 /nfs/dbraw/zinc/85/00/82/557850082.db2.gz BTWQYWMWGNAXKN-QGZVFWFLSA-N 0 3 369.469 2.480 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000374284532 557857971 /nfs/dbraw/zinc/85/79/71/557857971.db2.gz AFKOZQBQUHCSJI-MJGOQNOKSA-N 0 3 357.498 2.349 20 30 FEEDHN COc1cccc2c1C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C2 ZINC000521031294 562168010 /nfs/dbraw/zinc/16/80/10/562168010.db2.gz ZFORKVROARQJDX-INIZCTEOSA-N 0 3 356.447 2.098 20 30 FEEDHN C=C(C)CN(CC)C(=O)CN(C)C1CCN(CCc2ccncc2)CC1 ZINC000375016495 557964396 /nfs/dbraw/zinc/96/43/96/557964396.db2.gz YJFANRMGZIFFBC-UHFFFAOYSA-N 0 3 358.530 2.445 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000375275038 558002805 /nfs/dbraw/zinc/00/28/05/558002805.db2.gz BZJPLJAWRHTQJK-RXVVDRJESA-N 0 3 368.481 2.197 20 30 FEEDHN C#CCSCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000376097337 558126647 /nfs/dbraw/zinc/12/66/47/558126647.db2.gz PXVGLCUKEVZBHJ-UHFFFAOYSA-N 0 3 363.449 2.457 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C)CC1 ZINC000376297264 558153908 /nfs/dbraw/zinc/15/39/08/558153908.db2.gz YHWUWLGRJXTFLO-IBGZPJMESA-N 0 3 370.497 2.218 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000376578929 558193263 /nfs/dbraw/zinc/19/32/63/558193263.db2.gz DOESJULNPRESID-HOTGVXAUSA-N 0 3 357.502 2.265 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000376704668 558211283 /nfs/dbraw/zinc/21/12/83/558211283.db2.gz KXUWRNPFYARDHM-HNNXBMFYSA-N 0 3 359.474 2.486 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000521847660 562184665 /nfs/dbraw/zinc/18/46/65/562184665.db2.gz VJYRSPZTOAPCRW-UHFFFAOYSA-N 0 3 355.398 2.009 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000377211338 558289659 /nfs/dbraw/zinc/28/96/59/558289659.db2.gz CSRXJRUBEBMTBU-NJDAHSKKSA-N 0 3 369.509 2.252 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCc1cccc(OCCN(C)C)c1 ZINC000522279512 562196091 /nfs/dbraw/zinc/19/60/91/562196091.db2.gz NDIIDROOFDJRRO-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN CN1CC[C@H](NCC(=O)NC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377676742 558393977 /nfs/dbraw/zinc/39/39/77/558393977.db2.gz QDDQQXHWQDUROT-RDJZCZTQSA-N 0 3 364.852 2.376 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 ZINC000378118215 558485111 /nfs/dbraw/zinc/48/51/11/558485111.db2.gz ZEQWCEAXSJNWHV-HXUWFJFHSA-N 0 3 354.498 2.118 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000378308723 558525709 /nfs/dbraw/zinc/52/57/09/558525709.db2.gz NRHKXJYWYDPFEN-VQIMIIECSA-N 0 3 355.486 2.242 20 30 FEEDHN C=CCN(C(=O)[C@H](O)c1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000378318449 558528710 /nfs/dbraw/zinc/52/87/10/558528710.db2.gz UVRUCSWRMWCVEJ-VQTJNVASSA-N 0 3 351.450 2.404 20 30 FEEDHN C#CCOc1ccc(CN2C[C@@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)cc1 ZINC000378354144 558537102 /nfs/dbraw/zinc/53/71/02/558537102.db2.gz YYRQJSJYXMRJSH-QZTJIDSGSA-N 0 3 366.465 2.208 20 30 FEEDHN Cc1nc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000397644475 558624733 /nfs/dbraw/zinc/62/47/33/558624733.db2.gz UMHCZJKKJXPPFL-UHFFFAOYSA-N 0 3 364.449 2.019 20 30 FEEDHN CC(C)OC[C@H](CO)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411635446 558933245 /nfs/dbraw/zinc/93/32/45/558933245.db2.gz NFVYMOLGEQIBFL-ZDUSSCGKSA-N 0 3 365.499 2.155 20 30 FEEDHN N#CC(C(=O)c1cccc(C(=O)NC2CC2)c1)c1nnc2n1CCCCC2 ZINC000525890630 562258687 /nfs/dbraw/zinc/25/86/87/562258687.db2.gz UUIKPXJNRZWNPM-MRXNPFEDSA-N 0 3 363.421 2.387 20 30 FEEDHN C[C@H]1CN(c2cc(C(F)(F)F)cnc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000413217145 559089211 /nfs/dbraw/zinc/08/92/11/559089211.db2.gz XQJYCUKJRREUTA-XJKSGUPXSA-N 0 3 367.419 2.434 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000413311911 559097977 /nfs/dbraw/zinc/09/79/77/559097977.db2.gz JICPUAQHFGASAZ-UYAOXDASSA-N 0 3 358.530 2.357 20 30 FEEDHN C=CCc1cc(CN2CCC[C@H](n3cc(CN)nn3)C2)cc(OC)c1O ZINC000415129712 559207040 /nfs/dbraw/zinc/20/70/40/559207040.db2.gz PMFPVFYPAVMRAI-KRWDZBQOSA-N 0 3 357.458 2.017 20 30 FEEDHN CN(CCC1CCN(c2ccncc2)CC1)CC(=O)NC1(C#N)CCC1 ZINC000527128593 562277265 /nfs/dbraw/zinc/27/72/65/562277265.db2.gz CVCYMSBQEWFWCC-UHFFFAOYSA-N 0 3 355.486 2.182 20 30 FEEDHN Cc1nc(NC(=O)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)ccc1C#N ZINC000415375859 559228737 /nfs/dbraw/zinc/22/87/37/559228737.db2.gz AYPJEGMGFCRZLF-QGZVFWFLSA-N 0 3 365.437 2.140 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000527161091 562278496 /nfs/dbraw/zinc/27/84/96/562278496.db2.gz LFCALLTVLHWGQQ-QZTJIDSGSA-N 0 3 374.448 2.184 20 30 FEEDHN N#Cc1ccc(CN2CCN(C(=O)NC[C@@H](N)c3ccccc3)CC2)cc1 ZINC000418451662 559402134 /nfs/dbraw/zinc/40/21/34/559402134.db2.gz NAYDKERNTZSCCH-HXUWFJFHSA-N 0 3 363.465 2.085 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000419057651 559426547 /nfs/dbraw/zinc/42/65/47/559426547.db2.gz OOKOXHFOCKATEB-FQEVSTJZSA-N 0 3 363.461 2.210 20 30 FEEDHN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000420417166 559486663 /nfs/dbraw/zinc/48/66/63/559486663.db2.gz DKUZTNBQLGOLPG-UHFFFAOYSA-N 0 3 360.277 2.117 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(N)=O)cc2OC(C)C)CC1 ZINC000421150503 559526863 /nfs/dbraw/zinc/52/68/63/559526863.db2.gz FEBLWWUEQWMMJR-UHFFFAOYSA-N 0 3 360.458 2.345 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c(C#N)cn1CC ZINC000421189383 559530060 /nfs/dbraw/zinc/53/00/60/559530060.db2.gz ZYJKWTLRFCLSDP-IBGZPJMESA-N 0 3 373.457 2.116 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000421292472 559536400 /nfs/dbraw/zinc/53/64/00/559536400.db2.gz BEKPNSDMPUBPMP-LSDHHAIUSA-N 0 3 374.510 2.429 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000422520717 559592622 /nfs/dbraw/zinc/59/26/22/559592622.db2.gz CFUDUZUABCQCOR-VQTJNVASSA-N 0 3 369.509 2.377 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424066416 559653478 /nfs/dbraw/zinc/65/34/78/559653478.db2.gz NGUCDCHAXCSIBC-LLVKDONJSA-N 0 3 373.335 2.163 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000424101007 559654709 /nfs/dbraw/zinc/65/47/09/559654709.db2.gz IUVGAYFMLPADMA-INIZCTEOSA-N 0 3 362.861 2.036 20 30 FEEDHN CCOc1ccc(C2(CNC(=O)[C@@H](N)CCCC#N)CCOCC2)cc1 ZINC000424101197 559654793 /nfs/dbraw/zinc/65/47/93/559654793.db2.gz JECRLIKPEFIZSL-SFHVURJKSA-N 0 3 359.470 2.271 20 30 FEEDHN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424114815 559655346 /nfs/dbraw/zinc/65/53/46/559655346.db2.gz SFIYQKGKTFXEFA-HNNXBMFYSA-N 0 3 360.483 2.144 20 30 FEEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1Br ZINC000424135675 559655752 /nfs/dbraw/zinc/65/57/52/559655752.db2.gz ZQNZVMJYSDJUKK-YPMHNXCESA-N 0 3 354.248 2.354 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000424179872 559656935 /nfs/dbraw/zinc/65/69/35/559656935.db2.gz ZUOCTTBFPIWHOS-ZDUSSCGKSA-N 0 3 351.332 2.851 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000424500598 559667674 /nfs/dbraw/zinc/66/76/74/559667674.db2.gz JTKXZZMARBEFDB-RWQQGDIJSA-N 0 3 350.503 2.315 20 30 FEEDHN C=CCCn1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)nn1 ZINC000424610104 559671138 /nfs/dbraw/zinc/67/11/38/559671138.db2.gz BNDOWUIKMIDYHM-UHFFFAOYSA-N 0 3 363.412 2.336 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2nocc2C(=O)OC)CC1 ZINC000425664413 559713649 /nfs/dbraw/zinc/71/36/49/559713649.db2.gz OTWNLUMHCDRWHG-UHFFFAOYSA-N 0 3 364.446 2.036 20 30 FEEDHN C=C(C)[C@@H](CC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)OCC ZINC000428974350 559787092 /nfs/dbraw/zinc/78/70/92/559787092.db2.gz FGAAKKFVOVWHTM-TZIWHRDSSA-N 0 3 360.498 2.453 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccncc2)cc1 ZINC000429929142 559808969 /nfs/dbraw/zinc/80/89/69/559808969.db2.gz SNCILLKESHCZHM-CYBMUJFWSA-N 0 3 358.423 2.431 20 30 FEEDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433013431 559869926 /nfs/dbraw/zinc/86/99/26/559869926.db2.gz NYFNWZWQAPLLEI-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433348242 559877801 /nfs/dbraw/zinc/87/78/01/559877801.db2.gz TYZGQQWRNAADNL-NSHDSACASA-N 0 3 374.304 2.329 20 30 FEEDHN COCCN1CCC(NC(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC1 ZINC000436482285 559942819 /nfs/dbraw/zinc/94/28/19/559942819.db2.gz ADIPZVWCDYFNNG-UHFFFAOYSA-N 0 3 359.474 2.165 20 30 FEEDHN N#Cc1ccc(NC(=O)NCC2CCN(CCO)CC2)cc1C(F)(F)F ZINC000438647837 559981866 /nfs/dbraw/zinc/98/18/66/559981866.db2.gz JLJHDURDFYNYDI-UHFFFAOYSA-N 0 3 370.375 2.403 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000439455549 559994323 /nfs/dbraw/zinc/99/43/23/559994323.db2.gz VGCDYBQVZUBHHS-MRXNPFEDSA-N 0 3 372.469 2.132 20 30 FEEDHN Cc1csc(C(C#N)C(=O)c2cc3c(nc4ccccn4c3=O)n2C)n1 ZINC000439693280 559998895 /nfs/dbraw/zinc/99/88/95/559998895.db2.gz FZYBZWDTGOUKBP-GFCCVEGCSA-N 0 3 363.402 2.441 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000442144985 560044909 /nfs/dbraw/zinc/04/49/09/560044909.db2.gz YWDXKCHEMUHMTB-QLFBSQMISA-N 0 3 374.510 2.476 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448883349 560204789 /nfs/dbraw/zinc/20/47/89/560204789.db2.gz QPQUJDGVJQFUKI-GOEBONIOSA-N 0 3 374.872 2.117 20 30 FEEDHN CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448885523 560204908 /nfs/dbraw/zinc/20/49/08/560204908.db2.gz XARLXQBQRDSSFY-HOCLYGCPSA-N 0 3 374.872 2.117 20 30 FEEDHN CN(C(=O)COc1cccc(Br)c1C#N)C1CCN(C)CC1 ZINC000449041696 560213907 /nfs/dbraw/zinc/21/39/07/560213907.db2.gz NUBGWEHGQYKNTF-UHFFFAOYSA-N 0 3 366.259 2.252 20 30 FEEDHN CCN1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449183874 560219152 /nfs/dbraw/zinc/21/91/52/560219152.db2.gz LPMDDDDWNDHEJE-UHFFFAOYSA-N 0 3 366.259 2.300 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000449833938 560241797 /nfs/dbraw/zinc/24/17/97/560241797.db2.gz JDJPXFFMZDGWSA-LBPRGKRZSA-N 0 3 366.259 2.252 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCN1C ZINC000449943190 560245898 /nfs/dbraw/zinc/24/58/98/560245898.db2.gz YHBQHRIBCFXCRC-AAEUAGOBSA-N 0 3 366.259 2.298 20 30 FEEDHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCN1C ZINC000450559069 560266160 /nfs/dbraw/zinc/26/61/60/560266160.db2.gz XJUKLYHBRHYKMI-MRRJBJDNSA-N 0 3 374.872 2.163 20 30 FEEDHN N#Cc1ccc(C(F)(F)F)c(N2CCN([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000450895048 560277246 /nfs/dbraw/zinc/27/72/46/560277246.db2.gz WPLKLTNPKNCXAZ-AWEZNQCLSA-N 0 3 366.387 2.368 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451238806 560295005 /nfs/dbraw/zinc/29/50/05/560295005.db2.gz DXPDJKIYTBXUEY-DOMZBBRYSA-N 0 3 355.891 2.367 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000451601575 560316803 /nfs/dbraw/zinc/31/68/03/560316803.db2.gz ASIDGAHUYCIWFY-CABCVRRESA-N 0 3 358.360 2.134 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000451603472 560316807 /nfs/dbraw/zinc/31/68/07/560316807.db2.gz CPKUMCQTNZIMJR-CABCVRRESA-N 0 3 358.360 2.177 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000451608815 560317351 /nfs/dbraw/zinc/31/73/51/560317351.db2.gz UGJQIEVFKYVBNM-KURKYZTESA-N 0 3 360.454 2.300 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000451706004 560323556 /nfs/dbraw/zinc/32/35/56/560323556.db2.gz JFOKBTBWXOAHKZ-GHTZIAJQSA-N 0 3 356.514 2.495 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000451996051 560343740 /nfs/dbraw/zinc/34/37/40/560343740.db2.gz PBYPZIIMWGKZII-YTQUADARSA-N 0 3 356.466 2.464 20 30 FEEDHN CC(C)(CN1CCCC1)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000452091930 560350770 /nfs/dbraw/zinc/35/07/70/560350770.db2.gz CIXTZNXYDHYWRG-UHFFFAOYSA-N 0 3 366.469 2.146 20 30 FEEDHN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000453415273 560386092 /nfs/dbraw/zinc/38/60/92/560386092.db2.gz RJUCUJZLLQLYLF-UHFFFAOYSA-N 0 3 372.521 2.126 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453608146 560390958 /nfs/dbraw/zinc/39/09/58/560390958.db2.gz OQDQVAAIXZORJJ-CYBMUJFWSA-N 0 3 362.861 2.193 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453613684 560391380 /nfs/dbraw/zinc/39/13/80/560391380.db2.gz NUJKAAMYSJLPHN-XHSDSOJGSA-N 0 3 356.470 2.174 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000453629499 560391991 /nfs/dbraw/zinc/39/19/91/560391991.db2.gz XXGMJKYPUDLQEM-OAHLLOKOSA-N 0 3 356.470 2.318 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCCC3=O)CC1 ZINC000453650486 560393490 /nfs/dbraw/zinc/39/34/90/560393490.db2.gz ZYVQGIJEALGWCF-UHFFFAOYSA-N 0 3 369.465 2.301 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453656393 560393905 /nfs/dbraw/zinc/39/39/05/560393905.db2.gz LIGRVOFDSNCQHU-UHFFFAOYSA-N 0 3 360.845 2.111 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453665637 560394815 /nfs/dbraw/zinc/39/48/15/560394815.db2.gz GUBHGGTYIYCGMR-WBMJQRKESA-N 0 3 362.861 2.189 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000453704979 560398189 /nfs/dbraw/zinc/39/81/89/560398189.db2.gz GBNVKPMVQYFRAK-GOSISDBHSA-N 0 3 354.454 2.282 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1C#N ZINC000454103532 560429494 /nfs/dbraw/zinc/42/94/94/560429494.db2.gz PMKNXHDSZVPTCG-QGZVFWFLSA-N 0 3 372.469 2.225 20 30 FEEDHN CCN1CCN(CCCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000454713094 560455434 /nfs/dbraw/zinc/45/54/34/560455434.db2.gz KZYQZHOHMDNUIX-UHFFFAOYSA-N 0 3 356.514 2.271 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(I)cn2)CC1 ZINC000455492537 560484402 /nfs/dbraw/zinc/48/44/02/560484402.db2.gz WNCFCQKEWNXZBO-UHFFFAOYSA-N 0 3 371.222 2.066 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000457481999 560569866 /nfs/dbraw/zinc/56/98/66/560569866.db2.gz KTYUAUNOASSDJC-QYZOEREBSA-N 0 3 359.470 2.475 20 30 FEEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000459318977 560679547 /nfs/dbraw/zinc/67/95/47/560679547.db2.gz ZZSYBFJCBBPGMW-HNNXBMFYSA-N 0 3 354.458 2.126 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc3oc(=O)n(C)c3cc2F)CC1 ZINC000459695208 560702569 /nfs/dbraw/zinc/70/25/69/560702569.db2.gz OQSWEEBDVZUTBU-UHFFFAOYSA-N 0 3 362.405 2.433 20 30 FEEDHN C=CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000460059347 560732240 /nfs/dbraw/zinc/73/22/40/560732240.db2.gz JSEXEQZTSCBUPG-UHFFFAOYSA-N 0 3 371.403 2.240 20 30 FEEDHN CCCN(CCN1CCN(CC)CC1)C(=O)NCc1cccc(C#N)c1 ZINC000460169072 560736950 /nfs/dbraw/zinc/73/69/50/560736950.db2.gz KMLINATUFDTLRO-UHFFFAOYSA-N 0 3 357.502 2.117 20 30 FEEDHN C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460804419 560752278 /nfs/dbraw/zinc/75/22/78/560752278.db2.gz PWWCVZACNOMMHW-QGZVFWFLSA-N 0 3 374.533 2.446 20 30 FEEDHN N#CC(C(=O)Nc1ccc(-c2ncon2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000461813874 560784912 /nfs/dbraw/zinc/78/49/12/560784912.db2.gz XOJCCKQYKAEWSN-ZDUSSCGKSA-N 0 3 350.294 2.286 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000461962761 560789836 /nfs/dbraw/zinc/78/98/36/560789836.db2.gz GZCVCUOPCKTHSC-PXNSSMCTSA-N 0 3 369.513 2.316 20 30 FEEDHN CN(CCNC(=O)C1CCN(C(=O)CCCC#N)CC1)Cc1ccccc1 ZINC000462156633 560799386 /nfs/dbraw/zinc/79/93/86/560799386.db2.gz PYMGCGRUGCJFQN-UHFFFAOYSA-N 0 3 370.497 2.167 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000465860182 560874188 /nfs/dbraw/zinc/87/41/88/560874188.db2.gz NARQSBWEABTCFV-CQSZACIVSA-N 0 3 365.478 2.349 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCN1C ZINC000466040745 560878816 /nfs/dbraw/zinc/87/88/16/560878816.db2.gz VFURQYKZUALQMQ-GDBMZVCRSA-N 0 3 359.449 2.012 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000466815844 560896482 /nfs/dbraw/zinc/89/64/82/560896482.db2.gz NAGVWJDUWJHGCO-UHFFFAOYSA-N 0 3 365.437 2.036 20 30 FEEDHN CCN(CCO)CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000470593363 560985264 /nfs/dbraw/zinc/98/52/64/560985264.db2.gz YOMONFWGCXNSJP-UHFFFAOYSA-N 0 3 352.438 2.346 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCc3n[nH]nc3C1)CCCCC2 ZINC000472776700 561035065 /nfs/dbraw/zinc/03/50/65/561035065.db2.gz XLSSYTPNCSUATF-UHFFFAOYSA-N 0 3 370.482 2.394 20 30 FEEDHN Cn1ncc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1C#N ZINC000476240020 561114283 /nfs/dbraw/zinc/11/42/83/561114283.db2.gz RXZMLHBBMUSOIK-OAQYLSRUSA-N 0 3 363.465 2.420 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@]2(CCCOC2)C1 ZINC000528400454 562327088 /nfs/dbraw/zinc/32/70/88/562327088.db2.gz OPORSRVWCZLBEE-OAQYLSRUSA-N 0 3 352.434 2.179 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000528438811 562329319 /nfs/dbraw/zinc/32/93/19/562329319.db2.gz NFFYUHXHLIQMKY-ICSRJNTNSA-N 0 3 356.397 2.031 20 30 FEEDHN COCCc1noc(CC2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000528618159 562338567 /nfs/dbraw/zinc/33/85/67/562338567.db2.gz HWWQUWQKUNABSK-GOSISDBHSA-N 0 3 370.453 2.118 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C)(N2CCOCC2)CC1 ZINC000528728081 562344383 /nfs/dbraw/zinc/34/43/83/562344383.db2.gz LIPVSGLGHODKEC-MRXNPFEDSA-N 0 3 356.470 2.072 20 30 FEEDHN COCc1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1C#N ZINC000529206866 562364761 /nfs/dbraw/zinc/36/47/61/562364761.db2.gz YNJJSJFANUXQJI-OAHLLOKOSA-N 0 3 372.469 2.422 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529719713 562382526 /nfs/dbraw/zinc/38/25/26/562382526.db2.gz OZHATUWEEWSBIH-QGZVFWFLSA-N 0 3 357.454 2.469 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCN3C3CCCC3)cc2C1=O ZINC000530026664 562395056 /nfs/dbraw/zinc/39/50/56/562395056.db2.gz NDNXBLDCHISIER-INIZCTEOSA-N 0 3 367.449 2.215 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000532067626 562465814 /nfs/dbraw/zinc/46/58/14/562465814.db2.gz QMKBURSUUXXMNR-RDTXWAMCSA-N 0 3 371.460 2.012 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(Nc3ccccn3)CC2)cc1 ZINC000534861742 562544059 /nfs/dbraw/zinc/54/40/59/562544059.db2.gz VPYVYGNFGOCEFD-SFHVURJKSA-N 0 3 352.438 2.269 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000601759580 567829370 /nfs/dbraw/zinc/82/93/70/567829370.db2.gz NFBAODQNAQNRRM-ZIAGYGMSSA-N 0 3 351.332 2.270 20 30 FEEDHN N#CCCN1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000602224087 567957123 /nfs/dbraw/zinc/95/71/23/567957123.db2.gz CUCIYGBBDPHWCF-INIZCTEOSA-N 0 3 361.515 2.126 20 30 FEEDHN C[C@H](CCC#N)CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000602469600 567980431 /nfs/dbraw/zinc/98/04/31/567980431.db2.gz VCHCDSFUSNTNIF-GFCCVEGCSA-N 0 3 355.426 2.215 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000602513130 567989474 /nfs/dbraw/zinc/98/94/74/567989474.db2.gz CUYGQDFSKIRBRG-QGZVFWFLSA-N 0 3 357.502 2.022 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1CS(C)(=O)=O ZINC000602562114 567991767 /nfs/dbraw/zinc/99/17/67/567991767.db2.gz HLBOGRCRDIFDFK-OAHLLOKOSA-N 0 3 350.484 2.420 20 30 FEEDHN N#CCCN(C(=O)CN[C@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccccc1 ZINC000602894579 568013835 /nfs/dbraw/zinc/01/38/35/568013835.db2.gz XXQGLQXGEQSDLE-AZUAARDMSA-N 0 3 371.481 2.233 20 30 FEEDHN COc1ccc(N2C[C@H](N[C@@H](C)CC3(C#N)CCOCC3)CC2=O)cc1 ZINC000602709899 568018725 /nfs/dbraw/zinc/01/87/25/568018725.db2.gz JPPZFKBYMPPMDM-JKSUJKDBSA-N 0 3 357.454 2.489 20 30 FEEDHN CCN(CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 ZINC000568492478 568043415 /nfs/dbraw/zinc/04/34/15/568043415.db2.gz PXZVFAPRHWRDQQ-UHFFFAOYSA-N 0 3 362.499 2.456 20 30 FEEDHN CC(C)c1nc(CC2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000602862558 568049805 /nfs/dbraw/zinc/04/98/05/568049805.db2.gz KBWJMPBKSZXWKG-IBGZPJMESA-N 0 3 360.506 2.237 20 30 FEEDHN CC(C)c1nnc(CC2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000602862558 568049807 /nfs/dbraw/zinc/04/98/07/568049807.db2.gz KBWJMPBKSZXWKG-IBGZPJMESA-N 0 3 360.506 2.237 20 30 FEEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CNC2(CO)CCOCC2)c1C#N ZINC000609488198 568361679 /nfs/dbraw/zinc/36/16/79/568361679.db2.gz MRVALWQSZCQGTI-UHFFFAOYSA-N 0 3 374.485 2.161 20 30 FEEDHN Cc1nsc(N2CCN(C(=O)Nc3cc(C)cc(CN)c3)CC2)c1C#N ZINC000569567903 568408080 /nfs/dbraw/zinc/40/80/80/568408080.db2.gz PYLGDRPMLUZIJG-UHFFFAOYSA-N 0 3 370.482 2.444 20 30 FEEDHN CSC1(CNS(=O)(=O)CC2(C#N)CCCCC2)CCN(C)CC1 ZINC000558483180 674499374 /nfs/dbraw/zinc/49/93/74/674499374.db2.gz CRLBHCDNYLWSIR-UHFFFAOYSA-N 0 3 359.561 2.207 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584693 608490761 /nfs/dbraw/zinc/49/07/61/608490761.db2.gz DYRDDVFRWYHIII-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584693 608490763 /nfs/dbraw/zinc/49/07/63/608490763.db2.gz DYRDDVFRWYHIII-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000815083268 674914510 /nfs/dbraw/zinc/91/45/10/674914510.db2.gz VBOZAENKIZNTSP-XYOKQWHBSA-N 0 3 371.300 2.294 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCNC(=O)CC1 ZINC000815908660 674983879 /nfs/dbraw/zinc/98/38/79/674983879.db2.gz HCQFMMWPMTUNOR-GXSJLCMTSA-N 0 3 351.765 2.043 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO ZINC000564898034 675073151 /nfs/dbraw/zinc/07/31/51/675073151.db2.gz DHNJNMVBFMXRAD-CQSZACIVSA-N 0 3 361.833 2.155 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000077647473 670570622 /nfs/dbraw/zinc/57/06/22/670570622.db2.gz KPZMFLKXUVWXQP-OAHLLOKOSA-N 0 3 355.265 2.488 20 30 FEEDHN COc1cc(Br)ccc1[C@H](C)NC[C@H](O)CN(C)CCC#N ZINC000566124972 675183996 /nfs/dbraw/zinc/18/39/96/675183996.db2.gz MCSOLCRJZGKAGN-JSGCOSHPSA-N 0 3 370.291 2.315 20 30 FEEDHN CC[C@@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1 ZINC000583170238 672069736 /nfs/dbraw/zinc/06/97/36/672069736.db2.gz QFXGQEJZLWYBQD-ZWKOTPCHSA-N 0 3 364.515 2.260 20 30 FEEDHN C=CCN1CCC(NC(=O)C2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC000171716624 672335093 /nfs/dbraw/zinc/33/50/93/672335093.db2.gz LOAPQOAUSJZEQO-UHFFFAOYSA-N 0 3 351.491 2.258 20 30 FEEDHN CC(C)(C)c1ccc(S(=O)(=O)CCNC2CCN(CC#N)CC2)cc1 ZINC000591736266 672706687 /nfs/dbraw/zinc/70/66/87/672706687.db2.gz MRDPZXQQNGKIGU-UHFFFAOYSA-N 0 3 363.527 2.335 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000592291664 672782154 /nfs/dbraw/zinc/78/21/54/672782154.db2.gz DDUXZUVVPOHNNB-UHFFFAOYSA-N 0 3 350.507 2.119 20 30 FEEDHN CN(C)C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)c2ccccc2O1 ZINC000612678448 676093225 /nfs/dbraw/zinc/09/32/25/676093225.db2.gz IPESPUICUJUZDH-OAHLLOKOSA-N 0 3 363.483 2.229 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccc1Cl ZINC000594325122 673058820 /nfs/dbraw/zinc/05/88/20/673058820.db2.gz BGXIHOCSKAIWIJ-HOTGVXAUSA-N 0 3 360.845 2.283 20 30 FEEDHN CN(C(=O)[C@H](N)CCCCC#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000594433921 673071269 /nfs/dbraw/zinc/07/12/69/673071269.db2.gz IWXSQVQTKSEZLQ-ZBFHGGJFSA-N 0 3 362.861 2.315 20 30 FEEDHN O=C(N[C@H]1CCS(=O)(=O)C1)[C@]12CCC[C@@H]1CN(Cc1ccccc1)C2 ZINC000329183692 673073321 /nfs/dbraw/zinc/07/33/21/673073321.db2.gz FQRYVCXSPLXZBV-AOIWGVFYSA-N 0 3 362.495 2.432 20 30 FEEDHN N#CC1(c2ccc(CNCCNS(=O)(=O)c3cccs3)cc2)CC1 ZINC000594961422 673181154 /nfs/dbraw/zinc/18/11/54/673181154.db2.gz ZOKCXGMQMGGROW-UHFFFAOYSA-N 0 3 361.492 2.371 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000595256913 673214388 /nfs/dbraw/zinc/21/43/88/673214388.db2.gz FFZQOBBNHICSQA-LSDHHAIUSA-N 0 3 366.259 2.370 20 30 FEEDHN N#CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2s1 ZINC000730110950 673262570 /nfs/dbraw/zinc/26/25/70/673262570.db2.gz ZQBAGDCHURCDPQ-GFCCVEGCSA-N 0 3 372.431 2.190 20 30 FEEDHN CN(C[C@@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1)S(C)(=O)=O ZINC000597126746 673450070 /nfs/dbraw/zinc/45/00/70/673450070.db2.gz CHTQHKLNOHRMBS-KRWDZBQOSA-N 0 3 361.511 2.345 20 30 FEEDHN CCN(CC(=O)C(C#N)C(=O)NC1CCCCC1)C(=O)OC(C)(C)C ZINC000734705944 673470288 /nfs/dbraw/zinc/47/02/88/673470288.db2.gz WPOWFFPAYROEOU-CQSZACIVSA-N 0 3 351.447 2.401 20 30 FEEDHN CC[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H](C)N1 ZINC000598531637 673579731 /nfs/dbraw/zinc/57/97/31/673579731.db2.gz NLAPUTPKIBGPGB-WCQYABFASA-N 0 3 366.259 2.298 20 30 FEEDHN CC(C)(C)NS(=O)(=O)c1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598720755 673603204 /nfs/dbraw/zinc/60/32/04/673603204.db2.gz QMSZAVDZKQUWCZ-HNNXBMFYSA-N 0 3 367.515 2.154 20 30 FEEDHN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000739142501 673628695 /nfs/dbraw/zinc/62/86/95/673628695.db2.gz ACSBPKFYRDVQIC-CYBMUJFWSA-N 0 3 351.447 2.401 20 30 FEEDHN CN1CCN(CC2CN(c3c(C#N)cnc4c(Cl)cccc43)C2)CC1 ZINC000599109910 673634083 /nfs/dbraw/zinc/63/40/83/673634083.db2.gz XGHIHBFUFBFJFH-UHFFFAOYSA-N 0 3 355.873 2.443 20 30 FEEDHN N#CC1(C[C@H](O)CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000600732800 673795100 /nfs/dbraw/zinc/79/51/00/673795100.db2.gz UZWXNVKBUBWXNX-WFASDCNBSA-N 0 3 351.809 2.229 20 30 FEEDHN CSc1nnc(CCCNC(=O)[C@@H](N)CCCC#N)n1C1CCCC1 ZINC000600761629 673797385 /nfs/dbraw/zinc/79/73/85/673797385.db2.gz ODFBSFNIQKWLSM-AWEZNQCLSA-N 0 3 364.519 2.185 20 30 FEEDHN N#Cc1ccccc1CSCCNCc1ccc(S(N)(=O)=O)s1 ZINC000602500753 673906910 /nfs/dbraw/zinc/90/69/10/673906910.db2.gz AKLWXIOJBNJCBG-UHFFFAOYSA-N 0 3 367.521 2.290 20 30 FEEDHN CC(C)N1CCN(CCCn2c(C(F)(F)F)ccc(C#N)c2=O)CC1 ZINC000603378731 673927567 /nfs/dbraw/zinc/92/75/67/673927567.db2.gz WPRGPBDWRYHUGU-UHFFFAOYSA-N 0 3 356.392 2.155 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2c(F)cccc2F)c1 ZINC000548908325 674005583 /nfs/dbraw/zinc/00/55/83/674005583.db2.gz RGYUKKXXODJKTH-UHFFFAOYSA-N 0 3 350.390 2.442 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000818609117 675228392 /nfs/dbraw/zinc/22/83/92/675228392.db2.gz LDEDMFGJAZZCLP-ZDUSSCGKSA-N 0 3 353.260 2.288 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000827444757 675756231 /nfs/dbraw/zinc/75/62/31/675756231.db2.gz APSCKTLLRCBJEX-SFHVURJKSA-N 0 3 352.523 2.196 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C=C)C(=O)OC ZINC000619688489 676390907 /nfs/dbraw/zinc/39/09/07/676390907.db2.gz PWFFFVWEEXGLFW-CQSZACIVSA-N 0 3 350.488 2.312 20 30 FEEDHN CC#CC[C@H](CO)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000646250664 677281397 /nfs/dbraw/zinc/28/13/97/677281397.db2.gz HDEAEOBQUYADCH-GOSISDBHSA-N 0 3 361.511 2.174 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2SC)CC1 ZINC000646593042 677286759 /nfs/dbraw/zinc/28/67/59/677286759.db2.gz JOIVCRBQAVHKPT-UHFFFAOYSA-N 0 3 351.447 2.253 20 30 FEEDHN C#Cc1cccc(NC(=S)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000763307734 680779501 /nfs/dbraw/zinc/77/95/01/680779501.db2.gz ZPDOKOCCEKFFHP-VQIMIIECSA-N 0 3 356.539 2.323 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C2)CC1 ZINC000831370285 679973295 /nfs/dbraw/zinc/97/32/95/679973295.db2.gz YDTXWRWILOWXOX-UHFFFAOYSA-N 0 3 365.474 2.335 20 30 FEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001020253899 680103786 /nfs/dbraw/zinc/10/37/86/680103786.db2.gz IPXAKRBKWOZGCE-FPCVCCKLSA-N 0 3 353.894 2.157 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(F)c1C#N ZINC000751499297 680183685 /nfs/dbraw/zinc/18/36/85/680183685.db2.gz WYXLQTAOUSIYSB-MJBXVCDLSA-N 0 3 353.463 2.342 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C[C@H]2CCCCO2)CC1 ZINC000982135259 680270439 /nfs/dbraw/zinc/27/04/39/680270439.db2.gz ZBCRYFJPTQLEKW-QYZOEREBSA-N 0 3 350.503 2.461 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@@]1(C)CCC(=O)N1 ZINC000835062058 680292268 /nfs/dbraw/zinc/29/22/68/680292268.db2.gz QQASBZXHBMOWSA-MRXNPFEDSA-N 0 3 351.244 2.219 20 30 FEEDHN CC(C)N1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)[C@H](C)C1 ZINC000754258384 680346030 /nfs/dbraw/zinc/34/60/30/680346030.db2.gz MDWZFUYGUTWWJD-CYBMUJFWSA-N 0 3 367.519 2.286 20 30 FEEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 ZINC001004442519 680556386 /nfs/dbraw/zinc/55/63/86/680556386.db2.gz MWKNAKCCVXAISG-KBRIMQKVSA-N 0 3 367.921 2.357 20 30 FEEDHN C#CCNC(=S)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000758217289 680563341 /nfs/dbraw/zinc/56/33/41/680563341.db2.gz SNORDPPQMABDJU-UHFFFAOYSA-N 0 3 354.317 2.320 20 30 FEEDHN CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2C#N)C1 ZINC001043219914 680567244 /nfs/dbraw/zinc/56/72/44/680567244.db2.gz WTEXSWWCTLRZNZ-WQVCFCJDSA-N 0 3 361.515 2.456 20 30 FEEDHN CCCn1cc(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nn1 ZINC000766623951 680883090 /nfs/dbraw/zinc/88/30/90/680883090.db2.gz WPHQUUCQVVMFNP-NSHDSACASA-N 0 3 361.789 2.311 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1nnc(-c2c(F)cccc2F)s1 ZINC000841711367 680908596 /nfs/dbraw/zinc/90/85/96/680908596.db2.gz AEQNLIRLXKOMLX-UHFFFAOYSA-N 0 3 350.394 2.168 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCC1(O)CC(OCC)C1 ZINC000767739109 680924641 /nfs/dbraw/zinc/92/46/41/680924641.db2.gz PBRWLRYTXNKTKR-UHFFFAOYSA-N 0 3 368.271 2.481 20 30 FEEDHN COC(=O)[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000842342312 680939921 /nfs/dbraw/zinc/93/99/21/680939921.db2.gz ANUNWNTVXXCFCZ-GUTXKFCHSA-N 0 3 362.813 2.254 20 30 FEEDHN CC(C)(C)OC(=O)COCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000842684479 680959518 /nfs/dbraw/zinc/95/95/18/680959518.db2.gz LMYRMFJQLMHKHR-ZDUSSCGKSA-N 0 3 366.801 2.346 20 30 FEEDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932892353 681323808 /nfs/dbraw/zinc/32/38/08/681323808.db2.gz GYQFERHSSLXENI-STQMWFEESA-N 0 3 362.396 2.116 20 30 FEEDHN CN(C)[C@H](CNC(=O)CN(C)Cc1cc(C#N)cs1)c1ccccc1 ZINC000933773251 681466649 /nfs/dbraw/zinc/46/66/49/681466649.db2.gz IDWZEWGLDZFTMI-GOSISDBHSA-N 0 3 356.495 2.471 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000777293482 681479559 /nfs/dbraw/zinc/47/95/59/681479559.db2.gz VKJWTZMZGQHMRM-AWEZNQCLSA-N 0 3 351.447 2.259 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)CN(CC(C)C)CCO2 ZINC000949370588 681635504 /nfs/dbraw/zinc/63/55/04/681635504.db2.gz ZSMWUFISCNWOAT-MSOLQXFVSA-N 0 3 350.503 2.317 20 30 FEEDHN CC(C)N1CCO[C@H](C(=N)NOCc2cc(Cl)ccc2OCC#N)C1 ZINC000779652699 681735721 /nfs/dbraw/zinc/73/57/21/681735721.db2.gz HVPUPNMQDAMCMM-INIZCTEOSA-N 0 3 366.849 2.350 20 30 FEEDHN N#CC(C(=O)COc1ccc(F)cc1Br)C(=O)N1CCCC1 ZINC000916866857 685528277 /nfs/dbraw/zinc/52/82/77/685528277.db2.gz JYPPSVNWUDBXOT-LLVKDONJSA-N 0 3 369.190 2.298 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)CCn2cc(Cl)cn2)C1 ZINC000971558671 682359294 /nfs/dbraw/zinc/35/92/94/682359294.db2.gz DGYUDERPPDNBHL-ZACQAIPSSA-N 0 3 366.893 2.050 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C[C@H]21 ZINC000972339408 682407522 /nfs/dbraw/zinc/40/75/22/682407522.db2.gz FBYUJVLESWWMPF-FVQBIDKESA-N 0 3 367.921 2.166 20 30 FEEDHN CS(=O)(=O)c1ccccc1N=NC1CCOC[C@@H]1CN1CCCCC1 ZINC000787155625 682437807 /nfs/dbraw/zinc/43/78/07/682437807.db2.gz ROJYNPMSDUMHTI-HNNXBMFYSA-N 0 3 365.499 2.380 20 30 FEEDHN CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCN(C)C1 ZINC000855360507 682661535 /nfs/dbraw/zinc/66/15/35/682661535.db2.gz GMVAFXFOPCDWAI-CABCVRRESA-N 0 3 352.479 2.126 20 30 FEEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(C#N)c(Cl)n1 ZINC000856410600 682777420 /nfs/dbraw/zinc/77/74/20/682777420.db2.gz KXFHFKIEBAZKTE-CQSZACIVSA-N 0 3 362.861 2.322 20 30 FEEDHN C=CCn1c(C)nn(CN2CCN(c3ccncc3OC)CC2)c1=S ZINC000794703195 682991087 /nfs/dbraw/zinc/99/10/87/682991087.db2.gz ASIWQQZBXFGYSM-UHFFFAOYSA-N 0 3 360.487 2.092 20 30 FEEDHN C#CCCOc1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796514663 683167461 /nfs/dbraw/zinc/16/74/61/683167461.db2.gz OVBYVMGBFDEFSD-QGZVFWFLSA-N 0 3 356.388 2.441 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC1OCCO1 ZINC000796790262 683195762 /nfs/dbraw/zinc/19/57/62/683195762.db2.gz QTNRWEHTFDWWKB-SNVBAGLBSA-N 0 3 352.774 2.067 20 30 FEEDHN N#Cc1cc(CNCCC(=O)N2CCN(c3ccccc3)CC2)cs1 ZINC000921632250 683526707 /nfs/dbraw/zinc/52/67/07/683526707.db2.gz LEBNIITWYSSMFV-UHFFFAOYSA-N 0 3 354.479 2.448 20 30 FEEDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000866342888 684093603 /nfs/dbraw/zinc/09/36/03/684093603.db2.gz GJFJUQSXEMVOJL-GJZGRUSLSA-N 0 3 352.479 2.030 20 30 FEEDHN Cc1sc(CNCCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000873049328 685059771 /nfs/dbraw/zinc/05/97/71/685059771.db2.gz GAZBCYAUBRSJID-BUHFOSPRSA-N 0 3 370.272 2.435 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000876732327 686255825 /nfs/dbraw/zinc/25/58/25/686255825.db2.gz ZIOVDCYUCWCZRU-CYBMUJFWSA-N 0 3 371.268 2.382 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C ZINC000876899420 686290854 /nfs/dbraw/zinc/29/08/54/686290854.db2.gz XJXKBBNDLMULGW-DZGCQCFKSA-N 0 3 351.834 2.013 20 30 FEEDHN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1cnc2c(C#N)cnn2c1 ZINC000877715824 686444229 /nfs/dbraw/zinc/44/42/29/686444229.db2.gz JVVJIQALERSOLC-SFHVURJKSA-N 0 3 355.829 2.338 20 30 FEEDHN COC[C@@H](NCCC(=O)N(C)CCC#N)c1cccc(Br)c1 ZINC000879662806 686882862 /nfs/dbraw/zinc/88/28/62/686882862.db2.gz MAPIUATZYDZUAZ-OAHLLOKOSA-N 0 3 368.275 2.488 20 30 FEEDHN C#CC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000879847433 686925957 /nfs/dbraw/zinc/92/59/57/686925957.db2.gz ZDUANSJCHZQBAI-AWEZNQCLSA-N 0 3 365.861 2.319 20 30 FEEDHN COc1ccc(OC(F)F)c(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884075301 687783955 /nfs/dbraw/zinc/78/39/55/687783955.db2.gz UEJXUXYMBHRKIA-GCULGPDHSA-N 0 3 351.353 2.374 20 30 FEEDHN N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cc(Br)ccc1[O-])C2 ZINC000884268608 687834076 /nfs/dbraw/zinc/83/40/76/687834076.db2.gz NGEWHYQQRIGRAF-KGXJWFGYSA-N 0 3 350.216 2.233 20 30 FEEDHN C#CCN(C(=O)c1cc(Br)cnc1F)C1CCN(C)CC1 ZINC000886573286 688278320 /nfs/dbraw/zinc/27/83/20/688278320.db2.gz DCNLCBKRQMXGBN-UHFFFAOYSA-N 0 3 354.223 2.153 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)N1CCO[C@](C)(C#N)C1)c1ccsc1 ZINC000891875938 689120984 /nfs/dbraw/zinc/12/09/84/689120984.db2.gz DDVLXCXPCCLOLI-NVXWUHKLSA-N 0 3 350.488 2.455 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC000893239157 689319222 /nfs/dbraw/zinc/31/92/22/689319222.db2.gz SJNFSOPFLHMIPN-OAHLLOKOSA-N 0 3 363.531 2.035 20 30 FEEDHN C#CCOc1ccccc1CN1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000898398401 690175596 /nfs/dbraw/zinc/17/55/96/690175596.db2.gz FIJJJQGGIZLORQ-RUZDIDTESA-N 0 3 363.527 2.485 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000900598599 690536626 /nfs/dbraw/zinc/53/66/26/690536626.db2.gz KGGRWDWGLVBHBT-HNNXBMFYSA-N 0 3 353.260 2.249 20 30 FEEDHN CC(C)CN1CCN(c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)CC1 ZINC001164657192 719339295 /nfs/dbraw/zinc/33/92/95/719339295.db2.gz AYZHVNVFJDGXLR-OAHLLOKOSA-N 0 3 359.474 2.203 20 30 FEEDHN CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCN(C2CCCC2)CC1 ZINC001165032601 721861114 /nfs/dbraw/zinc/86/11/14/721861114.db2.gz SRQLFMOEQMDTGY-INIZCTEOSA-N 0 3 371.485 2.490 20 30 FEEDHN CC(C)(CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCCCC1 ZINC000043190582 540093502 /nfs/dbraw/zinc/09/35/02/540093502.db2.gz COBRMLFQGTUQAZ-UHFFFAOYSA-N 0 3 370.501 2.049 20 30 FEEDHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000550470474 674097930 /nfs/dbraw/zinc/09/79/30/674097930.db2.gz JKEKWIFLEYLDHF-GFCCVEGCSA-N 0 3 362.499 2.314 20 30 FEEDHN CC(=O)Nc1nc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000047011826 540284833 /nfs/dbraw/zinc/28/48/33/540284833.db2.gz HSJISSOOFROOCH-UHFFFAOYSA-N 0 3 371.466 2.177 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)CC1 ZINC000050024297 540397342 /nfs/dbraw/zinc/39/73/42/540397342.db2.gz BSPLMPAIFWMTAW-FQEVSTJZSA-N 0 3 369.509 2.294 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000052837299 540492233 /nfs/dbraw/zinc/49/22/33/540492233.db2.gz KOCXRCBVTUVPPG-UHFFFAOYSA-N 0 3 358.486 2.177 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000063823530 541187680 /nfs/dbraw/zinc/18/76/80/541187680.db2.gz ABPLBKHQDCPTQM-UHFFFAOYSA-N 0 3 364.449 2.444 20 30 FEEDHN C[C@H]1CN(C2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000066561495 541335826 /nfs/dbraw/zinc/33/58/26/541335826.db2.gz SVQZLRYWLZQTCM-INIZCTEOSA-N 0 3 356.470 2.072 20 30 FEEDHN C#CCOc1ccccc1CNCC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000067698632 541500640 /nfs/dbraw/zinc/50/06/40/541500640.db2.gz ZEPKVAAWYMTWCN-QGZVFWFLSA-N 0 3 367.371 2.362 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000068133692 541553831 /nfs/dbraw/zinc/55/38/31/541553831.db2.gz MLGUNSXHAJHSGU-QGZVFWFLSA-N 0 3 357.454 2.423 20 30 FEEDHN C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)N(C)C1CC1 ZINC000069440493 541687300 /nfs/dbraw/zinc/68/73/00/541687300.db2.gz RCKACKRYFWHKCI-GDBMZVCRSA-N 0 3 373.476 2.448 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC=O)cc1 ZINC000073705509 541988910 /nfs/dbraw/zinc/98/89/10/541988910.db2.gz ASQQDWBVVXDAMY-UHFFFAOYSA-N 0 3 350.422 2.331 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)N(CCC#N)CCC#N ZINC000077371595 542373901 /nfs/dbraw/zinc/37/39/01/542373901.db2.gz VQFCQJZFAIRIIL-IBGZPJMESA-N 0 3 367.497 2.239 20 30 FEEDHN COC1CCN(CCNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000079680906 542535365 /nfs/dbraw/zinc/53/53/65/542535365.db2.gz FGCREYRKEHKKHO-UHFFFAOYSA-N 0 3 359.470 2.334 20 30 FEEDHN COCCCN1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000081087942 542631499 /nfs/dbraw/zinc/63/14/99/542631499.db2.gz ACNMODIDPIXSEW-LJQANCHMSA-N 0 3 372.513 2.366 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2nnc[nH]2)CC1)C(C)C ZINC000083702190 542701004 /nfs/dbraw/zinc/70/10/04/542701004.db2.gz KGFANQIYOMZGFX-KRWDZBQOSA-N 0 3 360.506 2.392 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000089134907 542758686 /nfs/dbraw/zinc/75/86/86/542758686.db2.gz DOOOEPRJZQYRLS-PMACEKPBSA-N 0 3 354.498 2.359 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cccc(Br)c1C ZINC000090092783 542782476 /nfs/dbraw/zinc/78/24/76/542782476.db2.gz RPKIBYVNGAGLNJ-LLVKDONJSA-N 0 3 360.273 2.363 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000091577851 542813485 /nfs/dbraw/zinc/81/34/85/542813485.db2.gz PWXRWXVMWKKQGQ-NHCUHLMSSA-N 0 3 368.525 2.168 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)COC2)C(C)C ZINC000092221790 542849636 /nfs/dbraw/zinc/84/96/36/542849636.db2.gz JTWWWTSLKFBBPG-IBGZPJMESA-N 0 3 371.481 2.470 20 30 FEEDHN COC(=O)C(C)(C)[C@@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000093281514 542923538 /nfs/dbraw/zinc/92/35/38/542923538.db2.gz SBTBFFCYKHUKOZ-SJORKVTESA-N 0 3 360.454 2.209 20 30 FEEDHN CC[C@@H](C)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000104686145 543137519 /nfs/dbraw/zinc/13/75/19/543137519.db2.gz MOWIRVAANNXMEK-CQSZACIVSA-N 0 3 371.441 2.185 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000106040691 543186786 /nfs/dbraw/zinc/18/67/86/543186786.db2.gz BQZVEZACAAGTSQ-UHFFFAOYSA-N 0 3 350.484 2.002 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C(=O)NCC)cc2)CC1 ZINC000106262954 543221747 /nfs/dbraw/zinc/22/17/47/543221747.db2.gz NCGGBGBNRDQQNY-UHFFFAOYSA-N 0 3 358.486 2.276 20 30 FEEDHN CN(C)CCN(Cc1ccccn1)C(=O)NCc1ccc(C#N)cc1F ZINC000107392246 543269673 /nfs/dbraw/zinc/26/96/73/543269673.db2.gz FPXXQIGZKQTDLG-UHFFFAOYSA-N 0 3 355.417 2.366 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107524558 543272037 /nfs/dbraw/zinc/27/20/37/543272037.db2.gz HYMJYAPPUPIQAW-KRWDZBQOSA-N 0 3 370.497 2.273 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)NCC1(c2cccc(OC)c2)CCCC1 ZINC000108407146 543289688 /nfs/dbraw/zinc/28/96/88/543289688.db2.gz XDUQHFOADPWTOW-HNNXBMFYSA-N 0 3 359.470 2.497 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC1CCN(C)CC1 ZINC000108604462 543297261 /nfs/dbraw/zinc/29/72/61/543297261.db2.gz CICOVJNSXGFNQS-ZDUSSCGKSA-N 0 3 360.483 2.087 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000108933998 543308838 /nfs/dbraw/zinc/30/88/38/543308838.db2.gz CYZCYFAJLMFZJE-AWEZNQCLSA-N 0 3 360.454 2.235 20 30 FEEDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000111350366 543398564 /nfs/dbraw/zinc/39/85/64/543398564.db2.gz CYGFGUCAJQCSGE-AWEZNQCLSA-N 0 3 350.488 2.132 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)N(C)Cc1ccccc1 ZINC000111910985 543424704 /nfs/dbraw/zinc/42/47/04/543424704.db2.gz QKCDCGBPBUVOME-CQSZACIVSA-N 0 3 368.412 2.273 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-n2cncn2)nc1)C(C)C ZINC000112919787 543468298 /nfs/dbraw/zinc/46/82/98/543468298.db2.gz GQKRSNZDJPAMIA-QGZVFWFLSA-N 0 3 354.458 2.091 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1csc(-c2nc[nH]n2)n1)C(C)C ZINC000112919776 543468666 /nfs/dbraw/zinc/46/86/66/543468666.db2.gz GZIWKJFTWMFJLB-CQSZACIVSA-N 0 3 360.487 2.357 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc(C#N)nc3)cc2)CC1 ZINC000115334193 543560883 /nfs/dbraw/zinc/56/08/83/543560883.db2.gz IEIPXOQLZNRXQO-UHFFFAOYSA-N 0 3 363.465 2.021 20 30 FEEDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000118117813 543646622 /nfs/dbraw/zinc/64/66/22/543646622.db2.gz JWQDDVKBFXHEMS-OAHLLOKOSA-N 0 3 360.458 2.154 20 30 FEEDHN Cc1ccc(C(=O)NC2CCN(CCC(=O)N(C)CCC#N)CC2)s1 ZINC000131846383 544209177 /nfs/dbraw/zinc/20/91/77/544209177.db2.gz WGCFQGSCHDOHDI-UHFFFAOYSA-N 0 3 362.499 2.013 20 30 FEEDHN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000132188035 544222355 /nfs/dbraw/zinc/22/23/55/544222355.db2.gz IVRVRIFINCDUCS-MRXNPFEDSA-N 0 3 372.469 2.250 20 30 FEEDHN C=C[C@@H](CC(=O)N1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000134644457 544316548 /nfs/dbraw/zinc/31/65/48/544316548.db2.gz SNSFEBYVWWRLAV-KRWDZBQOSA-N 0 3 357.498 2.263 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)cc1C#N ZINC000134141580 544295723 /nfs/dbraw/zinc/29/57/23/544295723.db2.gz GDPKRCRVHQNXNF-HNNXBMFYSA-N 0 3 372.469 2.084 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000135112462 544334817 /nfs/dbraw/zinc/33/48/17/544334817.db2.gz JDVBYWBEOWXNCV-OAHLLOKOSA-N 0 3 351.491 2.400 20 30 FEEDHN CCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153275373 544755411 /nfs/dbraw/zinc/75/54/11/544755411.db2.gz YECGJFVYXPMPHC-OAHLLOKOSA-N 0 3 368.485 2.165 20 30 FEEDHN CC[C@@H](CO)N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000154061405 544859565 /nfs/dbraw/zinc/85/95/65/544859565.db2.gz FGFNMAWZXYXEQY-INIZCTEOSA-N 0 3 356.388 2.325 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c(Cl)c1 ZINC000183556269 327824205 /nfs/dbraw/zinc/82/42/05/327824205.db2.gz JHOLHHBMURUPRF-CQSZACIVSA-N 0 3 353.875 2.461 20 30 FEEDHN Cc1nc(C)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nc1C ZINC000184735961 327881189 /nfs/dbraw/zinc/88/11/89/327881189.db2.gz CNTQNKIPPDHXEL-UHFFFAOYSA-N 0 3 351.454 2.478 20 30 FEEDHN N#Cc1c(NC(=O)CN[C@H]2CCCC[C@H]2C(N)=O)sc2c1CCCCC2 ZINC000184817333 327884152 /nfs/dbraw/zinc/88/41/52/327884152.db2.gz VNSIWKDJKXMTLU-HIFRSBDPSA-N 0 3 374.510 2.461 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000187648152 328037573 /nfs/dbraw/zinc/03/75/73/328037573.db2.gz OXYWLBGBOOUKAC-UHFFFAOYSA-N 0 3 366.421 2.384 20 30 FEEDHN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000189388611 328144924 /nfs/dbraw/zinc/14/49/24/328144924.db2.gz CWYJLNIVZMUHGA-MRXNPFEDSA-N 0 3 358.417 2.113 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H](c1ccccc1)N(C)C ZINC000191246302 328256229 /nfs/dbraw/zinc/25/62/29/328256229.db2.gz VCJCVUDRHAOMHB-SCLBCKFNSA-N 0 3 368.412 2.443 20 30 FEEDHN COc1cc(CN2CC[C@H](NCc3cc(C#N)n(C)c3)C2)cc(OC)c1 ZINC000191307043 328259231 /nfs/dbraw/zinc/25/92/31/328259231.db2.gz DCCRZVRKCSGIOJ-KRWDZBQOSA-N 0 3 354.454 2.278 20 30 FEEDHN COc1cccc2c1CCN(C[C@H](O)COc1ccc(C#N)cc1)CC2 ZINC000193708977 328390760 /nfs/dbraw/zinc/39/07/60/328390760.db2.gz ARYRSILBBGHHJG-SFHVURJKSA-N 0 3 352.434 2.407 20 30 FEEDHN CCNC(=O)COc1ccc(CNCc2cccc(C#N)c2)cc1OC ZINC000047739914 324643212 /nfs/dbraw/zinc/64/32/12/324643212.db2.gz ONYREPQVXRLXGY-UHFFFAOYSA-N 0 3 353.422 2.372 20 30 FEEDHN CC(C)(CNC(=O)N1CCN(c2ncccc2C#N)CC1)N1CCCCC1 ZINC000078317867 325041897 /nfs/dbraw/zinc/04/18/97/325041897.db2.gz XURWOAKYEAJGLX-UHFFFAOYSA-N 0 3 370.501 2.049 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101788568 325480936 /nfs/dbraw/zinc/48/09/36/325480936.db2.gz IIWVAJVFIZTURJ-MRXNPFEDSA-N 0 3 373.476 2.403 20 30 FEEDHN CC(C)n1cnnc1[C@@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000118861060 326109171 /nfs/dbraw/zinc/10/91/71/326109171.db2.gz LXSGVRCYYFXZCG-MSOLQXFVSA-N 0 3 369.469 2.350 20 30 FEEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000120893412 326297020 /nfs/dbraw/zinc/29/70/20/326297020.db2.gz OZGBTHPUPOZPDW-AEFFLSMTSA-N 0 3 373.501 2.404 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(N)=O)c1 ZINC000127072746 326499756 /nfs/dbraw/zinc/49/97/56/326499756.db2.gz BHSODURIQFYUSJ-UHFFFAOYSA-N 0 3 365.437 2.253 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCCC(=O)NC1CCN(C2CC2)CC1 ZINC000133881814 326616231 /nfs/dbraw/zinc/61/62/31/326616231.db2.gz DGVHGOKJNKPHBK-UHFFFAOYSA-N 0 3 354.454 2.410 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(CCN(C)C)C(C)C)C2)n1 ZINC000151948777 326695305 /nfs/dbraw/zinc/69/53/05/326695305.db2.gz VRNLBNXKDATHPC-SFHVURJKSA-N 0 3 357.502 2.277 20 30 FEEDHN CC(C)[C@H](C)NC(=O)C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000153893538 326745690 /nfs/dbraw/zinc/74/56/90/326745690.db2.gz CDGHPRFFXNAVMP-LPHOPBHVSA-N 0 3 373.497 2.171 20 30 FEEDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155125018 326778630 /nfs/dbraw/zinc/77/86/30/326778630.db2.gz DWKYCLARYDPQQJ-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1 ZINC000163931678 327061780 /nfs/dbraw/zinc/06/17/80/327061780.db2.gz KXDRAVCJEZICPV-QGZVFWFLSA-N 0 3 365.474 2.381 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000167170669 327083933 /nfs/dbraw/zinc/08/39/33/327083933.db2.gz ZUXHTKRWZFSNEZ-MRXNPFEDSA-N 0 3 366.387 2.320 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000172835056 327221500 /nfs/dbraw/zinc/22/15/00/327221500.db2.gz VPIPERDKHCTCLV-MRXNPFEDSA-N 0 3 358.486 2.129 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000172835056 327221501 /nfs/dbraw/zinc/22/15/01/327221501.db2.gz VPIPERDKHCTCLV-MRXNPFEDSA-N 0 3 358.486 2.129 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1C#N ZINC000174782059 327350799 /nfs/dbraw/zinc/35/07/99/327350799.db2.gz UKGHVYSEXLHOAA-CQSZACIVSA-N 0 3 356.470 2.432 20 30 FEEDHN Cc1nnc2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cn12 ZINC000263832865 328966743 /nfs/dbraw/zinc/96/67/43/328966743.db2.gz UQVSDEDEIUKXPT-UHFFFAOYSA-N 0 3 362.437 2.113 20 30 FEEDHN CN(C)C(=O)c1ccc(N2CCCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000264893028 329071971 /nfs/dbraw/zinc/07/19/71/329071971.db2.gz PZBQFPODQHKNDM-UHFFFAOYSA-N 0 3 363.465 2.367 20 30 FEEDHN CN(CCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC000264910330 329073806 /nfs/dbraw/zinc/07/38/06/329073806.db2.gz WWDYRKXSFOAQCL-UHFFFAOYSA-N 0 3 369.469 2.013 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000267955524 329371414 /nfs/dbraw/zinc/37/14/14/329371414.db2.gz SBBRBHBDEQYZIP-VQIMIIECSA-N 0 3 367.497 2.011 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000275989529 330109672 /nfs/dbraw/zinc/10/96/72/330109672.db2.gz XGBVRHREKMXZMS-UHFFFAOYSA-N 0 3 368.359 2.068 20 30 FEEDHN COCCN1CCC(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000416701453 330261969 /nfs/dbraw/zinc/26/19/69/330261969.db2.gz YJLFUHLDRCMMLX-IBGZPJMESA-N 0 3 356.470 2.346 20 30 FEEDHN CN(C)C(=O)[C@@H]1CC[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000554972486 674343923 /nfs/dbraw/zinc/34/39/23/674343923.db2.gz MWGFRGMBHSIWGM-HIFRSBDPSA-N 0 3 355.360 2.302 20 30 FEEDHN C#CCN1CCC(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000156950182 545681986 /nfs/dbraw/zinc/68/19/86/545681986.db2.gz ZJYGHKPIIWOWSD-UHFFFAOYSA-N 0 3 358.442 2.167 20 30 FEEDHN Cc1c(/C=C/C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1C ZINC000160027199 546002547 /nfs/dbraw/zinc/00/25/47/546002547.db2.gz JNLHLUNKVHGKPT-MDZDMXLPSA-N 0 3 351.454 2.204 20 30 FEEDHN C=CCN(CCOC)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000478786435 561174821 /nfs/dbraw/zinc/17/48/21/561174821.db2.gz JCOIHFRBDDJGFG-FQEVSTJZSA-N 0 3 374.529 2.209 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)CC1 ZINC000161116007 546102139 /nfs/dbraw/zinc/10/21/39/546102139.db2.gz HFVOOHRJXZPPLE-UHFFFAOYSA-N 0 3 354.410 2.410 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N1CCC(C)CC1 ZINC000161448954 546130349 /nfs/dbraw/zinc/13/03/49/546130349.db2.gz KTCSOQNLSYVCIA-CQSZACIVSA-N 0 3 353.463 2.237 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000171722109 546221385 /nfs/dbraw/zinc/22/13/85/546221385.db2.gz VLSAODFIWCSOSW-UHFFFAOYSA-N 0 3 358.410 2.063 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000171722233 546222222 /nfs/dbraw/zinc/22/22/22/546222222.db2.gz OVOGKSWRTJVQKP-QGZVFWFLSA-N 0 3 373.472 2.445 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)CC1 ZINC000171740547 546223232 /nfs/dbraw/zinc/22/32/32/546223232.db2.gz UOMOSLLZENCDQN-UHFFFAOYSA-N 0 3 374.485 2.142 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)CC1 ZINC000171737055 546223671 /nfs/dbraw/zinc/22/36/71/546223671.db2.gz SQLNIVFQRYGMHG-UHFFFAOYSA-N 0 3 374.485 2.014 20 30 FEEDHN C=CC1CCN(CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000171952783 546231977 /nfs/dbraw/zinc/23/19/77/546231977.db2.gz MXZJOEXZPMDEMG-UHFFFAOYSA-N 0 3 357.498 2.237 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)C(C)C ZINC000171980470 546232119 /nfs/dbraw/zinc/23/21/19/546232119.db2.gz DCHFZOKTMWXYCK-KRWDZBQOSA-N 0 3 354.458 2.091 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000172185625 546239901 /nfs/dbraw/zinc/23/99/01/546239901.db2.gz HZAKJTRVEFINOP-LJQANCHMSA-N 0 3 361.486 2.457 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(S(=O)(=O)CCCCC#N)CC2)C[C@H](C)O1 ZINC000175664926 546330119 /nfs/dbraw/zinc/33/01/19/546330119.db2.gz YWIJOKUWEZOMKG-CALCHBBNSA-N 0 3 371.547 2.221 20 30 FEEDHN COCCCN(C)CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000176070261 546401808 /nfs/dbraw/zinc/40/18/08/546401808.db2.gz HYKCAQNQJRGRAG-UHFFFAOYSA-N 0 3 356.373 2.249 20 30 FEEDHN C=CCc1ccc(OCC(=O)NC[C@@]2(N(C)C)CCSC2)c(OC)c1 ZINC000480263332 561206059 /nfs/dbraw/zinc/20/60/59/561206059.db2.gz JSRATGNKESRSTN-IBGZPJMESA-N 0 3 364.511 2.356 20 30 FEEDHN CCCN(CC)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000176209940 546419911 /nfs/dbraw/zinc/41/99/11/546419911.db2.gz HIFZTDMFHYDIFL-UHFFFAOYSA-N 0 3 360.458 2.132 20 30 FEEDHN N#Cc1ccc(CN(CCC(=O)NC(=O)NCC(F)(F)F)C2CC2)cc1 ZINC000177026245 546526439 /nfs/dbraw/zinc/52/64/39/546526439.db2.gz BOYNLNHUQIFEEI-UHFFFAOYSA-N 0 3 368.359 2.301 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(F)ccc2OC(F)F)CC1 ZINC000177240011 546577054 /nfs/dbraw/zinc/57/70/54/546577054.db2.gz BIDUCMUBMZTVOF-UHFFFAOYSA-N 0 3 371.359 2.132 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000177527795 546637746 /nfs/dbraw/zinc/63/77/46/546637746.db2.gz KTFMJIFHURLCPT-AWEZNQCLSA-N 0 3 360.483 2.183 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)N1CCC(C)CC1 ZINC000481025975 561223094 /nfs/dbraw/zinc/22/30/94/561223094.db2.gz QUGOEALBCHTPPI-AWEZNQCLSA-N 0 3 353.463 2.237 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@@H]21 ZINC000178002973 546720948 /nfs/dbraw/zinc/72/09/48/546720948.db2.gz WLEMFKHXKURYDG-ZFWWWQNUSA-N 0 3 353.875 2.316 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000178501531 546803529 /nfs/dbraw/zinc/80/35/29/546803529.db2.gz FYOGRKWGHWZUBA-KRWDZBQOSA-N 0 3 354.454 2.186 20 30 FEEDHN Cn1cc(CN2CCC[C@@H](Cn3ccnn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180285720 547079082 /nfs/dbraw/zinc/07/90/82/547079082.db2.gz WIYRCFBNSJKKBU-QGZVFWFLSA-N 0 3 361.453 2.462 20 30 FEEDHN C=CCSCCN[C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000180458538 547111857 /nfs/dbraw/zinc/11/18/57/547111857.db2.gz LCQFEDBCWLSKLS-HNNXBMFYSA-N 0 3 370.540 2.277 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(C)CCCOC2)cc1 ZINC000483561854 561279699 /nfs/dbraw/zinc/27/96/99/561279699.db2.gz MBIWJNNRHRHAGJ-WBMJQRKESA-N 0 3 351.428 2.063 20 30 FEEDHN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000181971412 547415403 /nfs/dbraw/zinc/41/54/03/547415403.db2.gz UPCUGKJUTXGOBN-ZDUSSCGKSA-N 0 3 374.422 2.096 20 30 FEEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCCCC2)CC1 ZINC000182623964 547523248 /nfs/dbraw/zinc/52/32/48/547523248.db2.gz HQPUUSUDJGPFCB-LJQANCHMSA-N 0 3 358.461 2.411 20 30 FEEDHN CN(CCC1CC1)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000182969831 547581489 /nfs/dbraw/zinc/58/14/89/547581489.db2.gz ARPORUIVPSCYGI-LJQANCHMSA-N 0 3 358.461 2.266 20 30 FEEDHN C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1-n1cccn1 ZINC000183173545 547616202 /nfs/dbraw/zinc/61/62/02/547616202.db2.gz HOSMJLWIARAGNJ-MRXNPFEDSA-N 0 3 350.426 2.179 20 30 FEEDHN CC(=O)NC[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000183249817 547627271 /nfs/dbraw/zinc/62/72/71/547627271.db2.gz AGNRHMWCVFAVDN-KRWDZBQOSA-N 0 3 351.454 2.307 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000184225674 547791092 /nfs/dbraw/zinc/79/10/92/547791092.db2.gz TYYYDLCHGGHCAX-UHFFFAOYSA-N 0 3 354.498 2.388 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000185782704 548034855 /nfs/dbraw/zinc/03/48/55/548034855.db2.gz LELHLKCBJPJOJP-INIZCTEOSA-N 0 3 363.483 2.063 20 30 FEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000186699969 548176007 /nfs/dbraw/zinc/17/60/07/548176007.db2.gz LTFQDTFRPPEHKH-WBVHZDCISA-N 0 3 352.500 2.449 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000188416448 548279255 /nfs/dbraw/zinc/27/92/55/548279255.db2.gz KGEUBJZKBBYYGA-IBGZPJMESA-N 0 3 361.442 2.323 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC1(O)CCOCC1 ZINC000189761837 548311278 /nfs/dbraw/zinc/31/12/78/548311278.db2.gz SZUXSMQXQHCEHU-HNNXBMFYSA-N 0 3 352.500 2.125 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2nc(CC)c(C)s2)CC1 ZINC000192893859 548374513 /nfs/dbraw/zinc/37/45/13/548374513.db2.gz AQFGPKCHEFLMRW-UHFFFAOYSA-N 0 3 350.488 2.109 20 30 FEEDHN C[C@H](C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000486560353 561350829 /nfs/dbraw/zinc/35/08/29/561350829.db2.gz NWCDWHKCJFVKEL-JTSKRJEESA-N 0 3 363.461 2.415 20 30 FEEDHN CCSCC[C@@H](C)N(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000246082362 549048050 /nfs/dbraw/zinc/04/80/50/549048050.db2.gz MYCPPHBSHOYCAQ-IAGOWNOFSA-N 0 3 354.564 2.142 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)COc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000263833553 549943425 /nfs/dbraw/zinc/94/34/25/549943425.db2.gz TUIULCQJUNGHFT-CALCHBBNSA-N 0 3 371.481 2.285 20 30 FEEDHN C#CCCOc1ccc(C[NH2+]C[C@]([O-])(c2nccn2C)C(F)(F)F)cc1 ZINC000264932030 550003455 /nfs/dbraw/zinc/00/34/55/550003455.db2.gz BBFIMASVWDIPPX-KRWDZBQOSA-N 0 3 367.371 2.362 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000265395311 550009422 /nfs/dbraw/zinc/00/94/22/550009422.db2.gz QFONYDMAJPFMNI-ZDUSSCGKSA-N 0 3 360.483 2.087 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1CCC[C@]1(C)CO ZINC000493444542 561456144 /nfs/dbraw/zinc/45/61/44/561456144.db2.gz WDDWOIMDTKGDLV-QKYXUNIQSA-N 0 3 359.470 2.471 20 30 FEEDHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000493709325 561457872 /nfs/dbraw/zinc/45/78/72/561457872.db2.gz QTLHCEBZIFDIRP-WMZOPIPTSA-N 0 3 368.399 2.314 20 30 FEEDHN CCOC(=O)C[C@@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000270470610 550275331 /nfs/dbraw/zinc/27/53/31/550275331.db2.gz BWBCDXDBMNPAAL-MRXNPFEDSA-N 0 3 374.485 2.221 20 30 FEEDHN COCCn1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000271050137 550335250 /nfs/dbraw/zinc/33/52/50/550335250.db2.gz UYOGFEHGXMZHIG-UHFFFAOYSA-N 0 3 353.470 2.109 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1=CCN(C)CC1 ZINC000271945341 550412327 /nfs/dbraw/zinc/41/23/27/550412327.db2.gz XHMNYVJMVQYJGZ-CQSZACIVSA-N 0 3 372.494 2.255 20 30 FEEDHN CCOC(=O)N1CCC(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272228979 550430115 /nfs/dbraw/zinc/43/01/15/550430115.db2.gz QXPJYUYGLVGGLR-SFHVURJKSA-N 0 3 370.453 2.264 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2nccn2CC)CC1 ZINC000275630947 550573043 /nfs/dbraw/zinc/57/30/43/550573043.db2.gz NMKVUNJANXZTBW-IRXDYDNUSA-N 0 3 361.490 2.073 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)c(OC)cc2C)CC1 ZINC000278012527 550738874 /nfs/dbraw/zinc/73/88/74/550738874.db2.gz FRWHGRBRSGTRIX-UHFFFAOYSA-N 0 3 359.470 2.407 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCN(C2CCOCC2)C[C@H]1C ZINC000278628794 550805907 /nfs/dbraw/zinc/80/59/07/550805907.db2.gz KNBXTUKCZDNPOG-MRXNPFEDSA-N 0 3 359.470 2.131 20 30 FEEDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278826312 550826198 /nfs/dbraw/zinc/82/61/98/550826198.db2.gz ONKJUZBCUGDNOO-GFCCVEGCSA-N 0 3 372.288 2.035 20 30 FEEDHN N#CCCn1cc(CN2CCC[C@H](C3OCCO3)C2)c(-c2ccncc2)n1 ZINC000279356249 550881062 /nfs/dbraw/zinc/88/10/62/550881062.db2.gz GSGXFMXYEJHOJE-KRWDZBQOSA-N 0 3 367.453 2.444 20 30 FEEDHN C[C@@H]1CN(C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000279769115 550926879 /nfs/dbraw/zinc/92/68/79/550926879.db2.gz SMEAKOPLVJXEKJ-FCEWJHQRSA-N 0 3 368.481 2.245 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@]12CCCO2 ZINC000280101978 550961088 /nfs/dbraw/zinc/96/10/88/550961088.db2.gz SRUNTIFTIYVWRJ-GNBUJSLZSA-N 0 3 353.422 2.083 20 30 FEEDHN CC1([C@@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)OCCO1 ZINC000280412330 550991017 /nfs/dbraw/zinc/99/10/17/550991017.db2.gz WOWFWNNMBZTBFF-ZWKOTPCHSA-N 0 3 353.422 2.242 20 30 FEEDHN CC1([C@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)OCCO1 ZINC000280412319 550991092 /nfs/dbraw/zinc/99/10/92/550991092.db2.gz WOWFWNNMBZTBFF-MSOLQXFVSA-N 0 3 353.422 2.242 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC000280807000 551034492 /nfs/dbraw/zinc/03/44/92/551034492.db2.gz HUGRDRRZSLQSAB-UHFFFAOYSA-N 0 3 359.474 2.230 20 30 FEEDHN CC(C)N1C(=S)N=NC1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280853632 551039272 /nfs/dbraw/zinc/03/92/72/551039272.db2.gz KLWMXDOMGWDNNT-AWEZNQCLSA-N 0 3 354.439 2.018 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000280991970 551052722 /nfs/dbraw/zinc/05/27/22/551052722.db2.gz TTYSRQOMCPSVRO-HXUWFJFHSA-N 0 3 373.460 2.416 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000281900088 551155306 /nfs/dbraw/zinc/15/53/06/551155306.db2.gz UWLOELBADNTRSK-PKOBYXMFSA-N 0 3 361.486 2.407 20 30 FEEDHN CCOCCCNC(=O)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000497613092 561504695 /nfs/dbraw/zinc/50/46/95/561504695.db2.gz VVYFZDMYEKFXQT-UHFFFAOYSA-N 0 3 359.470 2.192 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000282985309 551293616 /nfs/dbraw/zinc/29/36/16/551293616.db2.gz MJQWZJUPWZSBSP-IRXDYDNUSA-N 0 3 364.515 2.062 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC(F)F)cc2F)CC1 ZINC000283159997 551321350 /nfs/dbraw/zinc/32/13/50/551321350.db2.gz FCRFQRFXINTOQV-UHFFFAOYSA-N 0 3 371.359 2.132 20 30 FEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000497712174 561506931 /nfs/dbraw/zinc/50/69/31/561506931.db2.gz WXGCBWDZHJRELD-CQSZACIVSA-N 0 3 354.410 2.300 20 30 FEEDHN C[C@H](NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1)c1ccc(C#N)cc1 ZINC000283977706 551461037 /nfs/dbraw/zinc/46/10/37/551461037.db2.gz LUZPVFOPGCFDFJ-QFBILLFUSA-N 0 3 368.481 2.212 20 30 FEEDHN COC(=O)[C@]12CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C[C@H]1CCCC2 ZINC000284476631 551557509 /nfs/dbraw/zinc/55/75/09/551557509.db2.gz MFLOCFHIFNPFME-DBXWQHBBSA-N 0 3 365.433 2.432 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)Cc2ccccc2F)CC1 ZINC000284802427 551637570 /nfs/dbraw/zinc/63/75/70/551637570.db2.gz WWEVXIPLILFKJV-OAHLLOKOSA-N 0 3 361.461 2.030 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000285277699 551730674 /nfs/dbraw/zinc/73/06/74/551730674.db2.gz ZTOOYEOVKFUYQZ-IAGOWNOFSA-N 0 3 361.486 2.073 20 30 FEEDHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000285702947 551797963 /nfs/dbraw/zinc/79/79/63/551797963.db2.gz PAVCWIWCJADBME-GOEBONIOSA-N 0 3 363.483 2.196 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCCOc2ccc(C)cc2)CC1 ZINC000285783642 551809935 /nfs/dbraw/zinc/80/99/35/551809935.db2.gz NLICEDIUHPIUGP-UHFFFAOYSA-N 0 3 373.497 2.037 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](c2ncccc2C)C(C)C)CC1 ZINC000286363817 551878939 /nfs/dbraw/zinc/87/89/39/551878939.db2.gz CBZPWDUFWCMXJE-GOSISDBHSA-N 0 3 372.513 2.360 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 ZINC000286740579 551920939 /nfs/dbraw/zinc/92/09/39/551920939.db2.gz SDZDCVHAGURVCC-IBGZPJMESA-N 0 3 372.513 2.094 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000286825113 551930008 /nfs/dbraw/zinc/93/00/08/551930008.db2.gz WUEDJMWENFBKLU-APWZRJJASA-N 0 3 373.472 2.345 20 30 FEEDHN C#CCN(Cc1ccccc1)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000287397448 551998731 /nfs/dbraw/zinc/99/87/31/551998731.db2.gz IXTJORBPKLVRNM-IBGZPJMESA-N 0 3 356.514 2.105 20 30 FEEDHN C=CCN1CC[C@@H](N[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)C1=O ZINC000499601825 561554447 /nfs/dbraw/zinc/55/44/47/561554447.db2.gz FSCOHBUYDIVTFH-VQIMIIECSA-N 0 3 374.504 2.405 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000288312179 552130862 /nfs/dbraw/zinc/13/08/62/552130862.db2.gz WYENTHFHBDLSLO-BLLLJJGKSA-N 0 3 360.845 2.235 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000288518205 552167760 /nfs/dbraw/zinc/16/77/60/552167760.db2.gz PCDCIDRSDAJLEA-QUCCMNQESA-N 0 3 357.498 2.421 20 30 FEEDHN C#CC[C@@]1(C(=O)NCC2=CCN(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000289499512 552331679 /nfs/dbraw/zinc/33/16/79/552331679.db2.gz SSKZOTXFIQTVFO-FQEVSTJZSA-N 0 3 361.486 2.158 20 30 FEEDHN C=CC[C@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289590452 552345603 /nfs/dbraw/zinc/34/56/03/552345603.db2.gz UDHWPAQWVGPHIR-LLVKDONJSA-N 0 3 362.167 2.226 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(C)C ZINC000290194503 552441024 /nfs/dbraw/zinc/44/10/24/552441024.db2.gz HCXQOFCSUFBMIF-SFHVURJKSA-N 0 3 372.444 2.451 20 30 FEEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000291048487 552580538 /nfs/dbraw/zinc/58/05/38/552580538.db2.gz OSEVZJMAHHBBSC-KRWDZBQOSA-N 0 3 369.517 2.066 20 30 FEEDHN C[C@@H](N[C@H](C)c1ccc(N2CCCNC2=O)cc1)C(=O)N(C)CCC#N ZINC000291195995 552598529 /nfs/dbraw/zinc/59/85/29/552598529.db2.gz JHRGFHDMWKUGRJ-HUUCEWRRSA-N 0 3 357.458 2.017 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(C[C@H](O)COCc3ccccc3F)C2)nc1 ZINC000292096133 552693317 /nfs/dbraw/zinc/69/33/17/552693317.db2.gz FXPICIPBWBOWPO-ROUUACIJSA-N 0 3 371.412 2.123 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Cn2cccn2)on1)C(C)C ZINC000292144052 552698121 /nfs/dbraw/zinc/69/81/21/552698121.db2.gz FERXQMSPOSJOFW-SFHVURJKSA-N 0 3 357.458 2.348 20 30 FEEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)COCC(F)(F)F)CC2)c1 ZINC000292638151 552745384 /nfs/dbraw/zinc/74/53/84/552745384.db2.gz ODYOJSNWCUGXMX-CQSZACIVSA-N 0 3 358.360 2.341 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]3CCCCN3C3CC3)C2)nc1 ZINC000292699919 552750626 /nfs/dbraw/zinc/75/06/26/552750626.db2.gz QOWUHHMDTPLMME-QZTJIDSGSA-N 0 3 369.469 2.133 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000293418728 552821793 /nfs/dbraw/zinc/82/17/93/552821793.db2.gz PTXVNTFLQXNSTO-UHFFFAOYSA-N 0 3 357.788 2.287 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC1 ZINC000293490671 552828983 /nfs/dbraw/zinc/82/89/83/552828983.db2.gz TWYHNGOAEYFFIP-QGZVFWFLSA-N 0 3 371.481 2.286 20 30 FEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000293827943 552860137 /nfs/dbraw/zinc/86/01/37/552860137.db2.gz PMRAOISSFNOQPD-MRXNPFEDSA-N 0 3 367.449 2.459 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000293958708 552870811 /nfs/dbraw/zinc/87/08/11/552870811.db2.gz KTCOILXFMZMEIG-UHFFFAOYSA-N 0 3 352.394 2.342 20 30 FEEDHN COCCN(C)CCCNC(=O)c1ccc(Br)cc1C#N ZINC000294523586 552912775 /nfs/dbraw/zinc/91/27/75/552912775.db2.gz PCHNRKAOGRPWER-UHFFFAOYSA-N 0 3 354.248 2.019 20 30 FEEDHN C[C@H]1CN(CCCCNC(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](C)O1 ZINC000294861114 552939576 /nfs/dbraw/zinc/93/95/76/552939576.db2.gz GRZXHOOHIZMLIN-HOTGVXAUSA-N 0 3 358.486 2.243 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccn(CCn2cccn2)n1)C(C)C ZINC000294983876 552949258 /nfs/dbraw/zinc/94/92/58/552949258.db2.gz SLBYYMYRMGQCJB-LJQANCHMSA-N 0 3 370.501 2.208 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)Nc1ncc(Br)cc1C#N ZINC000295052224 552954520 /nfs/dbraw/zinc/95/45/20/552954520.db2.gz OSGXSAISOTZXHR-GFCCVEGCSA-N 0 3 352.280 2.154 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295770864 553056829 /nfs/dbraw/zinc/05/68/29/553056829.db2.gz YMNCNXVKDQRQAV-DOTOQJQBSA-N 0 3 362.433 2.168 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295980980 553084664 /nfs/dbraw/zinc/08/46/64/553084664.db2.gz LALLTRFFULPKKW-SUMWQHHRSA-N 0 3 351.447 2.086 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000296889381 553225568 /nfs/dbraw/zinc/22/55/68/553225568.db2.gz MFIWJJDAVYTQOP-HNNXBMFYSA-N 0 3 371.485 2.286 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000297030626 553244487 /nfs/dbraw/zinc/24/44/87/553244487.db2.gz AVDKBXNUHDBQDH-LJQANCHMSA-N 0 3 358.442 2.143 20 30 FEEDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc(C)n1 ZINC000503322072 561639444 /nfs/dbraw/zinc/63/94/44/561639444.db2.gz YOJZFMPKIKFKPG-UHFFFAOYSA-N 0 3 352.438 2.474 20 30 FEEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1SC ZINC000298130437 553388146 /nfs/dbraw/zinc/38/81/46/553388146.db2.gz PYDMVCNPCBDTKE-XMTFNYHQSA-N 0 3 359.495 2.158 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000298255972 553404612 /nfs/dbraw/zinc/40/46/12/553404612.db2.gz FFEFPAVXKMSOKK-LJQANCHMSA-N 0 3 372.513 2.319 20 30 FEEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000298629573 553451397 /nfs/dbraw/zinc/45/13/97/553451397.db2.gz VSMPQSWFKGMMOR-NRFANRHFSA-N 0 3 360.417 2.399 20 30 FEEDHN CN(C)CCOc1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000298831863 553478762 /nfs/dbraw/zinc/47/87/62/553478762.db2.gz ANEOTEIQWCIVHP-UHFFFAOYSA-N 0 3 373.478 2.118 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](CCSC)NC(=O)CC)C(C)C ZINC000298923490 553490389 /nfs/dbraw/zinc/49/03/89/553490389.db2.gz BPXCNVANETUYBA-IAGOWNOFSA-N 0 3 369.575 2.449 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)Sc1nncn1C)C(C)C ZINC000299145772 553521182 /nfs/dbraw/zinc/52/11/82/553521182.db2.gz PSOGAWBQCYMONN-LSDHHAIUSA-N 0 3 351.520 2.111 20 30 FEEDHN C=CCN1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000301383803 553647430 /nfs/dbraw/zinc/64/74/30/553647430.db2.gz BJEGZVWMCMUZEY-UHFFFAOYSA-N 0 3 374.441 2.130 20 30 FEEDHN CC(C(=O)N[C@H](C#N)c1ccccc1Cl)S(=O)(=O)C1CCOCC1 ZINC000505642031 561676218 /nfs/dbraw/zinc/67/62/18/561676218.db2.gz YBDHTRINBDQJFM-IAQYHMDHSA-N 0 3 370.858 2.003 20 30 FEEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000328660754 553803905 /nfs/dbraw/zinc/80/39/05/553803905.db2.gz VXFOPFGLUFCTEC-RTBURBONSA-N 0 3 368.485 2.179 20 30 FEEDHN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000328753768 553817171 /nfs/dbraw/zinc/81/71/71/553817171.db2.gz SHYBTKYQFISWCN-HUUCEWRRSA-N 0 3 351.491 2.233 20 30 FEEDHN Cn1nccc1[C@H]1[C@@H](C(=O)NCCN2CCCC(C)(C)C2)CC(=O)N1C ZINC000328987011 553859450 /nfs/dbraw/zinc/85/94/50/553859450.db2.gz HFLWSKMBHCACTA-WMLDXEAASA-N 0 3 361.490 2.018 20 30 FEEDHN Cn1nccc1[C@@H]1[C@@H](C(=O)NCCN2CCCC(C)(C)C2)CC(=O)N1C ZINC000328987013 553859761 /nfs/dbraw/zinc/85/97/61/553859761.db2.gz HFLWSKMBHCACTA-YOEHRIQHSA-N 0 3 361.490 2.018 20 30 FEEDHN C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)N1CCCCCC1 ZINC000329172505 553895124 /nfs/dbraw/zinc/89/51/24/553895124.db2.gz AGHDRBOJLNWFBE-CSNJMZFVSA-N 0 3 364.534 2.291 20 30 FEEDHN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC3=CCN(C)CC3)c(C)c12 ZINC000329217734 553905019 /nfs/dbraw/zinc/90/50/19/553905019.db2.gz QQRZMEVVCFXCPC-UHFFFAOYSA-N 0 3 357.458 2.442 20 30 FEEDHN CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329255188 553911817 /nfs/dbraw/zinc/91/18/17/553911817.db2.gz DHGYOCATBKXESX-ZBFHGGJFSA-N 0 3 357.520 2.162 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)N[C@H](c2nccn2C)C2CCOCC2)CCN1C ZINC000329317966 553923912 /nfs/dbraw/zinc/92/39/12/553923912.db2.gz HYXVTOCMJNWEDD-OIISXLGYSA-N 0 3 363.506 2.216 20 30 FEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)C1 ZINC000329395762 553938248 /nfs/dbraw/zinc/93/82/48/553938248.db2.gz UDVFQQBMNRGPKG-QWFCFKBJSA-N 0 3 359.470 2.321 20 30 FEEDHN C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C1=CCN(C)CC1 ZINC000329533745 553963346 /nfs/dbraw/zinc/96/33/46/553963346.db2.gz YFERMKKRYWLKES-CQSZACIVSA-N 0 3 363.483 2.182 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000329628221 553978746 /nfs/dbraw/zinc/97/87/46/553978746.db2.gz HEBLKECTXSVDRN-XHSDSOJGSA-N 0 3 373.563 2.214 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000329701910 553991967 /nfs/dbraw/zinc/99/19/67/553991967.db2.gz HQWGXEMYXBSOOI-ZNMIVQPWSA-N 0 3 363.462 2.107 20 30 FEEDHN CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H](C)C2=CCN(C)CC2)no1 ZINC000329711947 553993575 /nfs/dbraw/zinc/99/35/75/553993575.db2.gz PGZQMMZAWFVDMQ-ZFWWWQNUSA-N 0 3 363.462 2.131 20 30 FEEDHN CCN1CCCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1=O ZINC000329869237 554022414 /nfs/dbraw/zinc/02/24/14/554022414.db2.gz YMMWGZZHPSBORL-SJLPKXTDSA-N 0 3 358.486 2.290 20 30 FEEDHN CCC1(CC)CN(CC(=O)NC2CCN(C3CC3)CC2)CC[S@]1=O ZINC000329890893 554025490 /nfs/dbraw/zinc/02/54/90/554025490.db2.gz GZQDISIEHSRDFA-XMMPIXPASA-N 0 3 355.548 2.193 20 30 FEEDHN O=C(C1CCCCC1)N1CC[C@H]([NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)C1 ZINC000329905028 554028348 /nfs/dbraw/zinc/02/83/48/554028348.db2.gz JMGMCMRBGDLPDQ-RDJZCZTQSA-N 0 3 373.501 2.130 20 30 FEEDHN O=C(C1CCCCC1)N1CC[C@H](NC([O-])=[NH+]C[C@@H]2CCc3nccn3C2)C1 ZINC000329905028 554028350 /nfs/dbraw/zinc/02/83/50/554028350.db2.gz JMGMCMRBGDLPDQ-RDJZCZTQSA-N 0 3 373.501 2.130 20 30 FEEDHN CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)c2)CC1 ZINC000329981909 554043344 /nfs/dbraw/zinc/04/33/44/554043344.db2.gz OEXNBUSYJOWZGX-KFKAGJAMSA-N 0 3 358.486 2.077 20 30 FEEDHN CC(C)(CCN1CCCCCC1)NC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000330092715 554063344 /nfs/dbraw/zinc/06/33/44/554063344.db2.gz ZBIJMMHLYHNVLH-HNNXBMFYSA-N 0 3 359.536 2.112 20 30 FEEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000330146946 554073479 /nfs/dbraw/zinc/07/34/79/554073479.db2.gz TUPORCMLFGFGOO-OLZOCXBDSA-N 0 3 357.414 2.432 20 30 FEEDHN CC(C)CN1CCC(NC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC000330151603 554074477 /nfs/dbraw/zinc/07/44/77/554074477.db2.gz NOEYKIVIAJGEAM-AWEZNQCLSA-N 0 3 360.520 2.046 20 30 FEEDHN CC(C(=O)N[C@@H]1CCOC2(CCCC2)C1)S(=O)(=O)C1CCOCC1 ZINC000330202016 554084133 /nfs/dbraw/zinc/08/41/33/554084133.db2.gz YSPGHFVFVXBEBH-ZIAGYGMSSA-N 0 3 359.488 2.417 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)COC2 ZINC000330271051 554097320 /nfs/dbraw/zinc/09/73/20/554097320.db2.gz VHSBYISGIXOTND-OAHLLOKOSA-N 0 3 359.470 2.316 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CCN1C ZINC000330291566 554100268 /nfs/dbraw/zinc/10/02/68/554100268.db2.gz GNSGOBHGZDBFBB-BRWVUGGUSA-N 0 3 358.486 2.368 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000330424126 554119884 /nfs/dbraw/zinc/11/98/84/554119884.db2.gz UEPBFILVBRCLIX-INIZCTEOSA-N 0 3 364.515 2.241 20 30 FEEDHN CC(=O)N1CC[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000330442814 554122185 /nfs/dbraw/zinc/12/21/85/554122185.db2.gz PSDUBYOGFCBGQA-HOTGVXAUSA-N 0 3 352.866 2.067 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000330568669 554138856 /nfs/dbraw/zinc/13/88/56/554138856.db2.gz WWTRGWZOGURJIS-AEFFLSMTSA-N 0 3 366.550 2.457 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCOC2)cc1 ZINC000330730691 554164124 /nfs/dbraw/zinc/16/41/24/554164124.db2.gz IFQBTCCEUTVWAK-KBPBESRZSA-N 0 3 365.455 2.263 20 30 FEEDHN Cc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1NS(C)(=O)=O ZINC000331094731 554211653 /nfs/dbraw/zinc/21/16/53/554211653.db2.gz KOPMXPFISNHFAB-INIZCTEOSA-N 0 3 371.528 2.108 20 30 FEEDHN C[C@H]1CN(C2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)CCO1 ZINC000331391200 554256568 /nfs/dbraw/zinc/25/65/68/554256568.db2.gz KBFVOQRDWSNDAO-HKUYNNGSSA-N 0 3 355.482 2.471 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H]3CN(C)C)C2)n1 ZINC000331606533 554293319 /nfs/dbraw/zinc/29/33/19/554293319.db2.gz OQTQTMJJMZSTFR-ZWKOTPCHSA-N 0 3 355.486 2.031 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@@H]1N1CCCC1 ZINC000331611816 554294705 /nfs/dbraw/zinc/29/47/05/554294705.db2.gz WCBDACBWZRQXBZ-QILLFSRXSA-N 0 3 359.495 2.364 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000331629943 554297953 /nfs/dbraw/zinc/29/79/53/554297953.db2.gz SHCKQRXAALIPHA-JTJHWIPRSA-N 0 3 367.449 2.019 20 30 FEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000332210361 554401597 /nfs/dbraw/zinc/40/15/97/554401597.db2.gz GLVFBJAAVAXXPJ-KRWDZBQOSA-N 0 3 370.563 2.301 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1C(F)(F)F ZINC000332302075 554420800 /nfs/dbraw/zinc/42/08/00/554420800.db2.gz KWPYXYWMAGZOJY-CABCVRRESA-N 0 3 373.400 2.482 20 30 FEEDHN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)C(C)C#N)CC3)n2)cc1 ZINC000510361117 561832449 /nfs/dbraw/zinc/83/24/49/561832449.db2.gz IKNVRNDLACXBOS-GJZGRUSLSA-N 0 3 353.426 2.410 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)C2)n1 ZINC000333055687 554565793 /nfs/dbraw/zinc/56/57/93/554565793.db2.gz MDUYQCQIKWDSIK-RYQLBKOJSA-N 0 3 367.497 2.220 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000359991565 554858118 /nfs/dbraw/zinc/85/81/18/554858118.db2.gz DWXWACRMNBWOTK-VGWMRTNUSA-N 0 3 351.491 2.302 20 30 FEEDHN COCCN(C)CCCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000361789077 554935012 /nfs/dbraw/zinc/93/50/12/554935012.db2.gz OIIXRISPCPTXQT-UHFFFAOYSA-N 0 3 356.470 2.325 20 30 FEEDHN O[C@H]1CCC[C@@H]1N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000362154150 554952671 /nfs/dbraw/zinc/95/26/71/554952671.db2.gz ICDZCWAQCSNKPM-ROUUACIJSA-N 0 3 368.399 2.468 20 30 FEEDHN C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@H]1N1CCN(C)CC1 ZINC000362660266 554979377 /nfs/dbraw/zinc/97/93/77/554979377.db2.gz VSDSOFKIJSULDH-OXQOHEQNSA-N 0 3 353.514 2.294 20 30 FEEDHN N#CCCn1cc(CNC[C@@H]2CN3CCC[C@@H]3CO2)c(-c2ccccc2)n1 ZINC000362719981 554983650 /nfs/dbraw/zinc/98/36/50/554983650.db2.gz QSEXEWYMBLTIPS-WOJBJXKFSA-N 0 3 365.481 2.417 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000362878729 554995513 /nfs/dbraw/zinc/99/55/13/554995513.db2.gz SKXCFVFWTUIXNB-GOSISDBHSA-N 0 3 367.497 2.245 20 30 FEEDHN C=CCN1CCC(NC(=O)C2CCN(C(=O)c3ccc(CC)o3)CC2)CC1 ZINC000363255630 555064919 /nfs/dbraw/zinc/06/49/19/555064919.db2.gz ANDNMHDUBPXTNE-UHFFFAOYSA-N 0 3 373.497 2.461 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000363382744 555091189 /nfs/dbraw/zinc/09/11/89/555091189.db2.gz ZUMXHEPVDTVCCN-SFHVURJKSA-N 0 3 357.498 2.351 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000363501104 555121579 /nfs/dbraw/zinc/12/15/79/555121579.db2.gz ULQODMFTRQVUCR-QGZVFWFLSA-N 0 3 354.454 2.364 20 30 FEEDHN N#CCOc1ccc(/C=C/C(=O)N2CCCN(C3CCOCC3)CC2)cc1 ZINC000363656473 555156798 /nfs/dbraw/zinc/15/67/98/555156798.db2.gz ZGTFYCPNBZLWGN-QPJJXVBHSA-N 0 3 369.465 2.315 20 30 FEEDHN CS[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000363689818 555164998 /nfs/dbraw/zinc/16/49/98/555164998.db2.gz OQKIQYMRYJDMEP-ROUUACIJSA-N 0 3 355.511 2.436 20 30 FEEDHN C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1=CCN(C)CC1 ZINC000363717301 555170731 /nfs/dbraw/zinc/17/07/31/555170731.db2.gz RXEFPNLTGMBAQH-CYBMUJFWSA-N 0 3 368.416 2.655 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000364122121 555254371 /nfs/dbraw/zinc/25/43/71/555254371.db2.gz AGBAAJIVODOZSQ-IRXDYDNUSA-N 0 3 372.469 2.410 20 30 FEEDHN CCN1CCN([C@H](C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000512333991 561900976 /nfs/dbraw/zinc/90/09/76/561900976.db2.gz LUKFPJXGAAOIBY-OAHLLOKOSA-N 0 3 360.477 2.117 20 30 FEEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000365187265 555505448 /nfs/dbraw/zinc/50/54/48/555505448.db2.gz RIUDYVSVPWBCQS-QWHCGFSZSA-N 0 3 366.368 2.144 20 30 FEEDHN CN(Cc1ccc(C#N)c(F)c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000365234963 555519055 /nfs/dbraw/zinc/51/90/55/555519055.db2.gz QZOBZXGDGHPSGY-UHFFFAOYSA-N 0 3 358.461 2.216 20 30 FEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C1CCN(c2ccccn2)CC1 ZINC000365767688 555663172 /nfs/dbraw/zinc/66/31/72/555663172.db2.gz YQMUHYNOVCAONL-UHFFFAOYSA-N 0 3 363.465 2.170 20 30 FEEDHN N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000366206865 555782196 /nfs/dbraw/zinc/78/21/96/555782196.db2.gz ZIKCVVQQFXTQOO-CZYKHXBRSA-N 0 3 370.456 2.487 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccncc2OCC(F)(F)F)CC1 ZINC000514231183 561964815 /nfs/dbraw/zinc/96/48/15/561964815.db2.gz UAZVJDYWCBDUSS-UHFFFAOYSA-N 0 3 372.391 2.472 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000367454801 556054197 /nfs/dbraw/zinc/05/41/97/556054197.db2.gz WVPRQKUVDQWMSI-INIZCTEOSA-N 0 3 355.486 2.499 20 30 FEEDHN C=C(Cl)CNC(=O)c1nnn(-c2cccc3c2CCN(CC)C3)c1C ZINC000368525216 556335204 /nfs/dbraw/zinc/33/52/04/556335204.db2.gz BXGNGMSVPRQZIH-UHFFFAOYSA-N 0 3 359.861 2.436 20 30 FEEDHN CCCN1CCN(C2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000368798230 556415642 /nfs/dbraw/zinc/41/56/42/556415642.db2.gz DZNWELLHPNQMQZ-UHFFFAOYSA-N 0 3 358.461 2.330 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368999730 556472327 /nfs/dbraw/zinc/47/23/27/556472327.db2.gz GEXIKKJXYQIWGX-OAHLLOKOSA-N 0 3 368.397 2.329 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000532174724 562469771 /nfs/dbraw/zinc/46/97/71/562469771.db2.gz ZJMFQLQYFCUHQC-UHFFFAOYSA-N 0 3 359.396 2.285 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369064122 556494383 /nfs/dbraw/zinc/49/43/83/556494383.db2.gz LYTZYQVDMPERPS-HNNXBMFYSA-N 0 3 356.470 2.341 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000369064122 556494386 /nfs/dbraw/zinc/49/43/86/556494386.db2.gz LYTZYQVDMPERPS-HNNXBMFYSA-N 0 3 356.470 2.341 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000369289643 556566126 /nfs/dbraw/zinc/56/61/26/556566126.db2.gz CCBBXVHQZFNQRF-IRXDYDNUSA-N 0 3 363.396 2.170 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC3CCOCC3)CC2)cc1 ZINC000369306073 556570184 /nfs/dbraw/zinc/57/01/84/556570184.db2.gz OBEORPNMKVQCLA-GOSISDBHSA-N 0 3 367.449 2.427 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000369424131 556597123 /nfs/dbraw/zinc/59/71/23/556597123.db2.gz IAMNKRFXFBJFFA-GOSISDBHSA-N 0 3 371.456 2.091 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)CC1 ZINC000369715803 556676286 /nfs/dbraw/zinc/67/62/86/556676286.db2.gz XCICGWRRNPTYJL-UHFFFAOYSA-N 0 3 369.437 2.333 20 30 FEEDHN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000369721994 556677696 /nfs/dbraw/zinc/67/76/96/556677696.db2.gz IADOOJDUVWQIMB-IPMKNSEASA-N 0 3 367.449 2.019 20 30 FEEDHN C=CCC[C@@H](O)CN1CCCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000370494443 556889715 /nfs/dbraw/zinc/88/97/15/556889715.db2.gz DRKXSFREHJHDTF-HZPDHXFCSA-N 0 3 352.479 2.002 20 30 FEEDHN CN1CC[C@H](NCC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000370730951 556952336 /nfs/dbraw/zinc/95/23/36/556952336.db2.gz RSAPHHQBFPSGGZ-FPOVZHCZSA-N 0 3 366.440 2.349 20 30 FEEDHN N#C[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCN1C1CC1 ZINC000370990707 557037978 /nfs/dbraw/zinc/03/79/78/557037978.db2.gz IGVNHTFQZUOUPE-PXNSSMCTSA-N 0 3 370.472 2.236 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](c2nccn2C)c2ccccc2)CC1 ZINC000519294906 562128784 /nfs/dbraw/zinc/12/87/84/562128784.db2.gz SOZVWEPIYRLOGZ-SFHVURJKSA-N 0 3 353.470 2.459 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000372715902 557545165 /nfs/dbraw/zinc/54/51/65/557545165.db2.gz KTXIUJCSJVKQQY-OAHLLOKOSA-N 0 3 372.517 2.002 20 30 FEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000372728951 557548595 /nfs/dbraw/zinc/54/85/95/557548595.db2.gz JZAGAZPNEVRTEM-AZUAARDMSA-N 0 3 352.482 2.123 20 30 FEEDHN COc1cc(CNC(=O)NCC(C)(C)N2CCC(OC)CC2)ccc1C#N ZINC000519677624 562139580 /nfs/dbraw/zinc/13/95/80/562139580.db2.gz UFEJKBJIJVTDBJ-UHFFFAOYSA-N 0 3 374.485 2.255 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000372863302 557577957 /nfs/dbraw/zinc/57/79/57/557577957.db2.gz MNYJYVXIFRXMDB-LSTHTHJFSA-N 0 3 371.481 2.137 20 30 FEEDHN CN1CCC(n2ccc(=NC(=O)CSc3ccc(C#N)cc3)[nH]2)CC1 ZINC000373293877 557667351 /nfs/dbraw/zinc/66/73/51/557667351.db2.gz PNDBIQDSNCBBOC-UHFFFAOYSA-N 0 3 355.467 2.752 20 30 FEEDHN C[C@@H]1NCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H]1C ZINC000520204343 562150504 /nfs/dbraw/zinc/15/05/04/562150504.db2.gz ANVIPQQQQNMIBS-JCAIJIATSA-N 0 3 357.458 2.035 20 30 FEEDHN N#Cc1csc(CNc2ccc3nc(CCN4CCOCC4)[nH]c3c2)n1 ZINC000520292820 562152636 /nfs/dbraw/zinc/15/26/36/562152636.db2.gz JCVITSIBRXCQJE-UHFFFAOYSA-N 0 3 368.466 2.378 20 30 FEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000373703179 557742178 /nfs/dbraw/zinc/74/21/78/557742178.db2.gz SXKALUKGYLZGDU-SFHLNBCPSA-N 0 3 367.449 2.427 20 30 FEEDHN CC[C@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)N1CCCC1 ZINC000373708606 557742841 /nfs/dbraw/zinc/74/28/41/557742841.db2.gz PYFDRCQKYLUVAX-RTBURBONSA-N 0 3 368.481 2.040 20 30 FEEDHN CC(C)n1nc2c(cc1=O)CN(CCC(=O)Nc1ccccc1C#N)CC2 ZINC000374235808 557848351 /nfs/dbraw/zinc/84/83/51/557848351.db2.gz QSJXCFPJTGQLTC-UHFFFAOYSA-N 0 3 365.437 2.083 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000374307721 557862864 /nfs/dbraw/zinc/86/28/64/557862864.db2.gz IGHOHYZXQNQWOH-ROUUACIJSA-N 0 3 365.433 2.160 20 30 FEEDHN COC(=O)[C@]12CCC[C@@H]1CN([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000374645886 557911432 /nfs/dbraw/zinc/91/14/32/557911432.db2.gz KCKWEICNXAZWBF-GLJUWKHASA-N 0 3 359.451 2.000 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2c(F)cccc2F)CC1 ZINC000521416227 562175963 /nfs/dbraw/zinc/17/59/63/562175963.db2.gz KJTMTUUUISBIOY-ZDUSSCGKSA-N 0 3 365.424 2.251 20 30 FEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)cc1 ZINC000375517548 558041510 /nfs/dbraw/zinc/04/15/10/558041510.db2.gz VZHXFZQJLABRHR-JNAXZKDPSA-N 0 3 352.438 2.103 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000375691576 558068260 /nfs/dbraw/zinc/06/82/60/558068260.db2.gz XFBYDUYSIFWKJW-JSGCOSHPSA-N 0 3 353.875 2.459 20 30 FEEDHN N#Cc1ccc(N2CCC(C(=O)N3CCN4CCC3CC4)CC2)c(F)c1 ZINC000376088478 558125128 /nfs/dbraw/zinc/12/51/28/558125128.db2.gz ZDHVEOGTOUXLQE-UHFFFAOYSA-N 0 3 356.445 2.220 20 30 FEEDHN C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000376107510 558128000 /nfs/dbraw/zinc/12/80/00/558128000.db2.gz UKRXJLFUSLSOPF-KDOFPFPSSA-N 0 3 360.889 2.310 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](C3CC3)C2)cc1 ZINC000376588852 558194602 /nfs/dbraw/zinc/19/46/02/558194602.db2.gz OORLDIGGYDDXPM-WBMJQRKESA-N 0 3 363.439 2.015 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000376837119 558227866 /nfs/dbraw/zinc/22/78/66/558227866.db2.gz ROAWPSMZMPSBLF-NVXWUHKLSA-N 0 3 358.442 2.141 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)O[C@]3(CCOC3)C2)CC1 ZINC000377075203 558260632 /nfs/dbraw/zinc/26/06/32/558260632.db2.gz XRONSJPFMRRLDU-IEBWSBKVSA-N 0 3 351.491 2.006 20 30 FEEDHN C=CCN(C(=O)c1ccn(C)c(=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000377571708 558368173 /nfs/dbraw/zinc/36/81/73/558368173.db2.gz DOMDFIIOAQYIID-LJQANCHMSA-N 0 3 351.450 2.288 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H](c3nnc[nH]3)C1)CCC2 ZINC000378001388 558460507 /nfs/dbraw/zinc/46/05/07/558460507.db2.gz RHTVHMACGLZRPU-GFCCVEGCSA-N 0 3 370.482 2.435 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CCN1C1CCN(C)CC1 ZINC000378365523 558540180 /nfs/dbraw/zinc/54/01/80/558540180.db2.gz KRDYTSWYHPROHW-AWEZNQCLSA-N 0 3 359.449 2.330 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000378463437 558563172 /nfs/dbraw/zinc/56/31/72/558563172.db2.gz QLTOTZZCIKUZED-PGRDOPGGSA-N 0 3 368.525 2.075 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CCN(C)[C@@H](C)C3)C2)n1 ZINC000408288364 558664240 /nfs/dbraw/zinc/66/42/40/558664240.db2.gz XKIJDSMFHFQQST-SZMVWBNQSA-N 0 3 355.486 2.077 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000409575359 558704607 /nfs/dbraw/zinc/70/46/07/558704607.db2.gz QSFIQLJGKOADCU-UHFFFAOYSA-N 0 3 364.515 2.029 20 30 FEEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)N(CC)CCC#N ZINC000409581053 558705081 /nfs/dbraw/zinc/70/50/81/558705081.db2.gz JHPWWMIRTUBORX-UHFFFAOYSA-N 0 3 366.531 2.311 20 30 FEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000410137715 558741519 /nfs/dbraw/zinc/74/15/19/558741519.db2.gz NYWWQJJXGIXGIJ-HOTGVXAUSA-N 0 3 366.531 2.432 20 30 FEEDHN N#Cc1ccc(OCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000525262199 562244303 /nfs/dbraw/zinc/24/43/03/562244303.db2.gz YSHZGQNUCCYLOM-LJQANCHMSA-N 0 3 364.449 2.360 20 30 FEEDHN C=CCN(C)CCN(CC)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000411642291 558934757 /nfs/dbraw/zinc/93/47/57/558934757.db2.gz MQJVCJSMNVBNBW-UHFFFAOYSA-N 0 3 359.453 2.276 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000411644271 558934815 /nfs/dbraw/zinc/93/48/15/558934815.db2.gz QXOWCWCWZOUOSP-UHFFFAOYSA-N 0 3 358.486 2.190 20 30 FEEDHN CN(CCN1CCCC1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000525861888 562257703 /nfs/dbraw/zinc/25/77/03/562257703.db2.gz FOTRUJGNONJIEJ-UHFFFAOYSA-N 0 3 371.485 2.380 20 30 FEEDHN COC(=O)[C@@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000413273865 559094348 /nfs/dbraw/zinc/09/43/48/559094348.db2.gz ZDIBUXGKGKECNB-ZWKOTPCHSA-N 0 3 357.454 2.038 20 30 FEEDHN C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1cnn(C)c1 ZINC000413274682 559094716 /nfs/dbraw/zinc/09/47/16/559094716.db2.gz ZUDWRBCLBYXHRR-MRXNPFEDSA-N 0 3 353.470 2.376 20 30 FEEDHN Cc1cc(NCC(=O)NCCN2CCCCCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413294547 559096327 /nfs/dbraw/zinc/09/63/27/559096327.db2.gz BIYWXIJFXWNSHE-UHFFFAOYSA-N 0 3 359.430 2.179 20 30 FEEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000414163475 559151303 /nfs/dbraw/zinc/15/13/03/559151303.db2.gz ITGMHODVKGJBNZ-OAHLLOKOSA-N 0 3 365.499 2.298 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCCN3)CC1 ZINC000414817675 559189433 /nfs/dbraw/zinc/18/94/33/559189433.db2.gz STDVLOZVWSVHHC-UHFFFAOYSA-N 0 3 356.470 2.140 20 30 FEEDHN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415140277 559208089 /nfs/dbraw/zinc/20/80/89/559208089.db2.gz YKDMPHNLOJAJKT-UHFFFAOYSA-N 0 3 372.469 2.286 20 30 FEEDHN COc1cc([C@H](C#N)NC(=O)C23CCCN2CCC3)cc(OC)c1OC ZINC000415374513 559228630 /nfs/dbraw/zinc/22/86/30/559228630.db2.gz IZMHNSXLCOYQRJ-AWEZNQCLSA-N 0 3 359.426 2.022 20 30 FEEDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000415505110 559244568 /nfs/dbraw/zinc/24/45/68/559244568.db2.gz XDATYVZBLHKHOM-AWEZNQCLSA-N 0 3 371.466 2.254 20 30 FEEDHN C[C@@H](CN)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000415638078 559257325 /nfs/dbraw/zinc/25/73/25/559257325.db2.gz CPTAVDLCTKZDNR-VIFPVBQESA-N 0 3 374.388 2.113 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416660353 559328221 /nfs/dbraw/zinc/32/82/21/559328221.db2.gz JXDMBVPGCCSWRT-UHFFFAOYSA-N 0 3 351.472 2.062 20 30 FEEDHN N#C[C@H]1CN(C(=O)NC[C@@H](N)c2ccccc2)CCN1Cc1ccccc1 ZINC000418456544 559402374 /nfs/dbraw/zinc/40/23/74/559402374.db2.gz TVKXRVFIWRKAJC-VQTJNVASSA-N 0 3 363.465 2.106 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)NC[C@H](N)c3ccccc3)CC2)c(F)c1 ZINC000418456793 559402407 /nfs/dbraw/zinc/40/24/07/559402407.db2.gz UIEZQLFMJSRPLP-SFHVURJKSA-N 0 3 367.428 2.229 20 30 FEEDHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCC#Cc2ccccc2)cc1 ZINC000419116832 559429091 /nfs/dbraw/zinc/42/90/91/559429091.db2.gz PFJLCQCTECZKMU-FQEVSTJZSA-N 0 3 363.461 2.094 20 30 FEEDHN C=CCC[C@@H](NC(=O)C(=O)N(C)CCN)c1ccc(C(F)(F)F)cc1 ZINC000419470103 559444090 /nfs/dbraw/zinc/44/40/90/559444090.db2.gz DYWYCSMDIKYMJO-CQSZACIVSA-N 0 3 357.376 2.246 20 30 FEEDHN N#Cc1ccc(CN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C2CC2)cc1 ZINC000419962861 559466573 /nfs/dbraw/zinc/46/65/73/559466573.db2.gz HCKNNQOALGRTFT-IBGZPJMESA-N 0 3 368.481 2.073 20 30 FEEDHN C=CCC[C@H]1NC(=O)N(Cc2ccccc2CN2CCC(O)CC2)C1=O ZINC000419984520 559467646 /nfs/dbraw/zinc/46/76/46/559467646.db2.gz VRMSRKYSPLBGBL-GOSISDBHSA-N 0 3 357.454 2.030 20 30 FEEDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000420011278 559468786 /nfs/dbraw/zinc/46/87/86/559468786.db2.gz HUFUPHCLCVIGRN-FQEVSTJZSA-N 0 3 368.437 2.178 20 30 FEEDHN COC1([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)CCOCC1 ZINC000421030904 559520709 /nfs/dbraw/zinc/52/07/09/559520709.db2.gz JWUUHJDNVGDKFJ-LBPRGKRZSA-N 0 3 351.834 2.324 20 30 FEEDHN CN(CCOc1ccc(Br)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424073017 559653700 /nfs/dbraw/zinc/65/37/00/559653700.db2.gz DUKZPRUDAAMWFB-AWEZNQCLSA-N 0 3 354.248 2.307 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000424100084 559654733 /nfs/dbraw/zinc/65/47/33/559654733.db2.gz HDIKLGQAADKADO-MRXNPFEDSA-N 0 3 362.861 2.036 20 30 FEEDHN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424115752 559655290 /nfs/dbraw/zinc/65/52/90/559655290.db2.gz VTRSQCHFLYSNKH-HNNXBMFYSA-N 0 3 360.483 2.144 20 30 FEEDHN COC(=O)COc1ccc(NC(=O)[C@@H](N)CCCC#N)c2ccccc12 ZINC000424128657 559655653 /nfs/dbraw/zinc/65/56/53/559655653.db2.gz RRCIVLIAZMGJLE-HNNXBMFYSA-N 0 3 355.394 2.351 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000424143944 559656044 /nfs/dbraw/zinc/65/60/44/559656044.db2.gz KHJBQZYYBMDRCE-CQSZACIVSA-N 0 3 352.394 2.479 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000424738437 559675213 /nfs/dbraw/zinc/67/52/13/559675213.db2.gz YWLVWHPJZGPIGF-NSHGMRRFSA-N 0 3 357.454 2.008 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000425389021 559699720 /nfs/dbraw/zinc/69/97/20/559699720.db2.gz TUJVVXUJLVGEBF-IERDGZPVSA-N 0 3 368.481 2.022 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425874534 559723685 /nfs/dbraw/zinc/72/36/85/559723685.db2.gz RMLOTUPANMVMNN-HZPDHXFCSA-N 0 3 356.470 2.068 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425889713 559724178 /nfs/dbraw/zinc/72/41/78/559724178.db2.gz VHYYWUAXRSXDKM-YJBOKZPZSA-N 0 3 356.470 2.068 20 30 FEEDHN CN(C)CCOc1ccc(CCNC(=O)CNc2cccc(C#N)c2)cc1 ZINC000426449370 559734657 /nfs/dbraw/zinc/73/46/57/559734657.db2.gz HOEDHVUGJJPHAG-UHFFFAOYSA-N 0 3 366.465 2.269 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)c2ccccc2)cc1 ZINC000429947804 559809471 /nfs/dbraw/zinc/80/94/71/559809471.db2.gz UTYXRPJMVMOCQJ-GUYCJALGSA-N 0 3 373.434 2.227 20 30 FEEDHN COc1cc(C#N)ccc1OCCN[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000431965796 559849587 /nfs/dbraw/zinc/84/95/87/559849587.db2.gz MESKGWOARNJKIG-QFBILLFUSA-N 0 3 356.426 2.107 20 30 FEEDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432865467 559866653 /nfs/dbraw/zinc/86/66/53/559866653.db2.gz IOYBUEZFYQLJJW-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN CC(C#N)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000433245895 559874674 /nfs/dbraw/zinc/87/46/74/559874674.db2.gz JYFDHGBCGYVUGL-NSHDSACASA-N 0 3 352.232 2.062 20 30 FEEDHN CCc1nc(CN2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)no1 ZINC000433356621 559878299 /nfs/dbraw/zinc/87/82/99/559878299.db2.gz UUJFGZGVRHNMQH-KRWDZBQOSA-N 0 3 367.453 2.049 20 30 FEEDHN CCOC(=O)CC1(NCCS(=O)(=O)c2cccc(C#N)c2)CCCC1 ZINC000434616867 559903680 /nfs/dbraw/zinc/90/36/80/559903680.db2.gz RTXCKVOUXNLHDU-UHFFFAOYSA-N 0 3 364.467 2.188 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCCC[C@H]1C ZINC000434729777 559907852 /nfs/dbraw/zinc/90/78/52/559907852.db2.gz ZEPKTUYUEXOHGI-CABCVRRESA-N 0 3 373.501 2.432 20 30 FEEDHN COC(=O)[C@H]1CC[C@@H](NCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435283619 559919318 /nfs/dbraw/zinc/91/93/18/559919318.db2.gz ZSBQLJOTQWVCCK-DOTOQJQBSA-N 0 3 353.426 2.290 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)c2cc(C#N)oc2C)c1 ZINC000435679316 559927862 /nfs/dbraw/zinc/92/78/62/559927862.db2.gz YCAZDVNCCDWMOB-UHFFFAOYSA-N 0 3 371.437 2.347 20 30 FEEDHN COc1cc(CNC(=O)c2cc(C#N)oc2C)ccc1OCCN(C)C ZINC000435680552 559927967 /nfs/dbraw/zinc/92/79/67/559927967.db2.gz GPCFDIVCJONYHE-UHFFFAOYSA-N 0 3 357.410 2.339 20 30 FEEDHN Cc1cc(CNCCN(C)S(=O)(=O)c2ccc(F)cc2)ccc1C#N ZINC000435735819 559929063 /nfs/dbraw/zinc/92/90/63/559929063.db2.gz QOHCAGRQEDUVAA-UHFFFAOYSA-N 0 3 361.442 2.416 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000436130542 559935894 /nfs/dbraw/zinc/93/58/94/559935894.db2.gz XPRJVULEJQGKRP-UHFFFAOYSA-N 0 3 366.421 2.409 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000437499546 559965158 /nfs/dbraw/zinc/96/51/58/559965158.db2.gz VLLRQBFLXRSYIC-WIYYLYMNSA-N 0 3 357.498 2.296 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000438334686 559977514 /nfs/dbraw/zinc/97/75/14/559977514.db2.gz MPMRZHSGGLLDLX-WBVHZDCISA-N 0 3 352.442 2.754 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000439455548 559994205 /nfs/dbraw/zinc/99/42/05/559994205.db2.gz VGCDYBQVZUBHHS-INIZCTEOSA-N 0 3 372.469 2.132 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@](COC)(C(=O)OCC)C1 ZINC000439479463 559995237 /nfs/dbraw/zinc/99/52/37/559995237.db2.gz SKDZLXDUEBXRPX-LPHOPBHVSA-N 0 3 354.491 2.091 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)c(OCCN(C)C)c1 ZINC000441903719 560040672 /nfs/dbraw/zinc/04/06/72/560040672.db2.gz DLSXQWFVRCCDDO-OAHLLOKOSA-N 0 3 372.469 2.025 20 30 FEEDHN CC(C)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)n1)N1CCN(C)CC1 ZINC000443440622 560083953 /nfs/dbraw/zinc/08/39/53/560083953.db2.gz SRBRAGHTLQFNBA-OAHLLOKOSA-N 0 3 355.408 2.656 20 30 FEEDHN Cc1cc(CNC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)ccc1C#N ZINC000443988881 560098570 /nfs/dbraw/zinc/09/85/70/560098570.db2.gz PKXHDZNOCHAAPT-GOSISDBHSA-N 0 3 365.433 2.281 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3ccccc3C#N)C2)CC1 ZINC000449497096 560231948 /nfs/dbraw/zinc/23/19/48/560231948.db2.gz KEAOZNHGBYENCZ-LJQANCHMSA-N 0 3 354.498 2.324 20 30 FEEDHN CN(CCN1CCCC1)C(=O)COc1cccc(Br)c1C#N ZINC000449840213 560242096 /nfs/dbraw/zinc/24/20/96/560242096.db2.gz PJZDTHKPFQZTOZ-UHFFFAOYSA-N 0 3 366.259 2.254 20 30 FEEDHN C=CCNC(=O)CN1CCN(c2ccnc3ccc(OC(C)C)cc32)CC1 ZINC000450233848 560255008 /nfs/dbraw/zinc/25/50/08/560255008.db2.gz PABJSGMAPZYQBK-UHFFFAOYSA-N 0 3 368.481 2.446 20 30 FEEDHN N#Cc1cccc(NC[C@@H](O)CN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000450244071 560255373 /nfs/dbraw/zinc/25/53/73/560255373.db2.gz UAPZESLBLJZYJG-QGZVFWFLSA-N 0 3 352.394 2.298 20 30 FEEDHN COc1cc(OC)c2ncc(C#N)c(NC[C@@H]3CCCN3CCCO)c2c1 ZINC000450588522 560267215 /nfs/dbraw/zinc/26/72/15/560267215.db2.gz BOEAFSYRDIDQRD-HNNXBMFYSA-N 0 3 370.453 2.382 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540757 560313195 /nfs/dbraw/zinc/31/31/95/560313195.db2.gz XFJNYFRQPZICMN-IBGZPJMESA-N 0 3 372.488 2.464 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540759 560313354 /nfs/dbraw/zinc/31/33/54/560313354.db2.gz XFJNYFRQPZICMN-LJQANCHMSA-N 0 3 372.488 2.464 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000451597491 560316701 /nfs/dbraw/zinc/31/67/01/560316701.db2.gz IQBOLMAPSNPVNM-CVEARBPZSA-N 0 3 360.845 2.456 20 30 FEEDHN CC(C)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CO)C(C)C ZINC000451603889 560317053 /nfs/dbraw/zinc/31/70/53/560317053.db2.gz XURNTQZNAYPJGD-ZWKOTPCHSA-N 0 3 352.500 2.211 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000451886291 560334785 /nfs/dbraw/zinc/33/47/85/560334785.db2.gz CWDQJOFULFTYHC-HNNXBMFYSA-N 0 3 352.523 2.219 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000453573334 560389111 /nfs/dbraw/zinc/38/91/11/560389111.db2.gz IKNZZVYGJJJDCV-LJQANCHMSA-N 0 3 364.449 2.094 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453613682 560391238 /nfs/dbraw/zinc/39/12/38/560391238.db2.gz NUJKAAMYSJLPHN-OAGGEKHMSA-N 0 3 356.470 2.174 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)N(C)C1CC1 ZINC000453659855 560394253 /nfs/dbraw/zinc/39/42/53/560394253.db2.gz VZPQXZGKXVPIBI-ZDUSSCGKSA-N 0 3 372.469 2.273 20 30 FEEDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453714844 560398938 /nfs/dbraw/zinc/39/89/38/560398938.db2.gz QSHFJLRXDZKOON-GJZGRUSLSA-N 0 3 374.872 2.430 20 30 FEEDHN CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000453741234 560400918 /nfs/dbraw/zinc/40/09/18/560400918.db2.gz APYTWUKSEYGZFY-UHFFFAOYSA-N 0 3 371.485 2.315 20 30 FEEDHN C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CCN(C2CCC2)C1 ZINC000453768152 560402823 /nfs/dbraw/zinc/40/28/23/560402823.db2.gz UFUXNDDRDHHDMV-OAHLLOKOSA-N 0 3 354.454 2.024 20 30 FEEDHN C=C(C)CCNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000453900707 560411783 /nfs/dbraw/zinc/41/17/83/560411783.db2.gz ZWFAJBZJZQTLCX-UHFFFAOYSA-N 0 3 370.497 2.240 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@@H]2CCOC2)cc1 ZINC000455248567 560475665 /nfs/dbraw/zinc/47/56/65/560475665.db2.gz HGECRRVJLGXVGY-UONOGXRCSA-N 0 3 365.455 2.311 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455550395 560486679 /nfs/dbraw/zinc/48/66/79/560486679.db2.gz VZCAOTSFMZRORK-AWEZNQCLSA-N 0 3 360.433 2.092 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)Nc2cccc(CC#N)c2)ccn1 ZINC000455899418 560499593 /nfs/dbraw/zinc/49/95/93/560499593.db2.gz AJBNFGXSUNBZPT-UHFFFAOYSA-N 0 3 353.426 2.410 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)CCN1C1CCN(C)CC1 ZINC000455906082 560499860 /nfs/dbraw/zinc/49/98/60/560499860.db2.gz MWNRLTOJDXLIHH-INIZCTEOSA-N 0 3 355.486 2.385 20 30 FEEDHN CN(C)CC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000457256081 560558741 /nfs/dbraw/zinc/55/87/41/560558741.db2.gz YNAIWSIYMDJCNN-CYBMUJFWSA-N 0 3 362.861 2.021 20 30 FEEDHN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000459006950 560661490 /nfs/dbraw/zinc/66/14/90/560661490.db2.gz JFCGQOYWKONRRN-OJAHFUOMSA-N 0 3 370.497 2.251 20 30 FEEDHN CC(C)(CC#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000459257790 560676518 /nfs/dbraw/zinc/67/65/18/560676518.db2.gz KOROTWYWFAFNNR-ROUUACIJSA-N 0 3 358.486 2.108 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CNC2(CO)CCSCC2)c1 ZINC000459716978 560704086 /nfs/dbraw/zinc/70/40/86/560704086.db2.gz SNCILXCSXKBXGK-UHFFFAOYSA-N 0 3 361.511 2.398 20 30 FEEDHN N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000461482733 560773688 /nfs/dbraw/zinc/77/36/88/560773688.db2.gz SBFWOPNIZREIHS-RTBURBONSA-N 0 3 372.488 2.389 20 30 FEEDHN COc1cc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000461791123 560783851 /nfs/dbraw/zinc/78/38/51/560783851.db2.gz LVBKWCLLHJBFKK-GFCCVEGCSA-N 0 3 372.337 2.261 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H]3CCC[C@H]3C#N)cc2)CC1 ZINC000461943024 560789111 /nfs/dbraw/zinc/78/91/11/560789111.db2.gz VNDIKJHULVAGLX-PMACEKPBSA-N 0 3 369.513 2.316 20 30 FEEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000461954022 560789443 /nfs/dbraw/zinc/78/94/43/560789443.db2.gz FKLNRRPYHVSYAA-HKUYNNGSSA-N 0 3 356.470 2.135 20 30 FEEDHN N#CCc1ccc(CN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000466355733 560884846 /nfs/dbraw/zinc/88/48/46/560884846.db2.gz JYOYCLVFQIENSL-QFIPXVFZSA-N 0 3 374.444 2.449 20 30 FEEDHN COc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000470838792 560991134 /nfs/dbraw/zinc/99/11/34/560991134.db2.gz CHRINSYILHAXEY-MRXNPFEDSA-N 0 3 364.361 2.474 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCNC(=O)c2ccccc2)cc1 ZINC000470895037 560993086 /nfs/dbraw/zinc/99/30/86/560993086.db2.gz QHPHGDNDOCRSLC-LJQANCHMSA-N 0 3 360.417 2.177 20 30 FEEDHN CCO[C@H](C)c1noc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000470972498 560995531 /nfs/dbraw/zinc/99/55/31/560995531.db2.gz WPGUBCMOUQFYKN-CZUORRHYSA-N 0 3 367.409 2.380 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000471111560 560998445 /nfs/dbraw/zinc/99/84/45/560998445.db2.gz CGCLTXAKFUSTMR-LJQANCHMSA-N 0 3 358.401 2.069 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nccn2CC(F)(F)F)cc1 ZINC000472025877 561016347 /nfs/dbraw/zinc/01/63/47/561016347.db2.gz QQYDZBRGTOTRIR-AWEZNQCLSA-N 0 3 361.327 2.316 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000472999303 561039933 /nfs/dbraw/zinc/03/99/33/561039933.db2.gz ITUDENSZYFVRAQ-ROUUACIJSA-N 0 3 350.507 2.068 20 30 FEEDHN CN(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1 ZINC000473911100 561060493 /nfs/dbraw/zinc/06/04/93/561060493.db2.gz NSNTUYIZWJSBQJ-INIZCTEOSA-N 0 3 353.463 2.486 20 30 FEEDHN Cn1ncc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1C#N ZINC000474788228 561082846 /nfs/dbraw/zinc/08/28/46/561082846.db2.gz QDKRCLBLQOPZPO-MRXNPFEDSA-N 0 3 365.437 2.010 20 30 FEEDHN Cn1ncc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1C#N ZINC000476240019 561114312 /nfs/dbraw/zinc/11/43/12/561114312.db2.gz RXZMLHBBMUSOIK-NRFANRHFSA-N 0 3 363.465 2.420 20 30 FEEDHN CN(C)CCOCCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000476298014 561115814 /nfs/dbraw/zinc/11/58/14/561115814.db2.gz SFGNVADUSFWTBD-UHFFFAOYSA-N 0 3 367.449 2.445 20 30 FEEDHN CC1CCC(N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000528385133 562326151 /nfs/dbraw/zinc/32/61/51/562326151.db2.gz WMTWLKFARONCLD-LYBXBRPPSA-N 0 3 357.498 2.494 20 30 FEEDHN C[C@H]1N(CC#CCN2C(=O)c3ccccc3C2=O)CCC12CCOCC2 ZINC000528447189 562329806 /nfs/dbraw/zinc/32/98/06/562329806.db2.gz XGURWPKLEUYNQV-MRXNPFEDSA-N 0 3 352.434 2.177 20 30 FEEDHN CC1(C)[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@@H]2CCCO[C@H]21 ZINC000528518959 562333589 /nfs/dbraw/zinc/33/35/89/562333589.db2.gz KVSWGDSDUREWSR-RCCFBDPRSA-N 0 3 352.434 2.079 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000528554950 562336044 /nfs/dbraw/zinc/33/60/44/562336044.db2.gz MVKBTEPUGVBNHZ-PCCBWWKXSA-N 0 3 366.461 2.396 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@](O)(c2ccccc2)C1 ZINC000528658513 562340607 /nfs/dbraw/zinc/34/06/07/562340607.db2.gz PQYKBMBJYVWPSK-CTNGQTDRSA-N 0 3 352.434 2.282 20 30 FEEDHN CC(=O)N1CC[C@H](NC[C@@H](O)COc2ccccc2C#N)c2ccccc21 ZINC000530233608 562403182 /nfs/dbraw/zinc/40/31/82/562403182.db2.gz YNHXIEGZZKXVFA-MJGOQNOKSA-N 0 3 365.433 2.385 20 30 FEEDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336858 562407497 /nfs/dbraw/zinc/40/74/97/562407497.db2.gz FLZVQQGVNSNPBZ-ACJLOTCBSA-N 0 3 355.438 2.449 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2c(cnn2C)c1 ZINC000531095746 562434584 /nfs/dbraw/zinc/43/45/84/562434584.db2.gz YIBPAUYQJVMJGN-UHFFFAOYSA-N 0 3 362.437 2.044 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@H]1CCN(C(C)=O)C1)C(C)C ZINC000534376532 562532996 /nfs/dbraw/zinc/53/29/96/562532996.db2.gz GPSWTCMXGPHFSM-MOPGFXCFSA-N 0 3 364.534 2.195 20 30 FEEDHN N#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)s1 ZINC000536434014 562575382 /nfs/dbraw/zinc/57/53/82/562575382.db2.gz UNPPWLCGCGNVIW-DOTOQJQBSA-N 0 3 355.463 2.233 20 30 FEEDHN CN(CCC(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)c1ccncc1 ZINC000540927530 562597183 /nfs/dbraw/zinc/59/71/83/562597183.db2.gz IGSWWEPLFQTBGH-UHFFFAOYSA-N 0 3 360.421 2.486 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cnccc3C)CC2)CC1 ZINC000540979193 562599310 /nfs/dbraw/zinc/59/93/10/562599310.db2.gz CIHRYTIOKQXXFU-UHFFFAOYSA-N 0 3 357.502 2.262 20 30 FEEDHN COC(=O)C[C@H](NCC(=O)NCc1cccc(C#N)c1)C1CCCCC1 ZINC000541602872 562616320 /nfs/dbraw/zinc/61/63/20/562616320.db2.gz ZGBZWIJDWWVKOT-SFHVURJKSA-N 0 3 357.454 2.276 20 30 FEEDHN N#CCCN1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000602255284 567960306 /nfs/dbraw/zinc/96/03/06/567960306.db2.gz VCHPSJSUTLJXNF-FQEVSTJZSA-N 0 3 369.513 2.454 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000602538668 567992624 /nfs/dbraw/zinc/99/26/24/567992624.db2.gz HCTNQJIWNLIOAT-OAHLLOKOSA-N 0 3 365.499 2.271 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@](C)(CO)Cc2ccccc2F)CC1 ZINC000636741711 567997129 /nfs/dbraw/zinc/99/71/29/567997129.db2.gz IESBZTXKCPQQFZ-FQEVSTJZSA-N 0 3 363.477 2.459 20 30 FEEDHN C[C@H]1CN(CCCN2CCN(c3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602849390 568000986 /nfs/dbraw/zinc/00/09/86/568000986.db2.gz LAZCYVACKSJYSM-PMACEKPBSA-N 0 3 355.530 2.117 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000602886102 568005771 /nfs/dbraw/zinc/00/57/71/568005771.db2.gz JCAZKSRLLRWFRA-ZIAGYGMSSA-N 0 3 366.259 2.352 20 30 FEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)n1cc(CCN2CCCCC2)nn1 ZINC000603177771 568068238 /nfs/dbraw/zinc/06/82/38/568068238.db2.gz UERDDPVHZXLQAV-INIZCTEOSA-N 0 3 358.490 2.210 20 30 FEEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)Cc1cnc2c(C#N)cnn2c1 ZINC000569847385 568428155 /nfs/dbraw/zinc/42/81/55/568428155.db2.gz ROXXOSZCCASYQM-UHFFFAOYSA-N 0 3 370.407 2.443 20 30 FEEDHN CN(C)C[C@@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000569900196 568434980 /nfs/dbraw/zinc/43/49/80/568434980.db2.gz XXCJKYUSLWBZLQ-LJQANCHMSA-N 0 3 371.506 2.094 20 30 FEEDHN Cc1ccc2ncc(C#N)c(N3CCN([C@@H]4CCNC(=O)CC4)CC3)c2c1 ZINC000570914674 568673343 /nfs/dbraw/zinc/67/33/43/568673343.db2.gz INRUKVJLJHVWCV-KRWDZBQOSA-N 0 3 363.465 2.206 20 30 FEEDHN CCOCCC[N@@H+]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000821377817 607253984 /nfs/dbraw/zinc/25/39/84/607253984.db2.gz FDTJIRWDWJGWRM-HNNXBMFYSA-N 0 3 371.489 2.081 20 30 FEEDHN CCOCCC[N@H+]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000821377817 607253985 /nfs/dbraw/zinc/25/39/85/607253985.db2.gz FDTJIRWDWJGWRM-HNNXBMFYSA-N 0 3 371.489 2.081 20 30 FEEDHN CCOCCC[N@@H+]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000821377817 607253986 /nfs/dbraw/zinc/25/39/86/607253986.db2.gz FDTJIRWDWJGWRM-HNNXBMFYSA-N 0 3 371.489 2.081 20 30 FEEDHN CCOCCC[N@H+]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000821377817 607253987 /nfs/dbraw/zinc/25/39/87/607253987.db2.gz FDTJIRWDWJGWRM-HNNXBMFYSA-N 0 3 371.489 2.081 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000557852308 674471168 /nfs/dbraw/zinc/47/11/68/674471168.db2.gz DEYDXYLFUZJBNY-CXAGYDPISA-N 0 3 351.447 2.086 20 30 FEEDHN Cn1cc(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1 ZINC000808978906 674476821 /nfs/dbraw/zinc/47/68/21/674476821.db2.gz CKORAVBGHHCUHT-SNVBAGLBSA-N 0 3 351.338 2.091 20 30 FEEDHN COc1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1-c1nnn[n-]1 ZINC000826202527 607567399 /nfs/dbraw/zinc/56/73/99/607567399.db2.gz CMYDBPSGVSDGHV-ZDUSSCGKSA-N 0 3 364.409 2.456 20 30 FEEDHN CC(C)N1CCN(C2CC[NH+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)CC1 ZINC000833499880 604938720 /nfs/dbraw/zinc/93/87/20/604938720.db2.gz RTQLQUJCXYXAFU-FQEVSTJZSA-N 0 3 370.497 2.174 20 30 FEEDHN Cc1cc(C(F)(F)F)nn1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000810529916 674549211 /nfs/dbraw/zinc/54/92/11/674549211.db2.gz QVDAUPNXKVRTFB-LBPRGKRZSA-N 0 3 356.348 2.368 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)cc1 ZINC000810534548 674549216 /nfs/dbraw/zinc/54/92/16/674549216.db2.gz WAOSVPNUDXOULP-UKRRQHHQSA-N 0 3 359.451 2.179 20 30 FEEDHN C#C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811904771 674637652 /nfs/dbraw/zinc/63/76/52/674637652.db2.gz MRHZIIUNXVPWTR-MAUKXSAKSA-N 0 3 362.905 2.340 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@@H]1CCNC1=O ZINC000563411245 674883783 /nfs/dbraw/zinc/88/37/83/674883783.db2.gz AZHXZDUQYVUBIB-HNNXBMFYSA-N 0 3 363.531 2.111 20 30 FEEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000571297421 670851901 /nfs/dbraw/zinc/85/19/01/670851901.db2.gz KGIAGXOLGGZKDV-LJQANCHMSA-N 0 3 355.463 2.268 20 30 FEEDHN O=C(NCCNCc1ccc(F)c(Br)c1)C1N=CC=CC1=O ZINC000113361078 670884189 /nfs/dbraw/zinc/88/41/89/670884189.db2.gz GYRPQHULJPVMBL-PFONDFGASA-N 0 3 368.206 2.204 20 30 FEEDHN COC1CCN(C2(CNS(=O)(=O)CCC(C)(C)C#N)CCCC2)CC1 ZINC000573289847 671104093 /nfs/dbraw/zinc/10/40/93/671104093.db2.gz LGNYAMKCELOKJZ-UHFFFAOYSA-N 0 3 371.547 2.269 20 30 FEEDHN Cc1cc(CCNCCS(=O)(=O)c2cccc(C#N)c2)cc(C)c1O ZINC000574983269 671290606 /nfs/dbraw/zinc/29/06/06/671290606.db2.gz ARPFRQCKMRMCAA-UHFFFAOYSA-N 0 3 358.463 2.487 20 30 FEEDHN CCc1nc(CC(=O)C(C#N)C(=O)NCc2ccc(OC)cc2)cs1 ZINC000121430199 671949033 /nfs/dbraw/zinc/94/90/33/671949033.db2.gz UEOVGUJSHHGEIS-OAHLLOKOSA-N 0 3 357.435 2.282 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(F)c1 ZINC000125533976 672013170 /nfs/dbraw/zinc/01/31/70/672013170.db2.gz ZVVNPLOAZPGKSI-XJKSGUPXSA-N 0 3 350.390 2.233 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c([O-])c1 ZINC000129371780 672061647 /nfs/dbraw/zinc/06/16/47/672061647.db2.gz UQGBGYGRYXVABJ-TWPRWMDBSA-N 0 3 367.515 2.375 20 30 FEEDHN N#CC(C(=O)CCCNC(=O)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130238877 672072933 /nfs/dbraw/zinc/07/29/33/672072933.db2.gz JNMXPGLOJCYXDZ-LBPRGKRZSA-N 0 3 365.792 2.433 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000170672229 672323696 /nfs/dbraw/zinc/32/36/96/672323696.db2.gz LIIHDVLDLSXHJZ-CYBMUJFWSA-N 0 3 351.472 2.235 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)CC1 ZINC000171737661 672335195 /nfs/dbraw/zinc/33/51/95/672335195.db2.gz RQMPRROSFSWGRW-UHFFFAOYSA-N 0 3 350.850 2.472 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000173933771 672355967 /nfs/dbraw/zinc/35/59/67/672355967.db2.gz ALGXHSYVDJEYOQ-MGPQQGTHSA-N 0 3 350.365 2.320 20 30 FEEDHN CC#CCCN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000186098132 672540955 /nfs/dbraw/zinc/54/09/55/672540955.db2.gz KZRLWXCDEQSZFQ-INIZCTEOSA-N 0 3 351.491 2.285 20 30 FEEDHN CN1C[C@@H]2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)[C@@H]2C1 ZINC000590012741 672554472 /nfs/dbraw/zinc/55/44/72/672554472.db2.gz XDOBZISKBHEFMJ-XJKSGUPXSA-N 0 3 358.511 2.463 20 30 FEEDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000590589075 672593342 /nfs/dbraw/zinc/59/33/42/672593342.db2.gz LKTYMTTTYKZEKO-HZMBPMFUSA-N 0 3 361.389 2.290 20 30 FEEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(F)c(Br)c1 ZINC000591767863 672709501 /nfs/dbraw/zinc/70/95/01/672709501.db2.gz WQARFJYMIGAVRC-AAEUAGOBSA-N 0 3 358.255 2.445 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CNCCNS(=O)(=O)c2ccccc2)cc1 ZINC000237570456 672810688 /nfs/dbraw/zinc/81/06/88/672810688.db2.gz DJNQHGQSKKTLGH-OAHLLOKOSA-N 0 3 359.451 2.046 20 30 FEEDHN CC(C)OC(=O)C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000594038473 673024282 /nfs/dbraw/zinc/02/42/82/673024282.db2.gz ABVOXUFRWQPMBL-QGZVFWFLSA-N 0 3 366.483 2.288 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C1 ZINC000328911858 673069237 /nfs/dbraw/zinc/06/92/37/673069237.db2.gz ONCATYNBBMPLNY-OAHLLOKOSA-N 0 3 365.499 2.225 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000594430104 673070784 /nfs/dbraw/zinc/07/07/84/673070784.db2.gz VURQXCGUSPOBSO-INIZCTEOSA-N 0 3 362.861 2.036 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)Nc1cnc2c(Br)cccn12 ZINC000594467102 673078418 /nfs/dbraw/zinc/07/84/18/673078418.db2.gz FZWYZKJQUMYFSZ-NSHDSACASA-N 0 3 350.220 2.447 20 30 FEEDHN CNC(=O)c1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000728766686 673211156 /nfs/dbraw/zinc/21/11/56/673211156.db2.gz GFBJGVIMXOWZIU-LLVKDONJSA-N 0 3 356.769 2.056 20 30 FEEDHN CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(=O)N(C)C ZINC000728913533 673215136 /nfs/dbraw/zinc/21/51/36/673215136.db2.gz BEHZFAZADUZIQP-ZDUSSCGKSA-N 0 3 358.467 2.273 20 30 FEEDHN COC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1CCOCC1 ZINC000595617043 673273824 /nfs/dbraw/zinc/27/38/24/673273824.db2.gz UUPSSJHNGSUHIL-INIZCTEOSA-N 0 3 351.834 2.181 20 30 FEEDHN C[C@@H](c1ccccc1)[C@H](CO)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000613390104 676127117 /nfs/dbraw/zinc/12/71/17/676127117.db2.gz WPLIHNZGJDUVPU-KXBFYZLASA-N 0 3 358.463 2.086 20 30 FEEDHN N#CC1(CC(=O)NCC2(N3CCSCC3)CCCC2)CCOCC1 ZINC000596795303 673413708 /nfs/dbraw/zinc/41/37/08/673413708.db2.gz VQGCVCJDJARYNV-UHFFFAOYSA-N 0 3 351.516 2.175 20 30 FEEDHN C[C@@H]1[C@H](C)[S@](=O)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736629567 673535032 /nfs/dbraw/zinc/53/50/32/673535032.db2.gz RGXUIQPNCFYYCD-UZDBDGJJSA-N 0 3 361.492 2.314 20 30 FEEDHN N#CC1(C[C@H](O)CNCc2cc(Cl)cc3c2OCC3)CCOCC1 ZINC000600733091 673795183 /nfs/dbraw/zinc/79/51/83/673795183.db2.gz AZZOPGQXQQNHFK-INIZCTEOSA-N 0 3 350.846 2.436 20 30 FEEDHN Cc1nsc(NC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1C#N ZINC000603009925 673915430 /nfs/dbraw/zinc/91/54/30/673915430.db2.gz BBJTZFLSKJFIFF-ZDUSSCGKSA-N 0 3 363.487 2.430 20 30 FEEDHN Cc1nsc(NC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1C#N ZINC000603009924 673915629 /nfs/dbraw/zinc/91/56/29/673915629.db2.gz BBJTZFLSKJFIFF-CYBMUJFWSA-N 0 3 363.487 2.430 20 30 FEEDHN C#CCN(C)CCCNC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000818589103 675226361 /nfs/dbraw/zinc/22/63/61/675226361.db2.gz QTNXCGKEXYRPOB-UHFFFAOYSA-N 0 3 362.524 2.472 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC000818602920 675227829 /nfs/dbraw/zinc/22/78/29/675227829.db2.gz JMSRAYYDAVVHBZ-JKSUJKDBSA-N 0 3 351.491 2.093 20 30 FEEDHN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCN1CCCCC1 ZINC000819106828 675260756 /nfs/dbraw/zinc/26/07/56/675260756.db2.gz BHJXYBCOHKWTAE-HNNXBMFYSA-N 0 3 352.479 2.176 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000819197255 675268963 /nfs/dbraw/zinc/26/89/63/675268963.db2.gz HOYXTOSAUHGJOD-OAGGEKHMSA-N 0 3 368.549 2.301 20 30 FEEDHN COc1cc(CNCc2ccc(N(C)S(C)(=O)=O)cc2)ccc1C#N ZINC000619653818 676389339 /nfs/dbraw/zinc/38/93/39/676389339.db2.gz PBCYQSCLMBXOBZ-UHFFFAOYSA-N 0 3 359.451 2.252 20 30 FEEDHN CC#CC[C@@H](CO)NCc1ccc(Br)cc1N1CCOCC1 ZINC000641768152 677215280 /nfs/dbraw/zinc/21/52/80/677215280.db2.gz XMNKCYPGQQJYMX-INIZCTEOSA-N 0 3 367.287 2.150 20 30 FEEDHN C=CCOCCNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000648509838 677316911 /nfs/dbraw/zinc/31/69/11/677316911.db2.gz GFUDILTZRNOLQP-GFCCVEGCSA-N 0 3 371.275 2.255 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CCCO1 ZINC000838560222 680701649 /nfs/dbraw/zinc/70/16/49/680701649.db2.gz UVSWBPDYUNOBFJ-KSZLIROESA-N 0 3 361.511 2.491 20 30 FEEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000658606257 678106176 /nfs/dbraw/zinc/10/61/76/678106176.db2.gz OAIMDRHGSRYUFC-MRXNPFEDSA-N 0 3 363.527 2.453 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000831637537 680015778 /nfs/dbraw/zinc/01/57/78/680015778.db2.gz OFJXBTHQKGDOCO-UHFFFAOYSA-N 0 3 351.859 2.122 20 30 FEEDHN C=CCCC[C@H](N)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000912044588 685304686 /nfs/dbraw/zinc/30/46/86/685304686.db2.gz XQWBVYYSEUUQFX-ZDUSSCGKSA-N 0 3 368.275 2.496 20 30 FEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001020615020 680112226 /nfs/dbraw/zinc/11/22/26/680112226.db2.gz FDFADLTUMRLIAM-ZQDZILKHSA-N 0 3 350.260 2.331 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@@H]2C1 ZINC001022717557 680232226 /nfs/dbraw/zinc/23/22/26/680232226.db2.gz DJWFQCVQSGIRQN-CWRNSKLLSA-N 0 3 367.921 2.309 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834761677 680264315 /nfs/dbraw/zinc/26/43/15/680264315.db2.gz RKPVGIJAYQCNEY-LSDHHAIUSA-N 0 3 360.520 2.355 20 30 FEEDHN Cc1cnc(C=NNC(=S)NC2CCN(Cc3ccccc3)CC2)o1 ZINC000834923172 680282811 /nfs/dbraw/zinc/28/28/11/680282811.db2.gz ANEJPBCPUJPBNA-UHFFFAOYSA-N 0 3 357.483 2.446 20 30 FEEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001029848763 680394085 /nfs/dbraw/zinc/39/40/85/680394085.db2.gz FPZQKOJQYYSIGX-JFTQMJAMSA-N 0 3 359.495 2.468 20 30 FEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1 ZINC000999754154 680412344 /nfs/dbraw/zinc/41/23/44/680412344.db2.gz YDRBBYVEHVIBDO-LTUQZUHASA-N 0 3 357.479 2.124 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000836379760 680460639 /nfs/dbraw/zinc/46/06/39/680460639.db2.gz QUCYXHSGHOJNMC-AWEZNQCLSA-N 0 3 366.868 2.312 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000836488719 680476303 /nfs/dbraw/zinc/47/63/03/680476303.db2.gz MJADIKRMEAKAKJ-HNNXBMFYSA-N 0 3 358.269 2.281 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000836490269 680476649 /nfs/dbraw/zinc/47/66/49/680476649.db2.gz QVAGDJFIOFFPPD-UHFFFAOYSA-N 0 3 361.511 2.277 20 30 FEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001046979560 680655704 /nfs/dbraw/zinc/65/57/04/680655704.db2.gz BUAAVOUHMHSWEB-IKGGRYGDSA-N 0 3 354.441 2.454 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@H]1COC(=O)C1 ZINC000766256880 680872029 /nfs/dbraw/zinc/87/20/29/680872029.db2.gz FMIWPFKSQBHFGZ-GHMZBOCLSA-N 0 3 364.785 2.258 20 30 FEEDHN CC(C)(C)OC(=O)COCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000842686786 680959520 /nfs/dbraw/zinc/95/95/20/680959520.db2.gz QTSJOZDRXPRXHF-NSHDSACASA-N 0 3 366.801 2.346 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000842683940 680959527 /nfs/dbraw/zinc/95/95/27/680959527.db2.gz UECCJFXZLIEAPV-MJBXVCDLSA-N 0 3 351.447 2.305 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1ccnn1C ZINC000774044345 681166095 /nfs/dbraw/zinc/16/60/95/681166095.db2.gz UNXDRUCKFHDZEF-GFCCVEGCSA-N 0 3 360.801 2.281 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC000847491021 681385763 /nfs/dbraw/zinc/38/57/63/681385763.db2.gz FXNJKEWZELIUOP-CABCVRRESA-N 0 3 352.479 2.174 20 30 FEEDHN C[C@@H](C#N)OCCN1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC000933464154 681416568 /nfs/dbraw/zinc/41/65/68/681416568.db2.gz XRRDKIQQGQQJKH-HNNXBMFYSA-N 0 3 353.463 2.017 20 30 FEEDHN C[C@H](CC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000850977562 681992129 /nfs/dbraw/zinc/99/21/29/681992129.db2.gz YSBCMMRVYHMGTF-WHCBVINPSA-N 0 3 350.365 2.495 20 30 FEEDHN COCCO[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000781963394 681992647 /nfs/dbraw/zinc/99/26/47/681992647.db2.gz WOMDLIATABHPDE-ZIAGYGMSSA-N 0 3 359.451 2.210 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(CNCc2snnc2C)C1 ZINC000962402085 682117720 /nfs/dbraw/zinc/11/77/20/682117720.db2.gz RZABPUXTBYDKNM-NDTCATRNSA-N 0 3 364.515 2.202 20 30 FEEDHN CC(=O)N[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1cccs1 ZINC000916895232 685528546 /nfs/dbraw/zinc/52/85/46/685528546.db2.gz HKYMYYIJOGLYOX-CABCVRRESA-N 0 3 361.467 2.473 20 30 FEEDHN COc1ccc(CSCC(=O)C(C#N)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000916952775 685528656 /nfs/dbraw/zinc/52/86/56/685528656.db2.gz ZBAPYZODVCQLTM-LBPRGKRZSA-N 0 3 365.411 2.070 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000917137080 685529986 /nfs/dbraw/zinc/52/99/86/685529986.db2.gz KVWJOEPMBOLZGW-UHFFFAOYSA-N 0 3 368.279 2.031 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCn1cc(Br)cn1 ZINC000917425419 685532084 /nfs/dbraw/zinc/53/20/84/685532084.db2.gz UDZIDJUDPHZOAD-ZDUSSCGKSA-N 0 3 369.263 2.441 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(CCc2scnc2C)C1 ZINC000969693328 682272651 /nfs/dbraw/zinc/27/26/51/682272651.db2.gz RPEQLZHUODFSSK-XYPHTWIQSA-N 0 3 363.527 2.412 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)[C@@H]2C1 ZINC000972648893 682427650 /nfs/dbraw/zinc/42/76/50/682427650.db2.gz KRMGJCAGPMUAII-OAGGEKHMSA-N 0 3 367.921 2.165 20 30 FEEDHN CCOC(=O)[C@@H]1[C@@H](NCC2(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000788804975 682558008 /nfs/dbraw/zinc/55/80/08/682558008.db2.gz ZCNLSWWPWNCOHK-KBPBESRZSA-N 0 3 351.447 2.211 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cnc(C3(C)OCCO3)s2)CC1 ZINC000859250050 683064797 /nfs/dbraw/zinc/06/47/97/683064797.db2.gz DRBCHUJDXJIFQF-UHFFFAOYSA-N 0 3 351.472 2.133 20 30 FEEDHN Cc1cn(CC(=O)C(C#N)C(=O)NC2CCCCC2)nc1C(F)(F)F ZINC000860470231 683248340 /nfs/dbraw/zinc/24/83/40/683248340.db2.gz XYJUCVKTBOLQQQ-GFCCVEGCSA-N 0 3 356.348 2.368 20 30 FEEDHN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000799202659 683436266 /nfs/dbraw/zinc/43/62/66/683436266.db2.gz XXCBGVYUKQUDBO-CYBMUJFWSA-N 0 3 352.479 2.078 20 30 FEEDHN CN(C)c1ccc(C#N)cc1CNCc1ccc(NS(C)(=O)=O)cc1 ZINC000865416314 683980794 /nfs/dbraw/zinc/98/07/94/683980794.db2.gz YAOQGNCHKCASNC-UHFFFAOYSA-N 0 3 358.467 2.286 20 30 FEEDHN CN1CCN(C2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)CC1 ZINC000866211863 684083212 /nfs/dbraw/zinc/08/32/12/684083212.db2.gz NIGLIXHIMQEEIU-UHFFFAOYSA-N 0 3 353.392 2.188 20 30 FEEDHN COc1c(C)[nH]cc(CN(C)CCC(=O)Nc2sccc2C#N)c1=O ZINC000931322247 684261846 /nfs/dbraw/zinc/26/18/46/684261846.db2.gz PJWLRQRCNYWSEX-UHFFFAOYSA-N 0 3 360.439 2.086 20 30 FEEDHN COCCNS(=O)(=O)c1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1 ZINC000924837386 684497897 /nfs/dbraw/zinc/49/78/97/684497897.db2.gz LZIJKJNQAHHSMW-AWEZNQCLSA-N 0 3 353.488 2.029 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(=O)NCCCOCC)c1 ZINC000876588317 686225176 /nfs/dbraw/zinc/22/51/76/686225176.db2.gz DZGJPLADLTYCEA-HNNXBMFYSA-N 0 3 353.850 2.251 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000876619238 686229914 /nfs/dbraw/zinc/22/99/14/686229914.db2.gz QZZCPWAAHVVVIW-INIZCTEOSA-N 0 3 352.862 2.330 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000876624664 686231304 /nfs/dbraw/zinc/23/13/04/686231304.db2.gz OVDXRGVRBZQSQT-KRWDZBQOSA-N 0 3 363.889 2.150 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000876691801 686244669 /nfs/dbraw/zinc/24/46/69/686244669.db2.gz QLPWIIVAIUGSRD-OAHLLOKOSA-N 0 3 351.834 2.004 20 30 FEEDHN CN(C)[C@H](CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722802 686253516 /nfs/dbraw/zinc/25/35/16/686253516.db2.gz FMUMMHRKVPKYAC-QZTJIDSGSA-N 0 3 354.479 2.226 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000876939601 686298664 /nfs/dbraw/zinc/29/86/64/686298664.db2.gz IUPUHZJKEJFBII-LBPRGKRZSA-N 0 3 350.806 2.073 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000876983721 686304835 /nfs/dbraw/zinc/30/48/35/686304835.db2.gz UIQBTLKHUNSRHG-ZDUSSCGKSA-N 0 3 364.808 2.446 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000877037908 686315957 /nfs/dbraw/zinc/31/59/57/686315957.db2.gz ZANMZYGHJZRIBM-NWDGAFQWSA-N 0 3 360.216 2.171 20 30 FEEDHN C#CCC1(O)CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000880476760 687052497 /nfs/dbraw/zinc/05/24/97/687052497.db2.gz FOEAXPHWYNBPJE-HNNXBMFYSA-N 0 3 368.271 2.039 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccccc1OC(F)(F)F)C2 ZINC000884062775 687782611 /nfs/dbraw/zinc/78/26/11/687782611.db2.gz ANXCCNJCQSMVQL-UYJPIKCFSA-N 0 3 353.344 2.341 20 30 FEEDHN C#CCN(C(=O)[C@H](O)c1ccccc1C(F)(F)F)C1CCN(C)CC1 ZINC000886572746 688278201 /nfs/dbraw/zinc/27/82/01/688278201.db2.gz YPAPHVFMEDULTO-MRXNPFEDSA-N 0 3 354.372 2.295 20 30 FEEDHN C#CCN(C(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C1CCN(C)CC1 ZINC000886583345 688279678 /nfs/dbraw/zinc/27/96/78/688279678.db2.gz MJJIBPGSKSCDAB-UHFFFAOYSA-N 0 3 362.495 2.038 20 30 FEEDHN CN(Cc1cc(C#N)cs1)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000887965635 688527226 /nfs/dbraw/zinc/52/72/26/688527226.db2.gz KPXCWSMBEBCPDQ-DLBZAZTESA-N 0 3 357.483 2.047 20 30 FEEDHN Cc1nc(CC(F)(F)F)sc1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000892457758 689198926 /nfs/dbraw/zinc/19/89/26/689198926.db2.gz NIHFRQZWRAVZHZ-JTQLQIEISA-N 0 3 359.373 2.430 20 30 FEEDHN CN1CCN(C)CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000897095914 689974674 /nfs/dbraw/zinc/97/46/74/689974674.db2.gz WUTSXFOROFBJEJ-UHFFFAOYSA-N 0 3 355.255 2.143 20 30 FEEDHN C[C@@]1(NC(=O)NCc2nc(C#N)cs2)CCN(Cc2ccccc2)C1 ZINC000897269401 689997876 /nfs/dbraw/zinc/99/78/76/689997876.db2.gz DTCHAVNHVWBDKW-GOSISDBHSA-N 0 3 355.467 2.479 20 30 FEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1nc(C#N)cs1 ZINC000897298921 690002127 /nfs/dbraw/zinc/00/21/27/690002127.db2.gz NHQZONXKGQMJKT-UHFFFAOYSA-N 0 3 361.446 2.427 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164766552 721069531 /nfs/dbraw/zinc/06/95/31/721069531.db2.gz KUGYLIRIJBNNLI-CVEARBPZSA-N 0 3 356.861 2.298 20 30 FEEDHN N#Cc1cc(F)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981558 722105332 /nfs/dbraw/zinc/10/53/32/722105332.db2.gz LSIOBGVRRSOFAP-APWZRJJASA-N 0 3 367.428 2.215 20 30 FEEDHN CN(Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867993 539771286 /nfs/dbraw/zinc/77/12/86/539771286.db2.gz QSZKERPFYPFGCB-KRWDZBQOSA-N 0 3 354.406 2.353 20 30 FEEDHN CCN1CCC(NC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000043292151 540096652 /nfs/dbraw/zinc/09/66/52/540096652.db2.gz XHKDSXVPMGWVAO-UHFFFAOYSA-N 0 3 355.486 2.264 20 30 FEEDHN N#Cc1ccc(NC(=O)CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1Cl ZINC000550502329 674098932 /nfs/dbraw/zinc/09/89/32/674098932.db2.gz HCJFQPDEHOAANR-MSOLQXFVSA-N 0 3 363.845 2.060 20 30 FEEDHN CN(CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046529100 540261340 /nfs/dbraw/zinc/26/13/40/540261340.db2.gz CUXHMPKMEZVITN-UHFFFAOYSA-N 0 3 350.422 2.406 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1CCCCCCC1=O ZINC000048238892 540352924 /nfs/dbraw/zinc/35/29/24/540352924.db2.gz BQQJRNQHRRIGQK-UHFFFAOYSA-N 0 3 370.497 2.241 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000050028978 540397730 /nfs/dbraw/zinc/39/77/30/540397730.db2.gz SYKNJOWGOAHPLO-GOSISDBHSA-N 0 3 355.438 2.088 20 30 FEEDHN CN(C)CCOc1ccc(CNC(=O)COc2ccccc2C#N)cc1 ZINC000053992233 540562868 /nfs/dbraw/zinc/56/28/68/540562868.db2.gz YYQYXFXGUSIJLP-UHFFFAOYSA-N 0 3 353.422 2.194 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCCC[C@H]1C ZINC000054851165 540615067 /nfs/dbraw/zinc/61/50/67/540615067.db2.gz OCICGPQCHCTEMI-OAHLLOKOSA-N 0 3 372.469 2.275 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(N3CCCCCC3)nc2)CC1 ZINC000057173099 540776113 /nfs/dbraw/zinc/77/61/13/540776113.db2.gz RRRSHRNVYZHFAD-UHFFFAOYSA-N 0 3 354.498 2.423 20 30 FEEDHN CN(C)CCn1c2cc(NC(=O)c3cccc(C#N)c3)ccc2oc1=O ZINC000058737998 540854798 /nfs/dbraw/zinc/85/47/98/540854798.db2.gz WXFPYSLFVAMOSW-UHFFFAOYSA-N 0 3 350.378 2.280 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000059890724 540866665 /nfs/dbraw/zinc/86/66/65/540866665.db2.gz HHLLHRGBOAPSHP-LHSJRXKWSA-N 0 3 372.513 2.423 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(C)CC1 ZINC000065601930 541247919 /nfs/dbraw/zinc/24/79/19/541247919.db2.gz CUVPKUJQZOLMBF-ZDUSSCGKSA-N 0 3 362.861 2.387 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000067408830 541458978 /nfs/dbraw/zinc/45/89/78/541458978.db2.gz FCPLHYZKAWZSID-INIZCTEOSA-N 0 3 361.490 2.329 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)c1 ZINC000067497621 541472654 /nfs/dbraw/zinc/47/26/54/541472654.db2.gz RMYBOOZFWRMARS-MRXNPFEDSA-N 0 3 359.470 2.428 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(Br)s1 ZINC000067651369 541495019 /nfs/dbraw/zinc/49/50/19/541495019.db2.gz CGDUOHNIQXHYRP-MRVPVSSYSA-N 0 3 352.275 2.116 20 30 FEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3cncn3)cc2)n1 ZINC000067896298 541526729 /nfs/dbraw/zinc/52/67/29/541526729.db2.gz ZCEDFVDGGIOUCA-ZDUSSCGKSA-N 0 3 367.390 2.391 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](CCC)NC(=O)Cc2ccccc2)CC1 ZINC000069703803 541706186 /nfs/dbraw/zinc/70/61/86/541706186.db2.gz JQPTUSKBWMCWFV-IBGZPJMESA-N 0 3 357.498 2.281 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CCCC[C@H]2CN2CCOCC2)c1 ZINC000072631229 541841122 /nfs/dbraw/zinc/84/11/22/541841122.db2.gz XZUWJRHUOJWNQD-IBGZPJMESA-N 0 3 356.470 2.074 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC3(CNC(=O)C3)CC1)CCC2 ZINC000072697015 541853577 /nfs/dbraw/zinc/85/35/77/541853577.db2.gz ZGPKTIKASKMTPN-UHFFFAOYSA-N 0 3 372.494 2.039 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000074333956 542071783 /nfs/dbraw/zinc/07/17/83/542071783.db2.gz ZWYHWPSETIANKL-UHFFFAOYSA-N 0 3 360.502 2.421 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000074655409 542107596 /nfs/dbraw/zinc/10/75/96/542107596.db2.gz KTMDSDITYBFQIK-SFHVURJKSA-N 0 3 371.529 2.362 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000076513092 542288370 /nfs/dbraw/zinc/28/83/70/542288370.db2.gz ZIYOOPVMPUHPFF-UHFFFAOYSA-N 0 3 366.259 2.154 20 30 FEEDHN N#CCOc1cccc(NC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000077273268 542360964 /nfs/dbraw/zinc/36/09/64/542360964.db2.gz UQBDLGYZIROEOX-UHFFFAOYSA-N 0 3 358.442 2.165 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)N(C)OC)cc2)CC1 ZINC000077469005 542386044 /nfs/dbraw/zinc/38/60/44/542386044.db2.gz GISYWSFLBDBYNW-UHFFFAOYSA-N 0 3 360.458 2.482 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1 ZINC000088241732 542749063 /nfs/dbraw/zinc/74/90/63/542749063.db2.gz QOTRRZOEANZHPT-UHFFFAOYSA-N 0 3 367.424 2.319 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000090561694 542786240 /nfs/dbraw/zinc/78/62/40/542786240.db2.gz OONNNGUUYFQABL-KRWDZBQOSA-N 0 3 374.460 2.271 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc2c(C)cccn2c1=O)C(C)C ZINC000091053726 542792596 /nfs/dbraw/zinc/79/25/96/542792596.db2.gz ABFNUAIPWCLMRR-SFHVURJKSA-N 0 3 368.481 2.431 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000093045992 542904160 /nfs/dbraw/zinc/90/41/60/542904160.db2.gz VZPMCCBFCNZHSE-UHFFFAOYSA-N 0 3 371.529 2.022 20 30 FEEDHN CCCC(=O)NC[C@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000101966441 543052033 /nfs/dbraw/zinc/05/20/33/543052033.db2.gz UYPOSNAOAIZPGL-MOPGFXCFSA-N 0 3 373.497 2.121 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000106034349 543186259 /nfs/dbraw/zinc/18/62/59/543186259.db2.gz DWIWOGAMVMTGFV-UHFFFAOYSA-N 0 3 364.511 2.179 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000106349375 543224724 /nfs/dbraw/zinc/22/47/24/543224724.db2.gz USYGPWNVBYZBDS-UHFFFAOYSA-N 0 3 365.861 2.444 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110866701 543371096 /nfs/dbraw/zinc/37/10/96/543371096.db2.gz QEQUGNHSUNWSME-HXUWFJFHSA-N 0 3 372.513 2.058 20 30 FEEDHN CC[C@H](C)[C@@H](C)N(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000111226789 543386582 /nfs/dbraw/zinc/38/65/82/543386582.db2.gz LTUYIGSCOJAIOB-LSDHHAIUSA-N 0 3 373.501 2.402 20 30 FEEDHN C=CC1CCN(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC1 ZINC000111488873 543403464 /nfs/dbraw/zinc/40/34/64/543403464.db2.gz ZFYGFWDNCXMYKH-UHFFFAOYSA-N 0 3 358.486 2.086 20 30 FEEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000112528643 543451025 /nfs/dbraw/zinc/45/10/25/543451025.db2.gz YONCGRWAPIHHHV-KGLIPLIRSA-N 0 3 357.458 2.382 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1sccc1-n1cnnn1)C(C)C ZINC000112919799 543468415 /nfs/dbraw/zinc/46/84/15/543468415.db2.gz PBGYYIQVSFIEGS-HNNXBMFYSA-N 0 3 360.487 2.152 20 30 FEEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000114480996 543520657 /nfs/dbraw/zinc/52/06/57/543520657.db2.gz OZTCNQOBYNUHNM-OAQYLSRUSA-N 0 3 354.498 2.391 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114598325 543525131 /nfs/dbraw/zinc/52/51/31/543525131.db2.gz VHSHDGAJDJGPGB-VQTJNVASSA-N 0 3 369.513 2.280 20 30 FEEDHN COCCN(C)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115358051 543562029 /nfs/dbraw/zinc/56/20/29/543562029.db2.gz HCZUDVAGFXICCE-UHFFFAOYSA-N 0 3 367.449 2.445 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000118096639 543644481 /nfs/dbraw/zinc/64/44/81/543644481.db2.gz QQCMHMLALBQTOD-GJZGRUSLSA-N 0 3 374.510 2.477 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000118127390 543647964 /nfs/dbraw/zinc/64/79/64/543647964.db2.gz DGVIQEHYTDXPTC-QGZVFWFLSA-N 0 3 356.470 2.417 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)cc2C1=O ZINC000123385322 543759141 /nfs/dbraw/zinc/75/91/41/543759141.db2.gz FNTHRCQUAPTXAL-UKRRQHHQSA-N 0 3 355.438 2.023 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCC(C)CC1 ZINC000124731185 543839847 /nfs/dbraw/zinc/83/98/47/543839847.db2.gz PUAORKHIRYTKMI-UHFFFAOYSA-N 0 3 358.486 2.448 20 30 FEEDHN CN1CCN([C@H]2CCCCN(C(=O)Nc3ccc(CC#N)cc3)C2)CC1 ZINC000125420053 543880761 /nfs/dbraw/zinc/88/07/61/543880761.db2.gz NUAOTUSFOMNGDW-IBGZPJMESA-N 0 3 355.486 2.386 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCCNC(=O)c2occc2C)CC1 ZINC000125977682 543911524 /nfs/dbraw/zinc/91/15/24/543911524.db2.gz MDVLUVOPRLPYEG-UHFFFAOYSA-N 0 3 362.474 2.048 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)CN1C1CC1 ZINC000127325204 543986504 /nfs/dbraw/zinc/98/65/04/543986504.db2.gz DLOZLQIMTZKOLA-WBVHZDCISA-N 0 3 353.470 2.015 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127454718 543993717 /nfs/dbraw/zinc/99/37/17/543993717.db2.gz ZKQGUDBRNQDICN-QAPCUYQASA-N 0 3 356.470 2.341 20 30 FEEDHN COc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000129291085 544103824 /nfs/dbraw/zinc/10/38/24/544103824.db2.gz OLSHTUUQCPGRSZ-UHFFFAOYSA-N 0 3 367.453 2.235 20 30 FEEDHN C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000133453849 544270627 /nfs/dbraw/zinc/27/06/27/544270627.db2.gz UDOUVXBHJZAURJ-MRXNPFEDSA-N 0 3 358.486 2.236 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000150778640 544470268 /nfs/dbraw/zinc/47/02/68/544470268.db2.gz ANQSZKKXQITITQ-YOEHRIQHSA-N 0 3 356.470 2.271 20 30 FEEDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000151604250 544561553 /nfs/dbraw/zinc/56/15/53/544561553.db2.gz UDERPVMFBQIDPP-INIZCTEOSA-N 0 3 366.387 2.320 20 30 FEEDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000151620939 544563256 /nfs/dbraw/zinc/56/32/56/544563256.db2.gz TUTXRCGCBUGLBJ-INIZCTEOSA-N 0 3 366.387 2.320 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cn(C)nc2C(F)(F)F)CC1 ZINC000151784743 544579517 /nfs/dbraw/zinc/57/95/17/544579517.db2.gz FNOCQFXCGLBZTP-UHFFFAOYSA-N 0 3 359.396 2.279 20 30 FEEDHN CCO[C@@H]1C[C@H](O)C12CCN(CCC(=O)Nc1ccccc1C#N)CC2 ZINC000152907791 544709954 /nfs/dbraw/zinc/70/99/54/544709954.db2.gz WTQMJVUCTUUXOZ-ZWKOTPCHSA-N 0 3 357.454 2.139 20 30 FEEDHN C[C@@H](CNC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153291216 544757648 /nfs/dbraw/zinc/75/76/48/544757648.db2.gz DZEYCEJDUYQDAD-GJZGRUSLSA-N 0 3 368.485 2.036 20 30 FEEDHN CCCN(C)[C@H](CNC(=O)Cn1cnc(C#N)n1)c1ccc(Cl)cc1 ZINC000553027406 674234164 /nfs/dbraw/zinc/23/41/64/674234164.db2.gz YPNZOGXMPFDLPG-OAHLLOKOSA-N 0 3 360.849 2.002 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188595359 328097495 /nfs/dbraw/zinc/09/74/95/328097495.db2.gz UWRAFTXDIKWLAZ-GUDVDZBRSA-N 0 3 356.470 2.199 20 30 FEEDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3cc(C#N)n(C)c3)cc2)C[C@@H](C)O1 ZINC000190872808 328237690 /nfs/dbraw/zinc/23/76/90/328237690.db2.gz IHZFBWXEMWVDKK-HZPDHXFCSA-N 0 3 366.465 2.436 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192980580 328350499 /nfs/dbraw/zinc/35/04/99/328350499.db2.gz BQDVTVARWZGFDJ-SFHVURJKSA-N 0 3 355.463 2.359 20 30 FEEDHN N#Cc1ccccc1S(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000192988048 328350854 /nfs/dbraw/zinc/35/08/54/328350854.db2.gz XHSZCJXUGARDGR-QGZVFWFLSA-N 0 3 355.463 2.359 20 30 FEEDHN CN(CC(=O)OC(C)(C)C)[C@@H]1CN(CCCCC(C)(C)C#N)C[C@H]1O ZINC000553896173 674292886 /nfs/dbraw/zinc/29/28/86/674292886.db2.gz SLLCCEBBJWAHPE-HZPDHXFCSA-N 0 3 353.507 2.025 20 30 FEEDHN CN(C)CCN(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000080391071 325130013 /nfs/dbraw/zinc/13/00/13/325130013.db2.gz UULMWRNJHANADB-UHFFFAOYSA-N 0 3 371.441 2.043 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000089942681 325344048 /nfs/dbraw/zinc/34/40/48/325344048.db2.gz VAEUYPWNDOCISS-KRWDZBQOSA-N 0 3 370.432 2.063 20 30 FEEDHN CN1CCN([C@@H]2CCCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000091688251 325390185 /nfs/dbraw/zinc/39/01/85/325390185.db2.gz OSWSHLFMAZVFFA-NDDJGDGRSA-N 0 3 352.482 2.200 20 30 FEEDHN Cn1ccnc1CC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000106164623 325587473 /nfs/dbraw/zinc/58/74/73/325587473.db2.gz PQXCMWUFZBTYEQ-IBGZPJMESA-N 0 3 363.465 2.352 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000122464735 326397892 /nfs/dbraw/zinc/39/78/92/326397892.db2.gz MMMWXIQUZWSANF-AWEZNQCLSA-N 0 3 351.447 2.194 20 30 FEEDHN COC(=O)c1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)o1 ZINC000127072942 326499794 /nfs/dbraw/zinc/49/97/94/326499794.db2.gz MZCFVKSDHLWBIT-UHFFFAOYSA-N 0 3 355.394 2.142 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)Nc2ccc(F)c(C#N)c2)ccn1 ZINC000129610440 326543457 /nfs/dbraw/zinc/54/34/57/326543457.db2.gz XFWFXEKKLMMPFJ-UHFFFAOYSA-N 0 3 357.389 2.354 20 30 FEEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000162774636 327034481 /nfs/dbraw/zinc/03/44/81/327034481.db2.gz JJVKEYUBNQIMPZ-UHFFFAOYSA-N 0 3 374.485 2.330 20 30 FEEDHN C[C@](CO)(NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000177026645 327491662 /nfs/dbraw/zinc/49/16/62/327491662.db2.gz FPFMTFOOTKWEMQ-GOSISDBHSA-N 0 3 350.484 2.253 20 30 FEEDHN CCNC(=O)c1ccc(N2CCCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000264864459 329068822 /nfs/dbraw/zinc/06/88/22/329068822.db2.gz LIEAKLAMPVWHIJ-UHFFFAOYSA-N 0 3 363.465 2.415 20 30 FEEDHN N#Cc1cc(F)c(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c(F)c1 ZINC000268209991 329397233 /nfs/dbraw/zinc/39/72/33/329397233.db2.gz SZXUDRQLEILZJS-UHFFFAOYSA-N 0 3 369.437 2.475 20 30 FEEDHN N#Cc1ccc(CNC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 ZINC000269416961 329517585 /nfs/dbraw/zinc/51/75/85/329517585.db2.gz KOTSYFMSCVZVLN-UHFFFAOYSA-N 0 3 365.352 2.101 20 30 FEEDHN COCCN(CCOC)C1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000286415272 330182686 /nfs/dbraw/zinc/18/26/86/330182686.db2.gz PJJVAMMZCGQAMT-UHFFFAOYSA-N 0 3 359.470 2.324 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000554165410 674306354 /nfs/dbraw/zinc/30/63/54/674306354.db2.gz DTWAWZIFRCLEAQ-UHFFFAOYSA-N 0 3 367.559 2.279 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(n3cncn3)CC2)c(OC)c1 ZINC000156647210 545641737 /nfs/dbraw/zinc/64/17/37/545641737.db2.gz SAIFOAKPCSAWSQ-GOSISDBHSA-N 0 3 372.469 2.092 20 30 FEEDHN N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 ZINC000157204101 545713898 /nfs/dbraw/zinc/71/38/98/545713898.db2.gz YXZXUJYZSIWLJR-SFHVURJKSA-N 0 3 369.490 2.401 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)N3CCC[C@@H](C)C3)cc2C1=O ZINC000478528567 561169009 /nfs/dbraw/zinc/16/90/09/561169009.db2.gz JXIAHUZXQVKZCO-CABCVRRESA-N 0 3 369.465 2.319 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000478615545 561171165 /nfs/dbraw/zinc/17/11/65/561171165.db2.gz MUEYPHJWMDGEOZ-OAHLLOKOSA-N 0 3 367.440 2.065 20 30 FEEDHN Cc1ccc(NC(=[NH2+])NCC[N-]S(=O)(=O)c2cccs2)cc1C ZINC000160493701 546046249 /nfs/dbraw/zinc/04/62/49/546046249.db2.gz POZXOZWFDAMOKF-UHFFFAOYSA-N 0 3 352.485 2.070 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000161264362 546115473 /nfs/dbraw/zinc/11/54/73/546115473.db2.gz DSZJTEOOTSJWRA-QGZVFWFLSA-N 0 3 372.469 2.275 20 30 FEEDHN N#CC1(CS(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000165237988 546152080 /nfs/dbraw/zinc/15/20/80/546152080.db2.gz KDHSSGRYOQUMJA-AYHJJNSGSA-N 0 3 359.495 2.405 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2cccnn2)CC1)C(C)C ZINC000171011089 546185781 /nfs/dbraw/zinc/18/57/81/546185781.db2.gz RHKQWIVOZIRBJF-SFHVURJKSA-N 0 3 372.517 2.007 20 30 FEEDHN C=CCOc1ccc(C(=O)NC2CCN(CCCOC)CC2)cc1OC ZINC000171125322 546191883 /nfs/dbraw/zinc/19/18/83/546191883.db2.gz NLLUWGMOSQYXBA-UHFFFAOYSA-N 0 3 362.470 2.491 20 30 FEEDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000171468432 546210804 /nfs/dbraw/zinc/21/08/04/546210804.db2.gz YJXRTIAPUJNPFK-UHFFFAOYSA-N 0 3 356.470 2.226 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCc2ccc(-n3cccn3)cc2)CC1 ZINC000171706603 546219568 /nfs/dbraw/zinc/21/95/68/546219568.db2.gz RSSMECXMTGUAIE-UHFFFAOYSA-N 0 3 353.470 2.364 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCc2cc(F)cc3c2OCOC3)CC1 ZINC000171716742 546220080 /nfs/dbraw/zinc/22/00/80/546220080.db2.gz LYUVYFQEDPUDHC-UHFFFAOYSA-N 0 3 363.433 2.184 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 ZINC000171719878 546220398 /nfs/dbraw/zinc/22/03/98/546220398.db2.gz VQWJTAAKFBOAFH-ZDUSSCGKSA-N 0 3 363.408 2.084 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3cccc(OC)c3)CC2)CC1 ZINC000171738022 546223703 /nfs/dbraw/zinc/22/37/03/546223703.db2.gz XMPVTIBVUDDVLE-UHFFFAOYSA-N 0 3 358.486 2.177 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)NCCCN2CCC(O)CC2)cc1OC ZINC000172313020 546246468 /nfs/dbraw/zinc/24/64/68/546246468.db2.gz AJELGQWPXNNJMZ-SOFGYWHQSA-N 0 3 374.481 2.236 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000176525427 546457141 /nfs/dbraw/zinc/45/71/41/546457141.db2.gz NWFCMPPENKIAGC-UHFFFAOYSA-N 0 3 358.364 2.183 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)C(C)C ZINC000480521720 561211112 /nfs/dbraw/zinc/21/11/12/561211112.db2.gz UQDIILNHRDYMRN-GUDVDZBRSA-N 0 3 365.518 2.274 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(CCCCO)C2CC2)cc1 ZINC000480974444 561221709 /nfs/dbraw/zinc/22/17/09/561221709.db2.gz XJRNREBTPCGRPU-CYBMUJFWSA-N 0 3 365.455 2.141 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)CN1CCCCC1 ZINC000481051048 561223995 /nfs/dbraw/zinc/22/39/95/561223995.db2.gz BPHZWHMMMLQKQU-AWEZNQCLSA-N 0 3 353.463 2.239 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000177812540 546689974 /nfs/dbraw/zinc/68/99/74/546689974.db2.gz DVPPNIZHFYRRJQ-MSOLQXFVSA-N 0 3 357.502 2.431 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000179357062 546938753 /nfs/dbraw/zinc/93/87/53/546938753.db2.gz RJJWMTWQDPVUOJ-INIZCTEOSA-N 0 3 355.841 2.462 20 30 FEEDHN C=CCNC(=O)CN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000180030853 547041098 /nfs/dbraw/zinc/04/10/98/547041098.db2.gz JIBNOIQMVIZNLP-NSHDSACASA-N 0 3 359.348 2.194 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000180161101 547060559 /nfs/dbraw/zinc/06/05/59/547060559.db2.gz XVVRFHSNCOLVCE-ZFWWWQNUSA-N 0 3 353.875 2.316 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cnc3sc(C)c(C)n3c2=O)CC1 ZINC000180480359 547116605 /nfs/dbraw/zinc/11/66/05/547116605.db2.gz KLBQQEZWGDJKRC-UHFFFAOYSA-N 0 3 360.483 2.143 20 30 FEEDHN CN(C)CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000180649689 547150751 /nfs/dbraw/zinc/15/07/51/547150751.db2.gz RKOIZXSHXJNXIT-UHFFFAOYSA-N 0 3 351.410 2.494 20 30 FEEDHN N#Cc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@H]2CO)cc1 ZINC000180879286 547200108 /nfs/dbraw/zinc/20/01/08/547200108.db2.gz DYJKFBAISNRIMC-NRFANRHFSA-N 0 3 363.461 2.374 20 30 FEEDHN C[C@@H](O)CN1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000181093871 547247945 /nfs/dbraw/zinc/24/79/45/547247945.db2.gz YVHASOJKSJQYLD-CHWSQXEVSA-N 0 3 352.276 2.208 20 30 FEEDHN N#CC(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccccn1 ZINC000181099545 547250078 /nfs/dbraw/zinc/25/00/78/547250078.db2.gz BWIMFECSOHAIQW-CQSZACIVSA-N 0 3 352.350 2.316 20 30 FEEDHN N#Cc1ccc(CN2CC[C@H](CN3CCOCC3)C2)c(Br)c1 ZINC000181120451 547253605 /nfs/dbraw/zinc/25/36/05/547253605.db2.gz ZNYJNOKXNXGQRU-OAHLLOKOSA-N 0 3 364.287 2.475 20 30 FEEDHN N#Cc1cc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c[nH]1 ZINC000181228156 547275322 /nfs/dbraw/zinc/27/53/22/547275322.db2.gz NYHKCKAVZZALBT-UHFFFAOYSA-N 0 3 365.481 2.214 20 30 FEEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000483895766 561286086 /nfs/dbraw/zinc/28/60/86/561286086.db2.gz NAPZAEHHGSWXRX-NSHDSACASA-N 0 3 354.223 2.392 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc2c(cnn2C)c1OC)C(C)C ZINC000182255848 547462639 /nfs/dbraw/zinc/46/26/39/547462639.db2.gz JOLYDRZSANFJTC-KRWDZBQOSA-N 0 3 371.485 2.405 20 30 FEEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)N(CCC#N)CCC#N)cc1 ZINC000183157970 547612201 /nfs/dbraw/zinc/61/22/01/547612201.db2.gz UMUATTJIOSXODF-MRXNPFEDSA-N 0 3 364.453 2.487 20 30 FEEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000183186170 547618149 /nfs/dbraw/zinc/61/81/49/547618149.db2.gz RSQZOVKKHQJYEY-WSTZPKSXSA-N 0 3 370.472 2.266 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1C#N ZINC000184546225 547843621 /nfs/dbraw/zinc/84/36/21/547843621.db2.gz MNSHLDAFYXGXCE-INIZCTEOSA-N 0 3 373.501 2.493 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)c1 ZINC000184800801 547880499 /nfs/dbraw/zinc/88/04/99/547880499.db2.gz CTCFGWHAEUYRES-QZTJIDSGSA-N 0 3 356.470 2.184 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCOc2ccc(C=O)cc2OC)CC1 ZINC000185507156 547994970 /nfs/dbraw/zinc/99/49/70/547994970.db2.gz BKJMUHLKWVWNTE-UHFFFAOYSA-N 0 3 360.454 2.433 20 30 FEEDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc(C#N)cc1OC ZINC000185917233 548059171 /nfs/dbraw/zinc/05/91/71/548059171.db2.gz WBEGVZQFZIDWLL-UHFFFAOYSA-N 0 3 353.488 2.309 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000186113645 548086519 /nfs/dbraw/zinc/08/65/19/548086519.db2.gz IYWGQGSZKKACLZ-MRXNPFEDSA-N 0 3 350.532 2.472 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)CC1 ZINC000186369596 548125702 /nfs/dbraw/zinc/12/57/02/548125702.db2.gz BOQAZFAQSKFDCC-UFYCRDLUSA-N 0 3 356.466 2.073 20 30 FEEDHN CCOC(=O)C[C@@](C)(NCCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000186714083 548179546 /nfs/dbraw/zinc/17/95/46/548179546.db2.gz JVRMXYHNXMHCKO-GOSISDBHSA-N 0 3 366.483 2.289 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)CC1 ZINC000186814669 548199064 /nfs/dbraw/zinc/19/90/64/548199064.db2.gz UBXSFDVCAQFPFI-IBGZPJMESA-N 0 3 354.429 2.110 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000189644736 548306515 /nfs/dbraw/zinc/30/65/15/548306515.db2.gz FZMLBJDZCZHJHX-OAQYLSRUSA-N 0 3 373.497 2.457 20 30 FEEDHN C=CCSCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192364140 548362518 /nfs/dbraw/zinc/36/25/18/548362518.db2.gz JSELQJKTRQTOLC-SFHVURJKSA-N 0 3 363.527 2.496 20 30 FEEDHN O=C(NCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1N=CC=CC1=O ZINC000192996497 548378095 /nfs/dbraw/zinc/37/80/95/548378095.db2.gz UTXRSHHJOGHPCZ-BQASMSSTSA-N 0 3 356.382 2.088 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnn(C3CCCC3)c2C)CC1 ZINC000193203962 548382891 /nfs/dbraw/zinc/38/28/91/548382891.db2.gz GSSKUOVHKULWFF-UHFFFAOYSA-N 0 3 373.501 2.402 20 30 FEEDHN C=CCSCCNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000194565679 548499774 /nfs/dbraw/zinc/49/97/74/548499774.db2.gz RVZUUFUZYISIKH-UHFFFAOYSA-N 0 3 362.543 2.152 20 30 FEEDHN C[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000486623509 561352757 /nfs/dbraw/zinc/35/27/57/561352757.db2.gz LXCOOYZCOOGIIE-KKSFZXQISA-N 0 3 363.461 2.197 20 30 FEEDHN CN1CCN(CCCNC(=O)c2ccc(C#N)cn2)[C@@H](c2ccccc2)C1 ZINC000245946215 549025888 /nfs/dbraw/zinc/02/58/88/549025888.db2.gz WSRIZKJWPBUHMY-HXUWFJFHSA-N 0 3 363.465 2.062 20 30 FEEDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000246200361 549075787 /nfs/dbraw/zinc/07/57/87/549075787.db2.gz ORXJOHKHOOGZCY-KGLIPLIRSA-N 0 3 353.875 2.459 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000248634486 549472515 /nfs/dbraw/zinc/47/25/15/549472515.db2.gz JNRWAISVCCKVAE-ZNMIVQPWSA-N 0 3 365.499 2.212 20 30 FEEDHN CCN(CC)[C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)CC(C)C ZINC000489591572 561415026 /nfs/dbraw/zinc/41/50/26/561415026.db2.gz ARJRPZULOIETPS-INIZCTEOSA-N 0 3 352.504 2.297 20 30 FEEDHN CC(C)C(=O)NC[C@@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000263789779 549937434 /nfs/dbraw/zinc/93/74/34/549937434.db2.gz XDXDFQULFZQHPN-INIZCTEOSA-N 0 3 356.470 2.371 20 30 FEEDHN COc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccc1OCC(N)=O ZINC000264232484 549993267 /nfs/dbraw/zinc/99/32/67/549993267.db2.gz BWLICFYAJPGQFV-CQSZACIVSA-N 0 3 369.421 2.312 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000264863671 550002000 /nfs/dbraw/zinc/00/20/00/550002000.db2.gz GIEGBVLOGBLBST-INIZCTEOSA-N 0 3 360.255 2.475 20 30 FEEDHN C#CCCOc1ccc(C[NH2+]C[C@@]([O-])(c2nccn2C)C(F)(F)F)cc1 ZINC000264932032 550003273 /nfs/dbraw/zinc/00/32/73/550003273.db2.gz BBFIMASVWDIPPX-QGZVFWFLSA-N 0 3 367.371 2.362 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)N1CCC[C@@H](C)C1 ZINC000269108966 550156494 /nfs/dbraw/zinc/15/64/94/550156494.db2.gz PWEIKSVJHHOPDE-CHWSQXEVSA-N 0 3 362.861 2.387 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(Cn2ccnn2)CC1)C(C)C ZINC000269951086 550238558 /nfs/dbraw/zinc/23/85/58/550238558.db2.gz HPUDNODHGAKDNY-IBGZPJMESA-N 0 3 374.533 2.398 20 30 FEEDHN C=CCC[C@H](NCc1ccccc1S(=O)(=O)N(C)CCO)C1CC1 ZINC000271464754 550377658 /nfs/dbraw/zinc/37/76/58/550377658.db2.gz KUUWLQNGCYCXNJ-KRWDZBQOSA-N 0 3 352.500 2.134 20 30 FEEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272405822 550444658 /nfs/dbraw/zinc/44/46/58/550444658.db2.gz KPQURQZRTKWBML-DOTOQJQBSA-N 0 3 370.478 2.142 20 30 FEEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272405823 550444737 /nfs/dbraw/zinc/44/47/37/550444737.db2.gz KPQURQZRTKWBML-NVXWUHKLSA-N 0 3 370.478 2.142 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000272813347 550472071 /nfs/dbraw/zinc/47/20/71/550472071.db2.gz DNXHEHIIQIAGTK-CQSZACIVSA-N 0 3 372.918 2.267 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000272867311 550474173 /nfs/dbraw/zinc/47/41/73/550474173.db2.gz NZFCODCHEFDCMA-AWEZNQCLSA-N 0 3 372.918 2.267 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H](CO)c2ccccc2)c(OC)c1 ZINC000273082331 550484319 /nfs/dbraw/zinc/48/43/19/550484319.db2.gz HSEZIYALUIHQPN-OALUTQOASA-N 0 3 357.450 2.487 20 30 FEEDHN C=CCNc1ncc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)s1 ZINC000275112258 550570620 /nfs/dbraw/zinc/57/06/20/550570620.db2.gz LQXGQLSQIXBFOF-OCCSQVGLSA-N 0 3 352.529 2.393 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)C(C)C ZINC000275453271 550572345 /nfs/dbraw/zinc/57/23/45/550572345.db2.gz GWMXMMZOHSURTL-IPMKNSEASA-N 0 3 360.502 2.313 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cccnc1C#N ZINC000277189897 550641490 /nfs/dbraw/zinc/64/14/90/550641490.db2.gz OMFYDPVRJGKJOE-DOTOQJQBSA-N 0 3 370.478 2.142 20 30 FEEDHN CCOC(=O)N1CC[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278729124 550815746 /nfs/dbraw/zinc/81/57/46/550815746.db2.gz UJKLVUJWALOALM-KRWDZBQOSA-N 0 3 368.441 2.179 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000278841299 550827965 /nfs/dbraw/zinc/82/79/65/550827965.db2.gz RMWNSCSNIZVEMA-VAMGGRTRSA-N 0 3 358.482 2.375 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000278843793 550828112 /nfs/dbraw/zinc/82/81/12/550828112.db2.gz LGURWTNCQMTXED-PFWMLDTASA-N 0 3 369.465 2.314 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H]1N(C)C ZINC000279408240 550886908 /nfs/dbraw/zinc/88/69/08/550886908.db2.gz IOTBLPNQVAJINA-WBVHZDCISA-N 0 3 356.451 2.331 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3ncccc3F)CC2)cc1 ZINC000279918087 550942899 /nfs/dbraw/zinc/94/28/99/550942899.db2.gz FGHKTSYLECFMEM-KRWDZBQOSA-N 0 3 363.396 2.123 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@H]1N1CCCC1 ZINC000280208223 550971569 /nfs/dbraw/zinc/97/15/69/550971569.db2.gz FTNMYUVZUKCVKT-GUDVDZBRSA-N 0 3 368.506 2.279 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[S@@](=O)Cc2ccccc2)cc1 ZINC000280260772 550974960 /nfs/dbraw/zinc/97/49/60/550974960.db2.gz CLUXUZRISPPTAM-AFMDSPMNSA-N 0 3 365.458 2.306 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000281425289 551095906 /nfs/dbraw/zinc/09/59/06/551095906.db2.gz DIWXZYHIKLGNQH-ILXRZTDVSA-N 0 3 351.328 2.155 20 30 FEEDHN COc1cc(CN[C@H](C)CN2CCN(c3ccccn3)CC2)ccc1C#N ZINC000281644265 551124671 /nfs/dbraw/zinc/12/46/71/551124671.db2.gz JEMSCCLUJDIHFH-QGZVFWFLSA-N 0 3 365.481 2.262 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CC(c3ccc(C)cc3)=NO2)CC1 ZINC000282076576 551177327 /nfs/dbraw/zinc/17/73/27/551177327.db2.gz BUAKZZAHJONFNC-GOSISDBHSA-N 0 3 356.470 2.438 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)NC2CCN(CC(=C)C)CC2)c(F)c1 ZINC000283035322 551301171 /nfs/dbraw/zinc/30/11/71/551301171.db2.gz USYBMFLODNJWEW-UHFFFAOYSA-N 0 3 361.392 2.041 20 30 FEEDHN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000283667529 551406101 /nfs/dbraw/zinc/40/61/01/551406101.db2.gz QVABHJQPXRFWSE-KRWDZBQOSA-N 0 3 370.501 2.018 20 30 FEEDHN Cc1nn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c(=O)c(C#N)c1C ZINC000284401994 551541765 /nfs/dbraw/zinc/54/17/65/551541765.db2.gz ZTNGDVYVOAPBKU-SFHVURJKSA-N 0 3 352.438 2.023 20 30 FEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000498593084 561529772 /nfs/dbraw/zinc/52/97/72/561529772.db2.gz OWNHCVDMKNSNGX-GOSISDBHSA-N 0 3 367.515 2.297 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H](C)c2ccc(F)cc2)CC1 ZINC000285086607 551702263 /nfs/dbraw/zinc/70/22/63/551702263.db2.gz PJVWEBANHLAGLM-HNNXBMFYSA-N 0 3 361.461 2.202 20 30 FEEDHN CCN1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000285343956 551741406 /nfs/dbraw/zinc/74/14/06/551741406.db2.gz DCZBXBIFBTXWGD-UHFFFAOYSA-N 0 3 358.461 2.468 20 30 FEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000286034697 551840905 /nfs/dbraw/zinc/84/09/05/551840905.db2.gz BGLRHMWJEVCXPB-YQVWRLOYSA-N 0 3 370.472 2.466 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000286468597 551889071 /nfs/dbraw/zinc/88/90/71/551889071.db2.gz ILXJIGCNUPVIMX-PKOBYXMFSA-N 0 3 369.509 2.233 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000286508150 551894349 /nfs/dbraw/zinc/89/43/49/551894349.db2.gz KTJZQFVEIDIBHX-VQIMIIECSA-N 0 3 373.472 2.345 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCc3sccc3[C@H]2C)CC1 ZINC000286611424 551905985 /nfs/dbraw/zinc/90/59/85/551905985.db2.gz LIZRWJLLCKVETI-CQSZACIVSA-N 0 3 361.511 2.351 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@H](C)Sc2ccccc2)CC1 ZINC000286711405 551917342 /nfs/dbraw/zinc/91/73/42/551917342.db2.gz QMTIOVKXZRQRKA-HNNXBMFYSA-N 0 3 361.511 2.050 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000286716063 551918062 /nfs/dbraw/zinc/91/80/62/551918062.db2.gz PHXRNAOXLCCGFX-MJGOQNOKSA-N 0 3 355.482 2.356 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286729883 551919649 /nfs/dbraw/zinc/91/96/49/551919649.db2.gz XQZKZEFRSAOXHL-UKRRQHHQSA-N 0 3 355.360 2.380 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)o1 ZINC000286811629 551928733 /nfs/dbraw/zinc/92/87/33/551928733.db2.gz UJWQIUSPYQDUQR-IBGZPJMESA-N 0 3 371.462 2.438 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CCc3ccccc3C2)CC1 ZINC000286831938 551931059 /nfs/dbraw/zinc/93/10/59/551931059.db2.gz XHBNWEKMXHGAGW-FQEVSTJZSA-N 0 3 369.509 2.159 20 30 FEEDHN COc1ccc(CN2CC[C@H](N[C@H]3CCC[C@H](C#N)C3)C2=O)c(OC)c1 ZINC000287155839 551970240 /nfs/dbraw/zinc/97/02/40/551970240.db2.gz SWQGQGNOWAVXKF-ZVZYQTTQSA-N 0 3 357.454 2.477 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCCO2)cc1 ZINC000287455736 552006489 /nfs/dbraw/zinc/00/64/89/552006489.db2.gz XFIYWIZYOYHKLR-JSGCOSHPSA-N 0 3 351.428 2.063 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C)CCOCC2)cc1 ZINC000287466181 552007791 /nfs/dbraw/zinc/00/77/91/552007791.db2.gz XXPAJLFWZJBFAA-CYBMUJFWSA-N 0 3 365.455 2.311 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C(N)=O)c(Cl)n1)C(C)C ZINC000287584315 552021845 /nfs/dbraw/zinc/02/18/45/552021845.db2.gz NSXGGWBIUHYYBB-OAHLLOKOSA-N 0 3 364.877 2.262 20 30 FEEDHN N#Cc1cc(Br)ccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000287808230 552049104 /nfs/dbraw/zinc/04/91/04/552049104.db2.gz OYJHLDZDERWFDO-CQSZACIVSA-N 0 3 364.287 2.475 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000288188400 552106977 /nfs/dbraw/zinc/10/69/77/552106977.db2.gz DQOFGUNDGZZSDA-UHFFFAOYSA-N 0 3 364.405 2.197 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000288272614 552123537 /nfs/dbraw/zinc/12/35/37/552123537.db2.gz UVKQGBLHELMTSM-NRFANRHFSA-N 0 3 369.509 2.375 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000288518199 552167776 /nfs/dbraw/zinc/16/77/76/552167776.db2.gz PCDCIDRSDAJLEA-AZUAARDMSA-N 0 3 357.498 2.421 20 30 FEEDHN C=CCN1CC[C@H](N(C)CCCCCn2nnc(-c3ccccc3)n2)C1=O ZINC000500018050 561564175 /nfs/dbraw/zinc/56/41/75/561564175.db2.gz KNKLJQUTNRAVQT-SFHVURJKSA-N 0 3 368.485 2.229 20 30 FEEDHN Cc1ncsc1CON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000289481148 552328534 /nfs/dbraw/zinc/32/85/34/552328534.db2.gz YAXHLUZDDTZJHE-UHFFFAOYSA-N 0 3 360.483 2.245 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)c1 ZINC000290616198 552507251 /nfs/dbraw/zinc/50/72/51/552507251.db2.gz KVQBMOFWMFIISK-UHFFFAOYSA-N 0 3 367.409 2.370 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000291247199 552605937 /nfs/dbraw/zinc/60/59/37/552605937.db2.gz JRDVGEPCOIGATQ-ACJLOTCBSA-N 0 3 368.412 2.443 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)cc1F ZINC000291272584 552609128 /nfs/dbraw/zinc/60/91/28/552609128.db2.gz LGTSSNIIZLLLEE-INIZCTEOSA-N 0 3 358.417 2.113 20 30 FEEDHN COCCCN(C(=O)Cc1cccc(OCC#N)c1)C1CCN(C)CC1 ZINC000291372521 552619831 /nfs/dbraw/zinc/61/98/31/552619831.db2.gz ZPHWPLBTQCJQAX-UHFFFAOYSA-N 0 3 359.470 2.091 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H](O)COCc3ccccc3F)C2)nc1 ZINC000292096129 552693253 /nfs/dbraw/zinc/69/32/53/552693253.db2.gz FXPICIPBWBOWPO-QZTJIDSGSA-N 0 3 371.412 2.123 20 30 FEEDHN C#CCNC(=O)CCN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000292668471 552748057 /nfs/dbraw/zinc/74/80/57/552748057.db2.gz AXCQMUZSCKXXBD-OAHLLOKOSA-N 0 3 356.401 2.195 20 30 FEEDHN C=CCOCCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000292737909 552753934 /nfs/dbraw/zinc/75/39/34/552753934.db2.gz HAYWLKQERVJWEM-KRWDZBQOSA-N 0 3 352.500 2.188 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(N3CCOCC3)c2)cc1 ZINC000293816298 552859171 /nfs/dbraw/zinc/85/91/71/552859171.db2.gz RCXKUPSLECBFCC-HXUWFJFHSA-N 0 3 374.444 2.394 20 30 FEEDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1sccc1C#N ZINC000294226808 552889622 /nfs/dbraw/zinc/88/96/22/552889622.db2.gz XJWOITLCTKRKQP-UHFFFAOYSA-N 0 3 362.480 2.210 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cn(CCc3ccccc3)nn2)CC1 ZINC000294550032 552914842 /nfs/dbraw/zinc/91/48/42/552914842.db2.gz IPQYUYOWHQATPA-UHFFFAOYSA-N 0 3 353.470 2.291 20 30 FEEDHN CN(C)CCNC(=O)c1ccc(CNC(=O)[C@]2(C#N)CC23CCCC3)cc1 ZINC000294611421 552920423 /nfs/dbraw/zinc/92/04/23/552920423.db2.gz MYPDICMAGFEBGJ-OAQYLSRUSA-N 0 3 368.481 2.068 20 30 FEEDHN C=C(C)COc1cc(CN[C@@H](CC)CNS(C)(=O)=O)ccc1OC ZINC000294935740 552945551 /nfs/dbraw/zinc/94/55/51/552945551.db2.gz BWGSBGBVYADNQW-HNNXBMFYSA-N 0 3 356.488 2.068 20 30 FEEDHN C=CCOc1ccc(CC(=O)NC[C@@H](C)CN2CCN(CC)CC2)cc1 ZINC000295010703 552951120 /nfs/dbraw/zinc/95/11/20/552951120.db2.gz XLKVJYKHOZSPJJ-GOSISDBHSA-N 0 3 359.514 2.184 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295115689 552960414 /nfs/dbraw/zinc/96/04/14/552960414.db2.gz JBMGDGXAHMEZQO-PKOBYXMFSA-N 0 3 374.529 2.429 20 30 FEEDHN CC1(C)[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]2CCO[C@H]21 ZINC000296089806 553103240 /nfs/dbraw/zinc/10/32/40/553103240.db2.gz HJJHQLAAEJETPM-CGTJXYLNSA-N 0 3 365.437 2.086 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000296993249 553239579 /nfs/dbraw/zinc/23/95/79/553239579.db2.gz SSLFWUOKUVPBSX-SJORKVTESA-N 0 3 351.397 2.049 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000297175123 553259573 /nfs/dbraw/zinc/25/95/73/553259573.db2.gz AZNSMLRGFKWKDH-UHFFFAOYSA-N 0 3 361.461 2.471 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000299253880 553537456 /nfs/dbraw/zinc/53/74/56/553537456.db2.gz ZFFJZASWPDWGDI-FQEVSTJZSA-N 0 3 369.509 2.331 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000299305975 553545448 /nfs/dbraw/zinc/54/54/48/553545448.db2.gz ACRFCIJQYZTBEH-CQSZACIVSA-N 0 3 358.486 2.445 20 30 FEEDHN N#CCC[C@@H](C#N)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000299590640 553585497 /nfs/dbraw/zinc/58/54/97/553585497.db2.gz SWDSYULCLIJVPQ-VQTJNVASSA-N 0 3 366.513 2.359 20 30 FEEDHN N#Cc1ccc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1C(F)(F)F ZINC000301906883 553691032 /nfs/dbraw/zinc/69/10/32/553691032.db2.gz AIPDWQDZULQAIK-MRXNPFEDSA-N 0 3 366.387 2.496 20 30 FEEDHN Cc1[nH]ncc1CNC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000328640123 553800935 /nfs/dbraw/zinc/80/09/35/553800935.db2.gz XDYNPQOCGKXHBS-INIZCTEOSA-N 0 3 370.457 2.281 20 30 FEEDHN CS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2CC2CCCCC2)C1 ZINC000328714647 553811042 /nfs/dbraw/zinc/81/10/42/553811042.db2.gz ODAFBSVORJLDMC-DLBZAZTESA-N 0 3 371.547 2.064 20 30 FEEDHN O=C(CN[C@@H]1CCC(=O)NC12CCC2)NC[C@@H]1COc2ccccc2O1 ZINC000328722270 553812554 /nfs/dbraw/zinc/81/25/54/553812554.db2.gz XKRUGVKNGCSTMG-CZUORRHYSA-N 0 3 359.426 2.414 20 30 FEEDHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000328802654 553824812 /nfs/dbraw/zinc/82/48/12/553824812.db2.gz CGWJEAIRCQVVTC-VNQPRFMTSA-N 0 3 364.490 2.227 20 30 FEEDHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000328954681 553852956 /nfs/dbraw/zinc/85/29/56/553852956.db2.gz IOAYALHSYDSQRK-ZWOKBUDYSA-N 0 3 368.437 2.360 20 30 FEEDHN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978061 553857560 /nfs/dbraw/zinc/85/75/60/553857560.db2.gz QQWJUZWWWLLRKD-KHYOSLBOSA-N 0 3 362.426 2.255 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000329040675 553869724 /nfs/dbraw/zinc/86/97/24/553869724.db2.gz DKQJKICZOYJSSX-INIZCTEOSA-N 0 3 351.491 2.189 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C1 ZINC000329471904 553953162 /nfs/dbraw/zinc/95/31/62/553953162.db2.gz ZWIWSSLIOOPZNI-FGTMMUONSA-N 0 3 364.534 2.211 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CN1C1CC1 ZINC000329529358 553962819 /nfs/dbraw/zinc/96/28/19/553962819.db2.gz TWGZXEUGMPZPMO-ALQDCCJHSA-N 0 3 357.454 2.167 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CCN1C ZINC000329706279 553992655 /nfs/dbraw/zinc/99/26/55/553992655.db2.gz JWIWLRCHEJANSB-CJNGLKHVSA-N 0 3 365.499 2.162 20 30 FEEDHN [O-]C(=[NH+]CC1(N2CCSCC2)CCCC1)N1CC[C@@H](n2cccn2)C1 ZINC000329800057 554008178 /nfs/dbraw/zinc/00/81/78/554008178.db2.gz ILTFFPJCXFPTJZ-MRXNPFEDSA-N 0 3 363.531 2.406 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)N1CC[C@@H](n2cccn2)C1 ZINC000329800057 554008174 /nfs/dbraw/zinc/00/81/74/554008174.db2.gz ILTFFPJCXFPTJZ-MRXNPFEDSA-N 0 3 363.531 2.406 20 30 FEEDHN Cc1nc2ccc(NC(=O)NC3CCN(CCOC(C)C)CC3)cn2n1 ZINC000329802117 554008581 /nfs/dbraw/zinc/00/85/81/554008581.db2.gz ZBXZOVUZUYCEFE-UHFFFAOYSA-N 0 3 360.462 2.253 20 30 FEEDHN CC(C)N1CCCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000329816811 554011699 /nfs/dbraw/zinc/01/16/99/554011699.db2.gz WGLVKRBWOZQTPZ-UHFFFAOYSA-N 0 3 351.520 2.442 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000329892507 554025645 /nfs/dbraw/zinc/02/56/45/554025645.db2.gz AASGGCWAKRABOL-IEBWSBKVSA-N 0 3 374.529 2.124 20 30 FEEDHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000329894537 554026442 /nfs/dbraw/zinc/02/64/42/554026442.db2.gz BLFFSIMZLOCXOH-OWYHZJEWSA-N 0 3 370.497 2.021 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CCCN(C(C)C)CC2)C12CCOCC2 ZINC000329915940 554031257 /nfs/dbraw/zinc/03/12/57/554031257.db2.gz DKUGEVNMJYJLGS-DLBZAZTESA-N 0 3 353.507 2.291 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000329923098 554032506 /nfs/dbraw/zinc/03/25/06/554032506.db2.gz GUNKZXZCAZQDMX-CABCVRRESA-N 0 3 365.478 2.355 20 30 FEEDHN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H](C)C3=CCN(C)CC3)CCO2)o1 ZINC000329987888 554044588 /nfs/dbraw/zinc/04/45/88/554044588.db2.gz TUAUGDNIELJPHC-ZFWWWQNUSA-N 0 3 363.462 2.131 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CN1C1CC1 ZINC000330086364 554062324 /nfs/dbraw/zinc/06/23/24/554062324.db2.gz MECRKHOSLVRQCZ-ZBFHGGJFSA-N 0 3 372.517 2.333 20 30 FEEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000330146947 554073710 /nfs/dbraw/zinc/07/37/10/554073710.db2.gz TUPORCMLFGFGOO-QWHCGFSZSA-N 0 3 357.414 2.432 20 30 FEEDHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)Nc1nc2c(s1)CCCC2 ZINC000330205231 554084813 /nfs/dbraw/zinc/08/48/13/554084813.db2.gz CHGFPSMRYDBWEK-CQSZACIVSA-N 0 3 364.515 2.264 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(CC)[C@@H]1c1cnn(C)c1 ZINC000330310938 554103418 /nfs/dbraw/zinc/10/34/18/554103418.db2.gz VJVIUSIIRXKIRE-JFIYKMOQSA-N 0 3 361.490 2.161 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)C1 ZINC000330505016 554130604 /nfs/dbraw/zinc/13/06/04/554130604.db2.gz JQHJAVLVJMOGBR-OAHLLOKOSA-N 0 3 353.488 2.162 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000331406830 554259246 /nfs/dbraw/zinc/25/92/46/554259246.db2.gz UIVKRYTYWOTKFS-OALUTQOASA-N 0 3 364.449 2.102 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)C2)n1 ZINC000331582398 554289025 /nfs/dbraw/zinc/28/90/25/554289025.db2.gz JFMZRHKKIAQTFV-SNRMKQJTSA-N 0 3 369.513 2.323 20 30 FEEDHN C=C(CNC(=O)C(=O)Nc1cccc(OCCN(C)C)c1)c1ccccc1 ZINC000510019394 561822192 /nfs/dbraw/zinc/82/21/92/561822192.db2.gz XHRCGXKBZUSPOY-UHFFFAOYSA-N 0 3 367.449 2.395 20 30 FEEDHN Cc1cc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)c(C#N)cc1N(C)C ZINC000332648953 554490610 /nfs/dbraw/zinc/49/06/10/554490610.db2.gz XZSPKCHYDZCTMM-MRXNPFEDSA-N 0 3 372.517 2.080 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000333056406 554565699 /nfs/dbraw/zinc/56/56/99/554565699.db2.gz CMTZQBABXFQSRQ-JFRXWTBNSA-N 0 3 365.518 2.251 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CCN(C(C)C)C3)CC2)o1 ZINC000333759000 554640102 /nfs/dbraw/zinc/64/01/02/554640102.db2.gz OTORTAQKLAINFF-INIZCTEOSA-N 0 3 359.474 2.012 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@H]2CCCN(Cc3cccs3)C2)C1=O ZINC000348513878 554687612 /nfs/dbraw/zinc/68/76/12/554687612.db2.gz ONAOBSNRQIBHCF-GOEBONIOSA-N 0 3 363.483 2.083 20 30 FEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000361285608 554914791 /nfs/dbraw/zinc/91/47/91/554914791.db2.gz AQMGDKMMPNFDOT-MSOLQXFVSA-N 0 3 374.441 2.156 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)C2CCN(c3ccccn3)CC2)CC1 ZINC000363009071 555009463 /nfs/dbraw/zinc/00/94/63/555009463.db2.gz LLMMWHYBZKJNOV-UHFFFAOYSA-N 0 3 357.502 2.342 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000363858154 555200903 /nfs/dbraw/zinc/20/09/03/555200903.db2.gz QYXFNFOIUSSFJY-ZWKOTPCHSA-N 0 3 350.422 2.337 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000364088224 555247065 /nfs/dbraw/zinc/24/70/65/555247065.db2.gz WZZOCZJXMBFOIJ-UHOSZYNNSA-N 0 3 369.513 2.381 20 30 FEEDHN C=CCOc1ccc(CNCc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000512536912 561908565 /nfs/dbraw/zinc/90/85/65/561908565.db2.gz MGHHWQBXMDMDOO-UHFFFAOYSA-N 0 3 353.470 2.083 20 30 FEEDHN C[C@H]1CN(C2CCN(CCC(=O)Nc3sccc3C#N)CC2)CCO1 ZINC000364729575 555387056 /nfs/dbraw/zinc/38/70/56/555387056.db2.gz IODHJOPKCYSWAA-AWEZNQCLSA-N 0 3 362.499 2.133 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000512708087 561913157 /nfs/dbraw/zinc/91/31/57/561913157.db2.gz NBXFFTFJUCEMEQ-UHFFFAOYSA-N 0 3 354.498 2.497 20 30 FEEDHN C=CCNC(=O)NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000364872779 555421798 /nfs/dbraw/zinc/42/17/98/555421798.db2.gz NNXVWFNOEFUXHL-XJKSGUPXSA-N 0 3 351.834 2.019 20 30 FEEDHN COc1ccc(CN2CCCN([C@@H](C)CO)CC2)cc1OCCCC#N ZINC000364924477 555438922 /nfs/dbraw/zinc/43/89/22/555438922.db2.gz UTEWPOCNBZLVAV-KRWDZBQOSA-N 0 3 361.486 2.266 20 30 FEEDHN CCc1nc(CN2C[C@@H]3CN(Cc4ccc(C#N)c(F)c4)C[C@H]3C2)no1 ZINC000365267947 555527952 /nfs/dbraw/zinc/52/79/52/555527952.db2.gz ORKQPJDUZQWRRZ-HOTGVXAUSA-N 0 3 355.417 2.207 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3[C@H](C(N)=O)C[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000366090811 555748433 /nfs/dbraw/zinc/74/84/33/555748433.db2.gz ZBGMEGCSUNKIBD-BVBHFADKSA-N 0 3 366.465 2.172 20 30 FEEDHN CC(C)(C)C(=O)N1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000366379298 555827746 /nfs/dbraw/zinc/82/77/46/555827746.db2.gz GIOJBPJKLRAESV-SFHVURJKSA-N 0 3 366.465 2.348 20 30 FEEDHN C[C@@H]1C[C@@H](Nc2cc(S(N)(=O)=O)ccc2C#N)CN1Cc1ccccc1 ZINC000367338683 556021951 /nfs/dbraw/zinc/02/19/51/556021951.db2.gz CVHNIPSQJJSMAR-RHSMWYFYSA-N 0 3 370.478 2.281 20 30 FEEDHN Cn1cc([C@H]2[C@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCCN2C)cn1 ZINC000367732387 556125656 /nfs/dbraw/zinc/12/56/56/556125656.db2.gz ZIBJGIBSKYDJEE-YVEFUNNKSA-N 0 3 369.429 2.277 20 30 FEEDHN COc1ccc2c(c1)OCCC[C@H]2NCCNC(=O)C1N=CC=CC1=O ZINC000368330001 556279637 /nfs/dbraw/zinc/27/96/37/556279637.db2.gz FRHULXAYMYLSDV-RAJOGRCSSA-N 0 3 357.410 2.025 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000515515264 562013663 /nfs/dbraw/zinc/01/36/63/562013663.db2.gz MZIHIKQVGPQXOS-QGZVFWFLSA-N 0 3 360.479 2.329 20 30 FEEDHN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000368666137 556379332 /nfs/dbraw/zinc/37/93/32/556379332.db2.gz CJTPZUPPDPTOOP-MISYRCLQSA-N 0 3 371.481 2.163 20 30 FEEDHN C=CCN(C(=O)N[C@H](C)c1nncn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368924140 556449731 /nfs/dbraw/zinc/44/97/31/556449731.db2.gz HWWFTGKTLBSHQQ-AEFFLSMTSA-N 0 3 368.485 2.348 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000515638008 562017953 /nfs/dbraw/zinc/01/79/53/562017953.db2.gz NGVFTFOBOGFFMQ-HKUYNNGSSA-N 0 3 355.413 2.306 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(-n3ccnc3)nc2)CC1 ZINC000369041873 556486037 /nfs/dbraw/zinc/48/60/37/556486037.db2.gz OHDSTUIOKREDKP-UHFFFAOYSA-N 0 3 354.458 2.107 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)CC1 ZINC000370015011 556758241 /nfs/dbraw/zinc/75/82/41/556758241.db2.gz BFAYNPGKODYWHJ-IEBWSBKVSA-N 0 3 367.493 2.200 20 30 FEEDHN N#Cc1cccc(F)c1CC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000517252208 562082853 /nfs/dbraw/zinc/08/28/53/562082853.db2.gz MMECWUJSKYPKSB-SFHVURJKSA-N 0 3 367.424 2.123 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371228714 557113299 /nfs/dbraw/zinc/11/32/99/557113299.db2.gz HRZHPFAUQQIFFM-CRAIPNDOSA-N 0 3 356.470 2.199 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)CC1 ZINC000517987517 562101947 /nfs/dbraw/zinc/10/19/47/562101947.db2.gz ICQNALCSDQWRPI-IBGZPJMESA-N 0 3 372.513 2.277 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCCCN2C(=O)C2CCCC2)CC1 ZINC000371824948 557304486 /nfs/dbraw/zinc/30/44/86/557304486.db2.gz OMRBMZKMMQEECW-IBGZPJMESA-N 0 3 359.514 2.162 20 30 FEEDHN COC(=O)c1cn([C@@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)nn1 ZINC000371846509 557310435 /nfs/dbraw/zinc/31/04/35/557310435.db2.gz OZKDBCSWXYCHLC-OAHLLOKOSA-N 0 3 353.426 2.313 20 30 FEEDHN C[C@H](C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)N1[C@H](C)CC[C@@H]1C ZINC000372218839 557412789 /nfs/dbraw/zinc/41/27/89/557412789.db2.gz QPVWZFXHPWMGEK-VLXUNWKESA-N 0 3 366.465 2.120 20 30 FEEDHN CCN1CCC[C@H](NC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000372370976 557452612 /nfs/dbraw/zinc/45/26/12/557452612.db2.gz VDFQLVOUFOCJIX-INIZCTEOSA-N 0 3 352.442 2.658 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)CC1 ZINC000373948175 557794022 /nfs/dbraw/zinc/79/40/22/557794022.db2.gz AGUAEWNYBGDIAE-APWZRJJASA-N 0 3 370.497 2.126 20 30 FEEDHN CN1CCC2(CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 ZINC000374075758 557819051 /nfs/dbraw/zinc/81/90/51/557819051.db2.gz WMPDMUKZSRHGKF-UHFFFAOYSA-N 0 3 361.511 2.140 20 30 FEEDHN C=CCN1CC[C@H](N(C)Cc2ccccc2N(C)C2CCN(C)CC2)C1=O ZINC000374185530 557839624 /nfs/dbraw/zinc/83/96/24/557839624.db2.gz DIQSFFXODIFLGI-NRFANRHFSA-N 0 3 370.541 2.436 20 30 FEEDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000374827943 557937087 /nfs/dbraw/zinc/93/70/87/557937087.db2.gz ORMWYKJEKNPXTI-SJLPKXTDSA-N 0 3 353.426 2.153 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CCC(=O)NC23CCC3)c1C ZINC000374856271 557941670 /nfs/dbraw/zinc/94/16/70/557941670.db2.gz NQRMCELEOHXYIY-SFHVURJKSA-N 0 3 368.481 2.341 20 30 FEEDHN CN1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000375070838 557973561 /nfs/dbraw/zinc/97/35/61/557973561.db2.gz JZPOWZVPUNXWKC-WOJBJXKFSA-N 0 3 369.490 2.367 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCN([C@@H](C)CO)CC2)cc1 ZINC000375492834 558037060 /nfs/dbraw/zinc/03/70/60/558037060.db2.gz GNJNMBQPGQVRSL-RBUKOAKNSA-N 0 3 372.513 2.019 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000521560791 562178779 /nfs/dbraw/zinc/17/87/79/562178779.db2.gz XXGUIWAFJFPYJR-IEBWSBKVSA-N 0 3 360.479 2.186 20 30 FEEDHN CCc1nc(CN2C[C@H]3CN(Cc4cc(C#N)ccc4OC)C[C@H]3C2)no1 ZINC000378216942 558504494 /nfs/dbraw/zinc/50/44/94/558504494.db2.gz KYUTVKITCYYBRB-CALCHBBNSA-N 0 3 367.453 2.076 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000409534291 558700991 /nfs/dbraw/zinc/70/09/91/558700991.db2.gz JGZXJNUKJAROSI-UHFFFAOYSA-N 0 3 364.515 2.242 20 30 FEEDHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000411698864 558946446 /nfs/dbraw/zinc/94/64/46/558946446.db2.gz VHVGDRIZIDUPSV-UHFFFAOYSA-N 0 3 356.451 2.149 20 30 FEEDHN C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)NCCN1CCCCC1 ZINC000412325870 559027811 /nfs/dbraw/zinc/02/78/11/559027811.db2.gz YOXMAAGIOGMUNV-IEBWSBKVSA-N 0 3 370.497 2.181 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412773812 559055443 /nfs/dbraw/zinc/05/54/43/559055443.db2.gz NPMMZHFFJASLMD-UHFFFAOYSA-N 0 3 353.422 2.217 20 30 FEEDHN Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413217092 559089399 /nfs/dbraw/zinc/08/93/99/559089399.db2.gz XGQOTINGUVNBIS-WBVHZDCISA-N 0 3 357.458 2.237 20 30 FEEDHN C[C@@H](C(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000413258067 559092852 /nfs/dbraw/zinc/09/28/52/559092852.db2.gz DKGAGBGIQAOTEO-OAHLLOKOSA-N 0 3 359.470 2.426 20 30 FEEDHN N#Cc1cccc(COc2cccc(CN3CC[C@@H](O)[C@H](CO)C3)c2)c1 ZINC000414556054 559171240 /nfs/dbraw/zinc/17/12/40/559171240.db2.gz JEEHUHOXRHIIMR-PZJWPPBQSA-N 0 3 352.434 2.312 20 30 FEEDHN CC1(C#N)CCN(C(=O)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415042375 559202082 /nfs/dbraw/zinc/20/20/82/559202082.db2.gz QQYKPXQIBDUQOQ-UHFFFAOYSA-N 0 3 368.359 2.255 20 30 FEEDHN N#CCCCOc1cccc(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)c1 ZINC000415396920 559231063 /nfs/dbraw/zinc/23/10/63/559231063.db2.gz VCVUVGIWELNRFJ-GOSISDBHSA-N 0 3 366.421 2.124 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000527197976 562279969 /nfs/dbraw/zinc/27/99/69/562279969.db2.gz NRSAAYYUKWLPSS-SFHVURJKSA-N 0 3 362.518 2.260 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H](C)CN1 ZINC000415562100 559249960 /nfs/dbraw/zinc/24/99/60/559249960.db2.gz OINBOMNOANSIJL-CABCVRRESA-N 0 3 369.469 2.484 20 30 FEEDHN N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000415833948 559276463 /nfs/dbraw/zinc/27/64/63/559276463.db2.gz IHVZXFPTOOJKIU-HNNXBMFYSA-N 0 3 360.483 2.265 20 30 FEEDHN COc1cc(NC(=O)c2cc(C)c(C#N)cn2)ccc1OCCN(C)C ZINC000416335655 559306406 /nfs/dbraw/zinc/30/64/06/559306406.db2.gz VYJUVGMQVBWNQG-UHFFFAOYSA-N 0 3 354.410 2.463 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416684751 559329532 /nfs/dbraw/zinc/32/95/32/559329532.db2.gz LRNNGTVMXFFVLB-IEBWSBKVSA-N 0 3 356.470 2.346 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCNC[C@H]1c1cccnc1)C(C)C ZINC000417061770 559346271 /nfs/dbraw/zinc/34/62/71/559346271.db2.gz LGORUGZVHYRSFZ-UXHICEINSA-N 0 3 371.529 2.436 20 30 FEEDHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCc2cccc(C#N)c2)cc1 ZINC000419082215 559427529 /nfs/dbraw/zinc/42/75/29/559427529.db2.gz TYGJFWHHNYZNPW-LJQANCHMSA-N 0 3 364.449 2.114 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N[C@H](CN)CCCC)c1ccc(F)c(F)c1 ZINC000419678568 559453497 /nfs/dbraw/zinc/45/34/97/559453497.db2.gz OJHYETHXTADHHA-BBRMVZONSA-N 0 3 353.413 2.332 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c(C#N)cn1CC ZINC000421172322 559528587 /nfs/dbraw/zinc/52/85/87/559528587.db2.gz JLXUSLXHMJUASV-DZGCQCFKSA-N 0 3 373.457 2.114 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N(C)C[C@H]2CCCN2C)c(C#N)cn1CC ZINC000421181932 559529476 /nfs/dbraw/zinc/52/94/76/559529476.db2.gz KDDCYIOFELOFFK-CQSZACIVSA-N 0 3 361.446 2.114 20 30 FEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1F ZINC000421326952 559539247 /nfs/dbraw/zinc/53/92/47/559539247.db2.gz PCMOIOUHUYLNRB-MRXNPFEDSA-N 0 3 369.396 2.112 20 30 FEEDHN CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000421710877 559550473 /nfs/dbraw/zinc/55/04/73/559550473.db2.gz MTSPDYXYEPPZRP-GDBMZVCRSA-N 0 3 374.872 2.117 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000422301040 559576963 /nfs/dbraw/zinc/57/69/63/559576963.db2.gz WBAYHCKEJDQNPH-RTBURBONSA-N 0 3 369.509 2.423 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000422533228 559593263 /nfs/dbraw/zinc/59/32/63/559593263.db2.gz WSZFKVNGADLLQB-LJQANCHMSA-N 0 3 357.498 2.233 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000424098484 559654725 /nfs/dbraw/zinc/65/47/25/559654725.db2.gz CVFPZWSFGLDCNC-LSDHHAIUSA-N 0 3 366.259 2.370 20 30 FEEDHN CN1CC[C@H](NC(=O)[C@H](N)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424178700 559656946 /nfs/dbraw/zinc/65/69/46/559656946.db2.gz XETFZSKUXOLPEK-OWCLPIDISA-N 0 3 352.841 2.362 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H](CC)N2CCc3ccccc3C2)nn1 ZINC000425395959 559700108 /nfs/dbraw/zinc/70/01/08/559700108.db2.gz OPJFKUFUXIDKHI-IBGZPJMESA-N 0 3 368.485 2.100 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)nn1 ZINC000425470323 559703957 /nfs/dbraw/zinc/70/39/57/559703957.db2.gz FMOKRGADDOINJG-LPHOPBHVSA-N 0 3 368.485 2.174 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000425503219 559706157 /nfs/dbraw/zinc/70/61/57/559706157.db2.gz RPAYQMDEQDPNLC-DLBZAZTESA-N 0 3 357.502 2.287 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)nn1 ZINC000425765569 559718456 /nfs/dbraw/zinc/71/84/56/559718456.db2.gz HVFOSGBRWRKULO-KRWDZBQOSA-N 0 3 374.514 2.288 20 30 FEEDHN C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425891003 559724280 /nfs/dbraw/zinc/72/42/80/559724280.db2.gz OIFHJHBHJFGXCY-IAGOWNOFSA-N 0 3 370.497 2.458 20 30 FEEDHN COCCCN(C(=O)c1ncc(C#N)cc1Cl)C1CCN(C)CC1 ZINC000427724743 559760941 /nfs/dbraw/zinc/76/09/41/559760941.db2.gz ASTFERULGKPFJN-UHFFFAOYSA-N 0 3 350.850 2.180 20 30 FEEDHN COC(=O)c1ccccc1CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428790221 559783530 /nfs/dbraw/zinc/78/35/30/559783530.db2.gz QNDDMGDZRHHGNS-QGZVFWFLSA-N 0 3 351.406 2.436 20 30 FEEDHN C[C@@H]1C[C@@H]1N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1 ZINC000429019509 559788851 /nfs/dbraw/zinc/78/88/51/559788851.db2.gz JNKUVQHNZFLHMN-SMOSDQRPSA-N 0 3 352.482 2.326 20 30 FEEDHN N#Cc1ccc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000429850662 559807083 /nfs/dbraw/zinc/80/70/83/559807083.db2.gz NJGXZUIREHVAEB-UHFFFAOYSA-N 0 3 366.465 2.479 20 30 FEEDHN N#CCC1(CNC(=O)NCc2ccccc2CN2CCC[C@H]2CO)CC1 ZINC000430911183 559830042 /nfs/dbraw/zinc/83/00/42/559830042.db2.gz GKPBVILAIYACJV-SFHVURJKSA-N 0 3 356.470 2.136 20 30 FEEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(C#N)c(OC)c1 ZINC000440809960 560018686 /nfs/dbraw/zinc/01/86/86/560018686.db2.gz BRBNLMQZFLJJIL-IBGZPJMESA-N 0 3 362.433 2.495 20 30 FEEDHN Cc1cc(CNCCNS(=O)(=O)c2ccc(F)cc2F)ccc1C#N ZINC000441365293 560029968 /nfs/dbraw/zinc/02/99/68/560029968.db2.gz KKQFDDLOUGXCMX-UHFFFAOYSA-N 0 3 365.405 2.213 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000448695467 560194837 /nfs/dbraw/zinc/19/48/37/560194837.db2.gz XFLJZQAMZDHSIN-UXHICEINSA-N 0 3 357.498 2.031 20 30 FEEDHN COc1cccc([C@@H](CNc2nc3c(cc2C#N)COCC3)N(C)C)c1 ZINC000450214545 560254144 /nfs/dbraw/zinc/25/41/44/560254144.db2.gz KHDNWBBMRMXPBK-LJQANCHMSA-N 0 3 352.438 2.749 20 30 FEEDHN N#CCc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c(Cl)c1 ZINC000451052898 560284721 /nfs/dbraw/zinc/28/47/21/560284721.db2.gz FZOWOMWWGPSLBJ-HUUCEWRRSA-N 0 3 353.875 2.311 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524165 560311828 /nfs/dbraw/zinc/31/18/28/560311828.db2.gz BQNBTJKJHGWQAE-LJQANCHMSA-N 0 3 372.488 2.464 20 30 FEEDHN CS(=O)(=O)CC1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000452693515 560371239 /nfs/dbraw/zinc/37/12/39/560371239.db2.gz AIGIYPLFLRCWRN-LXPRWKDFSA-N 0 3 362.495 2.479 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453430566 560386398 /nfs/dbraw/zinc/38/63/98/560386398.db2.gz DKDUXLVAHGYILU-HOTGVXAUSA-N 0 3 351.495 2.109 20 30 FEEDHN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453450827 560387010 /nfs/dbraw/zinc/38/70/10/560387010.db2.gz IEZSCVWHZRGYJI-DLBZAZTESA-N 0 3 365.522 2.499 20 30 FEEDHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453587578 560389888 /nfs/dbraw/zinc/38/98/88/560389888.db2.gz KNAMFVSLDQUEKI-UHFFFAOYSA-N 0 3 364.449 2.282 20 30 FEEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)C1CC1 ZINC000453650609 560393506 /nfs/dbraw/zinc/39/35/06/560393506.db2.gz XAVIVDDZLMJQDC-ZDUSSCGKSA-N 0 3 362.499 2.312 20 30 FEEDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453710629 560398683 /nfs/dbraw/zinc/39/86/83/560398683.db2.gz PGJZDWJRFRJFED-UHFFFAOYSA-N 0 3 362.499 2.410 20 30 FEEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453722459 560399619 /nfs/dbraw/zinc/39/96/19/560399619.db2.gz UCRKHLDURIATSC-UHFFFAOYSA-N 0 3 364.877 2.391 20 30 FEEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000454711155 560455252 /nfs/dbraw/zinc/45/52/52/560455252.db2.gz JCXSDVCFNFUSOG-ZDUSSCGKSA-N 0 3 368.384 2.128 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000454757784 560457035 /nfs/dbraw/zinc/45/70/35/560457035.db2.gz KGPNKGUUYMIQPD-UXHICEINSA-N 0 3 373.497 2.346 20 30 FEEDHN N#CCc1ccc(NC(=O)NC[C@H]2CCCN2CCCO)c(Cl)c1 ZINC000455734875 560493308 /nfs/dbraw/zinc/49/33/08/560493308.db2.gz PXVUQCFOTIDKEQ-CQSZACIVSA-N 0 3 350.850 2.374 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455973023 560502782 /nfs/dbraw/zinc/50/27/82/560502782.db2.gz PCKOCMIUVANERK-IBGZPJMESA-N 0 3 357.498 2.336 20 30 FEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000458704394 560642103 /nfs/dbraw/zinc/64/21/03/560642103.db2.gz AKXFHWOPSJMPDG-SFHVURJKSA-N 0 3 358.486 2.469 20 30 FEEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cc[nH]c(=O)c1 ZINC000458827594 560650775 /nfs/dbraw/zinc/65/07/75/560650775.db2.gz JGOWLHFOXBKADT-HNNXBMFYSA-N 0 3 367.453 2.493 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000459554857 560693895 /nfs/dbraw/zinc/69/38/95/560693895.db2.gz PBYPZIIMWGKZII-BHIYHBOVSA-N 0 3 356.466 2.464 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@H]1CCCN1CC ZINC000460054687 560732006 /nfs/dbraw/zinc/73/20/06/560732006.db2.gz DNFFNISTFOGRPN-LJQANCHMSA-N 0 3 357.498 2.186 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460563387 560746379 /nfs/dbraw/zinc/74/63/79/560746379.db2.gz VHAGOEHYQDQKCW-IKGGRYGDSA-N 0 3 365.522 2.497 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000460754698 560750934 /nfs/dbraw/zinc/75/09/34/560750934.db2.gz CIEXYVCKYLMADK-OALUTQOASA-N 0 3 366.550 2.027 20 30 FEEDHN N#C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000461785885 560783420 /nfs/dbraw/zinc/78/34/20/560783420.db2.gz DDIXIBAOQDZHOI-SJLPKXTDSA-N 0 3 354.454 2.419 20 30 FEEDHN C[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CCC[C@@H](C)C1 ZINC000462128996 560798256 /nfs/dbraw/zinc/79/82/56/560798256.db2.gz OTQJGUCLYYIDAF-HZPDHXFCSA-N 0 3 356.470 2.451 20 30 FEEDHN C=CCN(C(=O)C1CCN(C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000469133840 560947940 /nfs/dbraw/zinc/94/79/40/560947940.db2.gz HPAGYBNBRWTOFR-HNNXBMFYSA-N 0 3 354.458 2.080 20 30 FEEDHN C=CCN(C(=O)C1CCN(C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000469133945 560948028 /nfs/dbraw/zinc/94/80/28/560948028.db2.gz HPAGYBNBRWTOFR-OAHLLOKOSA-N 0 3 354.458 2.080 20 30 FEEDHN CCOC(=O)[C@@](C)(CN[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000469276878 560951541 /nfs/dbraw/zinc/95/15/41/560951541.db2.gz WOGICVRWUGSGCW-KXBFYZLASA-N 0 3 357.454 2.048 20 30 FEEDHN C[C@H](CO)N1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000470412173 560981053 /nfs/dbraw/zinc/98/10/53/560981053.db2.gz TYNZFBIEQWPKOA-GFCCVEGCSA-N 0 3 370.375 2.497 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)CC1 ZINC000471403763 561003933 /nfs/dbraw/zinc/00/39/33/561003933.db2.gz DUIUEOPKCYZFGM-UHFFFAOYSA-N 0 3 355.442 2.299 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000472999301 561039960 /nfs/dbraw/zinc/03/99/60/561039960.db2.gz ITUDENSZYFVRAQ-MSOLQXFVSA-N 0 3 350.507 2.068 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1)C(C)C ZINC000474062686 561064803 /nfs/dbraw/zinc/06/48/03/561064803.db2.gz WPYGBEIOVNULDY-NSHGMRRFSA-N 0 3 365.518 2.274 20 30 FEEDHN C[C@H]1C[C@H](N(C)C(=O)c2cnn(C)c2C#N)CCN1Cc1ccccc1 ZINC000476083181 561111022 /nfs/dbraw/zinc/11/10/22/561111022.db2.gz BEFROPUIJSXZGJ-DOTOQJQBSA-N 0 3 351.454 2.417 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000528405415 562327139 /nfs/dbraw/zinc/32/71/39/562327139.db2.gz SIIRNGHPUXTFOP-KZNAEPCWSA-N 0 3 356.422 2.479 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC(C2CCOCC2)CC1 ZINC000528421184 562328366 /nfs/dbraw/zinc/32/83/66/562328366.db2.gz OYEDJEVFHJGRAL-UHFFFAOYSA-N 0 3 366.461 2.425 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000528435104 562329169 /nfs/dbraw/zinc/32/91/69/562329169.db2.gz ZADFPKRWTTWPEF-SJORKVTESA-N 0 3 367.453 2.173 20 30 FEEDHN N#CC1(C[C@H](O)CN2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502650 562332805 /nfs/dbraw/zinc/33/28/05/562332805.db2.gz JZSHEZPMCWWQLS-DLBZAZTESA-N 0 3 356.470 2.190 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CC2(CCOCC2)CC[C@H]1CO ZINC000528636629 562339392 /nfs/dbraw/zinc/33/93/92/562339392.db2.gz DFLLNENYTCASIX-KRWDZBQOSA-N 0 3 360.454 2.199 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000528758608 562346176 /nfs/dbraw/zinc/34/61/76/562346176.db2.gz GBFRAJKLPAIXAN-FLTUCWPJSA-N 0 3 353.426 2.084 20 30 FEEDHN N#CC(C(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21)C(=O)N1CCCC1 ZINC000528915727 562352675 /nfs/dbraw/zinc/35/26/75/562352675.db2.gz OZMRGBLAJKKMIC-MNOVXSKESA-N 0 3 354.332 2.111 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000528920260 562352916 /nfs/dbraw/zinc/35/29/16/562352916.db2.gz SHBMSDRNYYIWFW-CXQPVBBHSA-N 0 3 358.394 2.165 20 30 FEEDHN COCCCN1CCC(NC(=O)Nc2ccc(COC)c(C#N)c2)CC1 ZINC000529209924 562364833 /nfs/dbraw/zinc/36/48/33/562364833.db2.gz BNGHJOAYMKFWMU-UHFFFAOYSA-N 0 3 360.458 2.327 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000531283687 562440595 /nfs/dbraw/zinc/44/05/95/562440595.db2.gz KDVXVODOYICVAK-GJZGRUSLSA-N 0 3 374.510 2.335 20 30 FEEDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000534725047 562541151 /nfs/dbraw/zinc/54/11/51/562541151.db2.gz HGYQPAMKAUNJPT-GOSISDBHSA-N 0 3 353.422 2.306 20 30 FEEDHN N#Cc1ccsc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000534917938 562545209 /nfs/dbraw/zinc/54/52/09/562545209.db2.gz YGIHJEKFWPRLEU-IAGOWNOFSA-N 0 3 355.463 2.233 20 30 FEEDHN CCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC1CC1 ZINC000537249027 562588697 /nfs/dbraw/zinc/58/86/97/562588697.db2.gz OHNWPYILQHBJBB-IBGZPJMESA-N 0 3 358.461 2.266 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000602113377 567930424 /nfs/dbraw/zinc/93/04/24/567930424.db2.gz NOEMKWWNUXOCEY-RCCFBDPRSA-N 0 3 360.479 2.327 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N3CCC[C@@H](CC#N)C3)ccc2[nH]c1=O ZINC000602178160 567942332 /nfs/dbraw/zinc/94/23/32/567942332.db2.gz JUDXXDUJJAKPLA-AWEZNQCLSA-N 0 3 355.442 2.069 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000602552442 567990866 /nfs/dbraw/zinc/99/08/66/567990866.db2.gz WVUWICAXVXXEOO-ROUUACIJSA-N 0 3 371.481 2.355 20 30 FEEDHN C[C@@H]1CN(CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602858784 568003018 /nfs/dbraw/zinc/00/30/18/568003018.db2.gz VDXPJJUGBYWSDU-QKLQHJQFSA-N 0 3 354.498 2.488 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000602990931 568038857 /nfs/dbraw/zinc/03/88/57/568038857.db2.gz LZJRHBCLZFWSQG-GGZOMVNGSA-N 0 3 361.345 2.445 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)C[C@H](C)N1CC#N ZINC000603087992 568059332 /nfs/dbraw/zinc/05/93/32/568059332.db2.gz CFNDHGFIIFTBOA-LXTVHRRPSA-N 0 3 374.451 2.340 20 30 FEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000584666094 568129620 /nfs/dbraw/zinc/12/96/20/568129620.db2.gz JMMYBOQXIUDNGJ-OAHLLOKOSA-N 0 3 373.501 2.290 20 30 FEEDHN N#CCc1ccc(CS(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000563134746 568266771 /nfs/dbraw/zinc/26/67/71/568266771.db2.gz DNEILYKBLZUSQA-RBUKOAKNSA-N 0 3 355.463 2.009 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(CCCNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569421711 568401773 /nfs/dbraw/zinc/40/17/73/568401773.db2.gz XHNNLJKHJRLSNJ-CALCHBBNSA-N 0 3 363.527 2.290 20 30 FEEDHN COc1cc(C#N)ccc1OCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737034586 598983366 /nfs/dbraw/zinc/98/33/66/598983366.db2.gz KLQDDMVPKYCABH-UHFFFAOYSA-N 0 3 364.409 2.258 20 30 FEEDHN COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737034586 598983368 /nfs/dbraw/zinc/98/33/68/598983368.db2.gz KLQDDMVPKYCABH-UHFFFAOYSA-N 0 3 364.409 2.258 20 30 FEEDHN COc1cc(C#N)ccc1OCC[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737034586 598983369 /nfs/dbraw/zinc/98/33/69/598983369.db2.gz KLQDDMVPKYCABH-UHFFFAOYSA-N 0 3 364.409 2.258 20 30 FEEDHN COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737034586 598983370 /nfs/dbraw/zinc/98/33/70/598983370.db2.gz KLQDDMVPKYCABH-UHFFFAOYSA-N 0 3 364.409 2.258 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000807790764 674429574 /nfs/dbraw/zinc/42/95/74/674429574.db2.gz FMXQQIRLVGZMBX-INIZCTEOSA-N 0 3 354.372 2.200 20 30 FEEDHN N#CC(C(=O)C[C@@H]1CCCC(=O)N1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000808980121 674476856 /nfs/dbraw/zinc/47/68/56/674476856.db2.gz UJRGWSXVZCBNNF-GXSJLCMTSA-N 0 3 351.765 2.185 20 30 FEEDHN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)C(C#N)C(=O)NC(C)C ZINC000810533268 674549314 /nfs/dbraw/zinc/54/93/14/674549314.db2.gz KSKWCKMCCHFQDS-QMMMGPOBSA-N 0 3 350.728 2.097 20 30 FEEDHN COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826176721 608469203 /nfs/dbraw/zinc/46/92/03/608469203.db2.gz AMWWSIFUFOERND-ZDUSSCGKSA-N 0 3 364.409 2.477 20 30 FEEDHN COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826176721 608469204 /nfs/dbraw/zinc/46/92/04/608469204.db2.gz AMWWSIFUFOERND-ZDUSSCGKSA-N 0 3 364.409 2.477 20 30 FEEDHN COCC[C@H](Cc1ccco1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000563012039 674834754 /nfs/dbraw/zinc/83/47/54/674834754.db2.gz TTWKTBCJCBMKNM-MRXNPFEDSA-N 0 3 362.451 2.162 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000563720186 674932862 /nfs/dbraw/zinc/93/28/62/674932862.db2.gz ACVPSAQDYBGMCS-GUYCJALGSA-N 0 3 351.447 2.086 20 30 FEEDHN COC(=O)c1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)s1 ZINC000564565698 675038059 /nfs/dbraw/zinc/03/80/59/675038059.db2.gz VEJNBYTZTSPSMQ-CQSZACIVSA-N 0 3 360.435 2.130 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c(Cl)c1 ZINC000573656854 671148526 /nfs/dbraw/zinc/14/85/26/671148526.db2.gz LCTGJWMYMUCBRG-AWEZNQCLSA-N 0 3 360.845 2.041 20 30 FEEDHN COc1cc(Br)ccc1[C@@H](C)NC[C@H](O)CN(C)CCC#N ZINC000566124973 675183784 /nfs/dbraw/zinc/18/37/84/675183784.db2.gz MCSOLCRJZGKAGN-OCCSQVGLSA-N 0 3 370.291 2.315 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H](CO)C2CCCCC2)cc1 ZINC000579122400 671713950 /nfs/dbraw/zinc/71/39/50/671713950.db2.gz CQWYZRHSDMGRSR-KRWDZBQOSA-N 0 3 350.484 2.110 20 30 FEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CCC#N)CC(C)(C)C ZINC000579644693 671750170 /nfs/dbraw/zinc/75/01/70/671750170.db2.gz RVHXBIZJICDSJJ-LLVKDONJSA-N 0 3 372.409 2.462 20 30 FEEDHN CNC(=O)C(C#N)C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000133493994 672111653 /nfs/dbraw/zinc/11/16/53/672111653.db2.gz JJXVSFICYOVSIT-CQSZACIVSA-N 0 3 361.195 2.436 20 30 FEEDHN CC(=O)N[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1cccs1 ZINC000138894402 672145133 /nfs/dbraw/zinc/14/51/33/672145133.db2.gz FCKJDASHOSEQLI-QWHCGFSZSA-N 0 3 356.407 2.058 20 30 FEEDHN CC(=O)N[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1cccs1 ZINC000138894042 672145200 /nfs/dbraw/zinc/14/52/00/672145200.db2.gz FCKJDASHOSEQLI-OLZOCXBDSA-N 0 3 356.407 2.058 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)N1CCCC1 ZINC000584572312 672200588 /nfs/dbraw/zinc/20/05/88/672200588.db2.gz HXBBYQPHTCNFIQ-GFCCVEGCSA-N 0 3 362.499 2.456 20 30 FEEDHN COC(=O)c1ccc(CNC2CCN(CC#N)CC2)c(Br)c1 ZINC000585766856 672231438 /nfs/dbraw/zinc/23/14/38/672231438.db2.gz IPSUREOWXPRECK-UHFFFAOYSA-N 0 3 366.259 2.313 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000173934455 672355879 /nfs/dbraw/zinc/35/58/79/672355879.db2.gz LRYBOIFQQZSSDH-BPLDGKMQSA-N 0 3 350.365 2.320 20 30 FEEDHN Cc1onc(CC(=O)NCC2(N3CCSCC3)CCCCC2)c1C#N ZINC000611528488 676042540 /nfs/dbraw/zinc/04/25/40/676042540.db2.gz ZCHLEEBYBRUSKT-UHFFFAOYSA-N 0 3 362.499 2.265 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCCc1nc2ccccc2s1 ZINC000193416108 672723876 /nfs/dbraw/zinc/72/38/76/672723876.db2.gz HOUDEICODBEYAG-ZDUSSCGKSA-N 0 3 359.451 2.481 20 30 FEEDHN N#Cc1cc(Br)ccc1CC(=O)NCCN1CCCCC1 ZINC000593407085 672919371 /nfs/dbraw/zinc/91/93/71/672919371.db2.gz LIKQMTNXKHGWHV-UHFFFAOYSA-N 0 3 350.260 2.465 20 30 FEEDHN CN1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccsc2C#N)C1 ZINC000593614217 672958741 /nfs/dbraw/zinc/95/87/41/672958741.db2.gz VTNCWXHJFJVVNL-CABCVRRESA-N 0 3 361.492 2.243 20 30 FEEDHN CC(C)OC(=O)C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000594047808 673025269 /nfs/dbraw/zinc/02/52/69/673025269.db2.gz ZMBYLVLHCRKZRI-QGZVFWFLSA-N 0 3 366.483 2.288 20 30 FEEDHN Cc1nc(NC(=O)[C@H](N)CCCCC#N)ccc1I ZINC000594443620 673072561 /nfs/dbraw/zinc/07/25/61/673072561.db2.gz FXYBXGPDNLRXAQ-LLVKDONJSA-N 0 3 372.210 2.344 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000594445407 673072844 /nfs/dbraw/zinc/07/28/44/673072844.db2.gz KCCMDHYLGOXSFA-MRXNPFEDSA-N 0 3 364.877 2.204 20 30 FEEDHN C[C@@H]1CN(C(=O)NC2CCN(C3CCCCC3)CC2)C[C@H](C)S1(=O)=O ZINC000329769424 673082962 /nfs/dbraw/zinc/08/29/62/673082962.db2.gz HUHPZLQIQWTOFQ-GASCZTMLSA-N 0 3 371.547 2.205 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCCN1CCOC[C@H]1C ZINC000729679334 673243621 /nfs/dbraw/zinc/24/36/21/673243621.db2.gz VEHWBXUUKFYHJN-CQSZACIVSA-N 0 3 367.287 2.271 20 30 FEEDHN CCOCCOCC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000729888831 673251789 /nfs/dbraw/zinc/25/17/89/673251789.db2.gz IYLFZCXYCCOMQE-GFCCVEGCSA-N 0 3 368.817 2.358 20 30 FEEDHN CCOCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000729890201 673251983 /nfs/dbraw/zinc/25/19/83/673251983.db2.gz YZLMLTSMNBEFJI-DGCLKSJQSA-N 0 3 368.817 2.438 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@]2(C)C(=O)OCC)CC1 ZINC000595496041 673258099 /nfs/dbraw/zinc/25/80/99/673258099.db2.gz YENLPALDJSKJSC-APWZRJJASA-N 0 3 351.491 2.448 20 30 FEEDHN C[C@@H](c1ccccc1)[C@H](CO)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000613389985 676127103 /nfs/dbraw/zinc/12/71/03/676127103.db2.gz OMMWELGWFBFQPW-KXBFYZLASA-N 0 3 358.463 2.086 20 30 FEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSc3nnnn3C3CC3)nc21 ZINC000735789165 673502912 /nfs/dbraw/zinc/50/29/12/673502912.db2.gz KIGAAFYPAJXJHE-NSHDSACASA-N 0 3 353.411 2.161 20 30 FEEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000598724863 673603784 /nfs/dbraw/zinc/60/37/84/673603784.db2.gz RYWJBZQOOKPDMI-IUODEOHRSA-N 0 3 353.825 2.475 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000543672708 673660367 /nfs/dbraw/zinc/66/03/67/673660367.db2.gz FUZFQHSJHAKBLD-CYBMUJFWSA-N 0 3 353.463 2.189 20 30 FEEDHN COc1ccc(CNCCOc2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000742370491 673725797 /nfs/dbraw/zinc/72/57/97/673725797.db2.gz XJJLDNJNSFGVGE-UHFFFAOYSA-N 0 3 360.435 2.139 20 30 FEEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1CC(=O)Nc1sccc1C#N ZINC000602910577 673913577 /nfs/dbraw/zinc/91/35/77/673913577.db2.gz ANYQTOMZBMDPJI-OAHLLOKOSA-N 0 3 362.499 2.133 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cccc(I)c1C ZINC000818593057 675226789 /nfs/dbraw/zinc/22/67/89/675226789.db2.gz JNXYSAOZSLSHMZ-UHFFFAOYSA-N 0 3 370.234 2.285 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cc1cc(Br)ccc1OC ZINC000818609105 675228529 /nfs/dbraw/zinc/22/85/29/675228529.db2.gz KUCGVPJXSAYYDH-UHFFFAOYSA-N 0 3 353.260 2.072 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(O[C@@H]3CCOC3)CC2)CC1 ZINC000567008533 675259799 /nfs/dbraw/zinc/25/97/99/675259799.db2.gz LJLRMQUYARDAMF-GOSISDBHSA-N 0 3 351.491 2.006 20 30 FEEDHN C=CCn1cc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)nn1 ZINC000648262957 677313403 /nfs/dbraw/zinc/31/34/03/677313403.db2.gz PUPMBLMPGXBLNM-UHFFFAOYSA-N 0 3 357.483 2.308 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCc1cccc(Br)c1 ZINC000761040128 680708272 /nfs/dbraw/zinc/70/82/72/680708272.db2.gz VQPLLGJNGARNBP-AWEZNQCLSA-N 0 3 367.243 2.243 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662449113 678622419 /nfs/dbraw/zinc/62/24/19/678622419.db2.gz VKZHVLIAJWOJEO-HNNXBMFYSA-N 0 3 352.276 2.216 20 30 FEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001022422337 680213804 /nfs/dbraw/zinc/21/38/04/680213804.db2.gz IVLWBBFDALNBPE-LJISPDSOSA-N 0 3 357.292 2.195 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@@H]2C1 ZINC001022717558 680232090 /nfs/dbraw/zinc/23/20/90/680232090.db2.gz DJWFQCVQSGIRQN-VNQPRFMTSA-N 0 3 367.921 2.309 20 30 FEEDHN CCN(CC)S(=O)(=O)c1ccc(N=NC2CN(C(C)C)C[C@@H]2C)nc1 ZINC000754257306 680345966 /nfs/dbraw/zinc/34/59/66/680345966.db2.gz HTQOEHVGTGHYNZ-AWEZNQCLSA-N 0 3 367.519 2.240 20 30 FEEDHN CC(C)C(=O)NCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000767768918 680925692 /nfs/dbraw/zinc/92/56/92/680925692.db2.gz SIOJLLLANLRRHU-CYBMUJFWSA-N 0 3 358.467 2.177 20 30 FEEDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000843433171 681003874 /nfs/dbraw/zinc/00/38/74/681003874.db2.gz VKIWXKRNWXBQQR-BLLLJJGKSA-N 0 3 355.360 2.478 20 30 FEEDHN COc1ccc(C#N)cc1COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000772258019 681090635 /nfs/dbraw/zinc/09/06/35/681090635.db2.gz ZTKWGAXFQPUFQJ-YPMHNXCESA-N 0 3 356.300 2.067 20 30 FEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000846228511 681204988 /nfs/dbraw/zinc/20/49/88/681204988.db2.gz MQJIDFZHXJIJHR-JKSUJKDBSA-N 0 3 351.491 2.141 20 30 FEEDHN C=CCN1CC[C@H](N2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)C1=O ZINC000932709669 681293990 /nfs/dbraw/zinc/29/39/90/681293990.db2.gz XIGYMMBREBGZCV-OAGGEKHMSA-N 0 3 351.491 2.256 20 30 FEEDHN CN(CCC#N)C(=O)CCN[C@@](C)(CO)c1cccc(Br)c1 ZINC000934495099 681578670 /nfs/dbraw/zinc/57/86/70/681578670.db2.gz CECFMMQRWIWEMI-INIZCTEOSA-N 0 3 368.275 2.008 20 30 FEEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000778298627 681594161 /nfs/dbraw/zinc/59/41/61/681594161.db2.gz RCAKVWYJEIZYKB-PELKAZGASA-N 0 3 356.348 2.153 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](OC)[C@H]2CCOC2)cc1Cl ZINC000850760899 681957301 /nfs/dbraw/zinc/95/73/01/681957301.db2.gz FMHXICVDVIBBJX-KANYHAFZSA-N 0 3 366.801 2.047 20 30 FEEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1 ZINC000915053756 685511571 /nfs/dbraw/zinc/51/15/71/685511571.db2.gz YHUPRFZWMVFLLA-AWEZNQCLSA-N 0 3 370.544 2.085 20 30 FEEDHN Cc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000916963275 685528750 /nfs/dbraw/zinc/52/87/50/685528750.db2.gz QDVYRQSIBKNSCZ-LBPRGKRZSA-N 0 3 357.391 2.492 20 30 FEEDHN CN(C)[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1ccc(F)cc1 ZINC000784573238 682238461 /nfs/dbraw/zinc/23/84/61/682238461.db2.gz XBQKDBKAVCJUQM-MRXNPFEDSA-N 0 3 362.430 2.060 20 30 FEEDHN CC[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)CCO1 ZINC000786558705 682385555 /nfs/dbraw/zinc/38/55/55/682385555.db2.gz RAAWIMLCZFLIRB-GLQYFDAESA-N 0 3 350.365 2.495 20 30 FEEDHN C=CCN1CCC(NC(=O)NC/C=C\CNC(=O)OC(C)(C)C)CC1 ZINC000788022761 682497200 /nfs/dbraw/zinc/49/72/00/682497200.db2.gz DAGVUAZHYLKAFS-SREVYHEPSA-N 0 3 352.479 2.017 20 30 FEEDHN C[C@H]1c2nncn2CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000792378754 682807485 /nfs/dbraw/zinc/80/74/85/682807485.db2.gz CMLZXOMNMFHOLX-RYUDHWBXSA-N 0 3 352.423 2.141 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc(I)cc1 ZINC000793122854 682865827 /nfs/dbraw/zinc/86/58/27/682865827.db2.gz CXTIQQUNSNRXDQ-GFCCVEGCSA-N 0 3 370.190 2.067 20 30 FEEDHN C=CCN1CC[C@H](N(CCC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799119383 683423748 /nfs/dbraw/zinc/42/37/48/683423748.db2.gz CVHWFSXXOSAHSW-HOTGVXAUSA-N 0 3 351.491 2.495 20 30 FEEDHN C=CCN1CC[C@@H](N(CCC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799119388 683423804 /nfs/dbraw/zinc/42/38/04/683423804.db2.gz CVHWFSXXOSAHSW-HZPDHXFCSA-N 0 3 351.491 2.495 20 30 FEEDHN CC(C)(C)OC(=O)NC[C@H](NCC(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000799202660 683436373 /nfs/dbraw/zinc/43/63/73/683436373.db2.gz XXCBGVYUKQUDBO-ZDUSSCGKSA-N 0 3 352.479 2.078 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000861838098 683483303 /nfs/dbraw/zinc/48/33/03/683483303.db2.gz QGYPUDIIEVNSGM-GDBMZVCRSA-N 0 3 354.372 2.240 20 30 FEEDHN C=CCn1c(C)nn(CN2CCC(C)(N3CCOCC3)CC2)c1=S ZINC000863314403 683703599 /nfs/dbraw/zinc/70/35/99/683703599.db2.gz IUBNCSSESFGJER-UHFFFAOYSA-N 0 3 351.520 2.053 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000930495244 683742971 /nfs/dbraw/zinc/74/29/71/683742971.db2.gz ACYBKSLUWPSKRE-INIZCTEOSA-N 0 3 361.511 2.469 20 30 FEEDHN C#CC[C@@H](COC)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000863804858 683774820 /nfs/dbraw/zinc/77/48/20/683774820.db2.gz KJJVTIMSIXJXBU-DLBZAZTESA-N 0 3 350.409 2.298 20 30 FEEDHN CN1CCN(C2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)CC1 ZINC000866215214 684083711 /nfs/dbraw/zinc/08/37/11/684083711.db2.gz WIPSVMMTJFCKFV-UHFFFAOYSA-N 0 3 353.392 2.188 20 30 FEEDHN FC1(F)[C@@H]2CN(C[C@@H]3CNCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530819 684299739 /nfs/dbraw/zinc/29/97/39/684299739.db2.gz KERCIRBABOSFPM-DJLDLDEBSA-N 0 3 368.268 2.078 20 30 FEEDHN CN(C)C[C@H]1NC(=O)N(Cc2cccc(-c3ccc(C#N)s3)c2)C1=O ZINC000924689545 684480639 /nfs/dbraw/zinc/48/06/39/684480639.db2.gz YOCPSUZVNVFGCT-OAHLLOKOSA-N 0 3 354.435 2.269 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000870135664 684687010 /nfs/dbraw/zinc/68/70/10/684687010.db2.gz BJRIHXONLIDCRN-XFJVYGCCSA-N 0 3 350.802 2.429 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1cc2n(n1)CCN(C)C2 ZINC000871928653 684884307 /nfs/dbraw/zinc/88/43/07/684884307.db2.gz IHWCAHKDSSHELM-CQSZACIVSA-N 0 3 359.499 2.405 20 30 FEEDHN C=CCNC(=O)CN[C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872058298 684917458 /nfs/dbraw/zinc/91/74/58/684917458.db2.gz QTJJKTLYADPLQQ-CJNGLKHVSA-N 0 3 353.260 2.419 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000876618893 686229344 /nfs/dbraw/zinc/22/93/44/686229344.db2.gz IMVIZFNESGEKAI-AWEZNQCLSA-N 0 3 366.845 2.050 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000876636560 686234143 /nfs/dbraw/zinc/23/41/43/686234143.db2.gz YXQMKDAJEMPNIQ-QGZVFWFLSA-N 0 3 363.889 2.150 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1 ZINC000876638002 686234641 /nfs/dbraw/zinc/23/46/41/686234641.db2.gz ZAEKQBUFGLDUOH-KGLIPLIRSA-N 0 3 369.918 2.388 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000876713616 686251407 /nfs/dbraw/zinc/25/14/07/686251407.db2.gz LPEDCHMHLKHZAO-AWEZNQCLSA-N 0 3 351.882 2.027 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000876727680 686254386 /nfs/dbraw/zinc/25/43/86/686254386.db2.gz QSMDEVZGWVFAPP-KGLIPLIRSA-N 0 3 350.850 2.037 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C ZINC000876899422 686290899 /nfs/dbraw/zinc/29/08/99/686290899.db2.gz XJXKBBNDLMULGW-UKRRQHHQSA-N 0 3 351.834 2.013 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1cc(Br)cs1)C2 ZINC000884089807 687786704 /nfs/dbraw/zinc/78/67/04/687786704.db2.gz ANCFUZWJHTZHST-OPASDULOSA-N 0 3 354.273 2.266 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1c(F)cccc1OC(F)F)C2 ZINC000884168469 687806894 /nfs/dbraw/zinc/80/68/94/687806894.db2.gz GJNLVWJGBXEFDN-GCULGPDHSA-N 0 3 353.344 2.183 20 30 FEEDHN N#Cc1ccc(CSCC(=O)NC[C@@H]2CCN2C2CCOCC2)cc1 ZINC000885863700 688172544 /nfs/dbraw/zinc/17/25/44/688172544.db2.gz UKGFUZGHMMMHGI-SFHVURJKSA-N 0 3 359.495 2.161 20 30 FEEDHN C#CCN(C(=O)[C@H](O)c1cccc(Br)c1)C1CCN(C)CC1 ZINC000886572646 688278163 /nfs/dbraw/zinc/27/81/63/688278163.db2.gz VCLXCJZIKODTSJ-MRXNPFEDSA-N 0 3 365.271 2.039 20 30 FEEDHN COC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCOC1 ZINC000886910122 688339339 /nfs/dbraw/zinc/33/93/39/688339339.db2.gz LRJAKDUCEUENFQ-BBRMVZONSA-N 0 3 351.834 2.181 20 30 FEEDHN C#CCC1(NCC(=O)Nc2nnc(-c3sccc3C)o2)CCOCC1 ZINC000887123267 688369818 /nfs/dbraw/zinc/36/98/18/688369818.db2.gz HNQJAYUFYAHETK-UHFFFAOYSA-N 0 3 360.439 2.207 20 30 FEEDHN C=CCC1(O)CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000887773192 688490488 /nfs/dbraw/zinc/49/04/88/688490488.db2.gz NGQIKPGWFSDFRS-UHFFFAOYSA-N 0 3 367.559 2.461 20 30 FEEDHN N#CC(C(=O)C[C@H]1CCNC1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000892499166 689204446 /nfs/dbraw/zinc/20/44/46/689204446.db2.gz SOGIRRUMDZMOEJ-PRHODGIISA-N 0 3 354.193 2.167 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1nc(C#N)cs1 ZINC000894231960 689491237 /nfs/dbraw/zinc/49/12/37/689491237.db2.gz AOXKLFWLWMGWJO-CJNGLKHVSA-N 0 3 355.467 2.334 20 30 FEEDHN CSc1ccc([C@@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)N(C)C)cc1 ZINC000895058195 689650223 /nfs/dbraw/zinc/65/02/23/689650223.db2.gz JNNZIEFCUQXCKA-AEFFLSMTSA-N 0 3 362.499 2.335 20 30 FEEDHN N#Cc1cc(Br)ccc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897221576 689990368 /nfs/dbraw/zinc/99/03/68/689990368.db2.gz NISASRCRIZRKHQ-JKSUJKDBSA-N 0 3 350.260 2.356 20 30 FEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)NCc2nc(C#N)cs2)cc1 ZINC000897275778 689999154 /nfs/dbraw/zinc/99/91/54/689999154.db2.gz SHUMDJDGDWKRBY-OAHLLOKOSA-N 0 3 359.455 2.125 20 30 FEEDHN N#Cc1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCC1(F)F ZINC000903518369 690908279 /nfs/dbraw/zinc/90/82/79/690908279.db2.gz ZZOTVKHNJISYBN-SNVBAGLBSA-N 0 3 371.434 2.296 20 30 FEEDHN N#Cc1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c1 ZINC001164898172 721523560 /nfs/dbraw/zinc/52/35/60/721523560.db2.gz IDBYGMBIOWKUBR-IEBWSBKVSA-N 0 3 363.396 2.306 20 30 FEEDHN Cc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1C#N ZINC001164912377 721548243 /nfs/dbraw/zinc/54/82/43/721548243.db2.gz ZJXHWTNLUGLBPD-DOTOQJQBSA-N 0 3 353.401 2.138 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)COc2ccsc2)cc1 ZINC000800386319 674047836 /nfs/dbraw/zinc/04/78/36/674047836.db2.gz JHPLIABPVURODM-INIZCTEOSA-N 0 3 358.419 2.203 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812539 540229183 /nfs/dbraw/zinc/22/91/83/540229183.db2.gz UIYDVZUVROHJHS-OLZOCXBDSA-N 0 3 358.442 2.086 20 30 FEEDHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000550470475 674097977 /nfs/dbraw/zinc/09/79/77/674097977.db2.gz JKEKWIFLEYLDHF-LBPRGKRZSA-N 0 3 362.499 2.314 20 30 FEEDHN CCN(CCNC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000066622921 541349050 /nfs/dbraw/zinc/34/90/50/541349050.db2.gz SICZZNBAKRASCY-UHFFFAOYSA-N 0 3 356.470 2.314 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)NC2CCN(C3CC3)CC2)c1 ZINC000067494692 541471541 /nfs/dbraw/zinc/47/15/41/541471541.db2.gz MCHRXDTWYJNELC-UHFFFAOYSA-N 0 3 357.454 2.323 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCC[C@@H]1CN1CCOCC1 ZINC000075969175 542221817 /nfs/dbraw/zinc/22/18/17/542221817.db2.gz NPQCOVYGDQVUSR-NHCUHLMSSA-N 0 3 374.525 2.342 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3oc(CC)nc3c2)CC1 ZINC000076526139 542289227 /nfs/dbraw/zinc/28/92/27/542289227.db2.gz QSDWOMOZPKSDPI-UHFFFAOYSA-N 0 3 356.426 2.095 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cn(C)nc2-c2ccccc2OC)CC1 ZINC000076994571 542340477 /nfs/dbraw/zinc/34/04/77/542340477.db2.gz WXPADKPPUADLPT-UHFFFAOYSA-N 0 3 354.454 2.476 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000077284385 542361976 /nfs/dbraw/zinc/36/19/76/542361976.db2.gz VEZLPMRVRBZMCF-MRXNPFEDSA-N 0 3 359.470 2.131 20 30 FEEDHN COCCN(C)CC[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccccc1 ZINC000081155234 542636818 /nfs/dbraw/zinc/63/68/18/542636818.db2.gz BJZCMZSQRLGSBP-GOSISDBHSA-N 0 3 354.454 2.336 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC1 ZINC000083655152 542699482 /nfs/dbraw/zinc/69/94/82/542699482.db2.gz OZLQGTRCFGQBFF-SFHVURJKSA-N 0 3 351.491 2.006 20 30 FEEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000090171896 542783901 /nfs/dbraw/zinc/78/39/01/542783901.db2.gz JWPAVFHRJPZSAF-QAPCUYQASA-N 0 3 352.438 2.197 20 30 FEEDHN CCS[C@@H]1CC[C@@H](N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618918 542875636 /nfs/dbraw/zinc/87/56/36/542875636.db2.gz JCNMLZZZNZRZQG-KURKYZTESA-N 0 3 366.575 2.285 20 30 FEEDHN COc1cccc([C@H](C)N2CCN(CCC(=O)N(C)CCC#N)CC2)c1 ZINC000092796131 542887007 /nfs/dbraw/zinc/88/70/07/542887007.db2.gz RISGTPPQNHRDCK-KRWDZBQOSA-N 0 3 358.486 2.136 20 30 FEEDHN N#CCOc1ccc(CC(=O)Nc2cnn(CCN3CCCCC3)c2)cc1 ZINC000093077544 542907142 /nfs/dbraw/zinc/90/71/42/542907142.db2.gz VDPXWQJZIIQTHV-UHFFFAOYSA-N 0 3 367.453 2.453 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000097166472 543006474 /nfs/dbraw/zinc/00/64/74/543006474.db2.gz RRJSWGPZHVQIFV-SNVBAGLBSA-N 0 3 356.494 2.477 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)NC3CCN(C4CC4)CC3)CC2)c(F)c1 ZINC000101606019 543036409 /nfs/dbraw/zinc/03/64/09/543036409.db2.gz RQNVTRUXANUOAY-UHFFFAOYSA-N 0 3 371.460 2.156 20 30 FEEDHN COCCN(C)CCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000105147089 543161474 /nfs/dbraw/zinc/16/14/74/543161474.db2.gz GNZNJPFJUYRAED-UHFFFAOYSA-N 0 3 374.485 2.079 20 30 FEEDHN C[C@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)N(C)C1CC1 ZINC000105264891 543167633 /nfs/dbraw/zinc/16/76/33/543167633.db2.gz WEJDWVUDUOVMHF-CQSZACIVSA-N 0 3 359.449 2.012 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)CC1 ZINC000106036815 543186106 /nfs/dbraw/zinc/18/61/06/543186106.db2.gz IUVGIXXHCLAMJF-GOSISDBHSA-N 0 3 358.486 2.251 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000106349487 543224796 /nfs/dbraw/zinc/22/47/96/543224796.db2.gz FBTFGPNPSOAJNV-UHFFFAOYSA-N 0 3 365.861 2.444 20 30 FEEDHN CN(C)[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000111248573 543389038 /nfs/dbraw/zinc/38/90/38/543389038.db2.gz QAHJTSAITFGOAQ-QGZVFWFLSA-N 0 3 367.415 2.199 20 30 FEEDHN C=CC1CCN(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 ZINC000111258966 543389736 /nfs/dbraw/zinc/38/97/36/543389736.db2.gz NMWRWBPOPNYHNC-UHFFFAOYSA-N 0 3 371.529 2.455 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000112549181 543451192 /nfs/dbraw/zinc/45/11/92/543451192.db2.gz QHZLXOHMVGCEMQ-DZGCQCFKSA-N 0 3 359.499 2.156 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@H](CC(C)C)N(C)C)cc2C1=O ZINC000114378180 543512077 /nfs/dbraw/zinc/51/20/77/543512077.db2.gz TWULNFFKTKWWMN-HNNXBMFYSA-N 0 3 357.454 2.175 20 30 FEEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000114480998 543519946 /nfs/dbraw/zinc/51/99/46/543519946.db2.gz OZTCNQOBYNUHNM-NRFANRHFSA-N 0 3 354.498 2.391 20 30 FEEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)C1CC1 ZINC000118101589 543645691 /nfs/dbraw/zinc/64/56/91/543645691.db2.gz YWCRZSBWPHSSFF-OAHLLOKOSA-N 0 3 360.483 2.087 20 30 FEEDHN C#CCSCCNC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000121469521 543695042 /nfs/dbraw/zinc/69/50/42/543695042.db2.gz LAAOVOWSXBHCEX-SFHVURJKSA-N 0 3 360.527 2.444 20 30 FEEDHN CCN(CCC#N)C(=O)CNc1ccccc1CN1CCC(CO)CC1 ZINC000121735137 543698555 /nfs/dbraw/zinc/69/85/55/543698555.db2.gz QRVNGPVLYAKIKR-UHFFFAOYSA-N 0 3 358.486 2.065 20 30 FEEDHN N#Cc1ccc(CN2CCCN(C(=O)[C@@H](C3CC3)N3CCCC3)CC2)cc1 ZINC000123055312 543740003 /nfs/dbraw/zinc/74/00/03/543740003.db2.gz ZEXQOSXGNKGGOM-OAQYLSRUSA-N 0 3 366.509 2.467 20 30 FEEDHN CN(C(=O)CN1CCC[C@@H](Cc2nccn2C)C1)C1(C#N)CCCCC1 ZINC000123577993 543770488 /nfs/dbraw/zinc/77/04/88/543770488.db2.gz UQWZAAIWCFBINM-KRWDZBQOSA-N 0 3 357.502 2.359 20 30 FEEDHN C#CCN1CCC(C(=O)NCCCc2ccc(OC)c(OCC)c2)CC1 ZINC000127627708 544004393 /nfs/dbraw/zinc/00/43/93/544004393.db2.gz LTNWHIDOIPTAHH-UHFFFAOYSA-N 0 3 358.482 2.488 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CN1C1CC1 ZINC000130509480 544154018 /nfs/dbraw/zinc/15/40/18/544154018.db2.gz DFBIPXYTBVWTFG-ILZDJORESA-N 0 3 367.497 2.031 20 30 FEEDHN Cc1ccccc1CN1CCCN(C(=O)CN(CCC#N)CCC#N)CC1 ZINC000132835825 544245538 /nfs/dbraw/zinc/24/55/38/544245538.db2.gz LJKHYWMDCPFVFM-UHFFFAOYSA-N 0 3 367.497 2.159 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000133154478 544258012 /nfs/dbraw/zinc/25/80/12/544258012.db2.gz VQTZYKUKMUBYEY-OALUTQOASA-N 0 3 361.436 2.171 20 30 FEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000133916662 544287779 /nfs/dbraw/zinc/28/77/79/544287779.db2.gz PGWBGJIPXVSUFI-HNNXBMFYSA-N 0 3 374.510 2.431 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](Cc3nccn3C)C2)CC1 ZINC000139058382 544399378 /nfs/dbraw/zinc/39/93/78/544399378.db2.gz JFOLMXKSHWQRCL-QGZVFWFLSA-N 0 3 359.518 2.425 20 30 FEEDHN Cc1oc(NC(=O)[C@@H](C)N2CCN(c3ccncc3)CC2)c(C#N)c1C ZINC000151291785 544525592 /nfs/dbraw/zinc/52/55/92/544525592.db2.gz QUGPRCYNFWUCFW-CQSZACIVSA-N 0 3 353.426 2.312 20 30 FEEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152141550 544617766 /nfs/dbraw/zinc/61/77/66/544617766.db2.gz LANTURYNWFUUKQ-ZIAGYGMSSA-N 0 3 358.529 2.459 20 30 FEEDHN COCCCN(C)CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000152485032 544659667 /nfs/dbraw/zinc/65/96/67/544659667.db2.gz YKCSAGOXUJKKBP-UHFFFAOYSA-N 0 3 364.515 2.055 20 30 FEEDHN CCNC(=O)N1CC[C@@H](NCc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000152686739 544683684 /nfs/dbraw/zinc/68/36/84/544683684.db2.gz UWWJCEJPKGHIRO-MRXNPFEDSA-N 0 3 360.458 2.271 20 30 FEEDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000153081585 544730460 /nfs/dbraw/zinc/73/04/60/544730460.db2.gz OXDQFJXMCWLIED-NRFANRHFSA-N 0 3 367.449 2.180 20 30 FEEDHN CCO[C@@H]1C[C@H](O)C12CCN(CCC(=O)Nc1sccc1C#N)CC2 ZINC000152761620 544692711 /nfs/dbraw/zinc/69/27/11/544692711.db2.gz ZGMWJYFADQULJD-LSDHHAIUSA-N 0 3 363.483 2.200 20 30 FEEDHN CCN(C(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N)C1CCCCC1 ZINC000153342266 544763686 /nfs/dbraw/zinc/76/36/86/544763686.db2.gz MTPVHEVXJBPIPS-AWEZNQCLSA-N 0 3 360.506 2.298 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000154415030 544903449 /nfs/dbraw/zinc/90/34/49/544903449.db2.gz ONXJUIZDXXKRBW-UHFFFAOYSA-N 0 3 357.454 2.423 20 30 FEEDHN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000184205883 327855945 /nfs/dbraw/zinc/85/59/45/327855945.db2.gz LGYWYEBQGQKFQP-CQSZACIVSA-N 0 3 353.875 2.461 20 30 FEEDHN N#Cc1c(F)cccc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000187584816 328034574 /nfs/dbraw/zinc/03/45/74/328034574.db2.gz AINRDODDPXVMPX-MRXNPFEDSA-N 0 3 353.397 2.194 20 30 FEEDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1OC)N(C)C ZINC000188209229 328073399 /nfs/dbraw/zinc/07/33/99/328073399.db2.gz HXKFYPFGSZTIQS-OAHLLOKOSA-N 0 3 353.488 2.212 20 30 FEEDHN C[C@H](NC(=O)CC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000188730991 328107287 /nfs/dbraw/zinc/10/72/87/328107287.db2.gz NZWWQDOONVQHPW-INIZCTEOSA-N 0 3 372.513 2.389 20 30 FEEDHN N#Cc1cc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)ccn1 ZINC000192778286 328339097 /nfs/dbraw/zinc/33/90/97/328339097.db2.gz KEKKUDDMYWOYFX-UHFFFAOYSA-N 0 3 363.465 2.285 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000192982294 328350472 /nfs/dbraw/zinc/35/04/72/328350472.db2.gz OLDHWGDUOBKWJU-SFHVURJKSA-N 0 3 355.463 2.359 20 30 FEEDHN CCN1CCC[C@@H]1CN(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193423629 328374616 /nfs/dbraw/zinc/37/46/16/328374616.db2.gz TXMUTBDQQIJGHO-MRXNPFEDSA-N 0 3 359.474 2.014 20 30 FEEDHN CCN1CCN(Cc2ccc(NC(=O)c3cc(C#N)cn3C)cc2)CC1 ZINC000081665257 325192234 /nfs/dbraw/zinc/19/22/34/325192234.db2.gz FIIRCXIVTPRTMA-UHFFFAOYSA-N 0 3 351.454 2.287 20 30 FEEDHN Cn1cc(C#N)cc1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000081658998 325192421 /nfs/dbraw/zinc/19/24/21/325192421.db2.gz AYAYJYIZNKWJKX-HXUWFJFHSA-N 0 3 365.481 2.005 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)N1CCC(C)CC1 ZINC000088771634 325300585 /nfs/dbraw/zinc/30/05/85/325300585.db2.gz PSMMDYGFHDZNAU-ZDUSSCGKSA-N 0 3 362.861 2.387 20 30 FEEDHN CC[C@H](C(=O)Nc1ccc(OC)cc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089943648 325343575 /nfs/dbraw/zinc/34/35/75/325343575.db2.gz IMVHFZRWODXVFE-QGZVFWFLSA-N 0 3 370.457 2.154 20 30 FEEDHN CNS(=O)(=O)c1cccc([C@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000090107087 325354149 /nfs/dbraw/zinc/35/41/49/325354149.db2.gz HKXKCZDLTNWYIM-AWEZNQCLSA-N 0 3 359.451 2.196 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@H](NC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000109179698 325661167 /nfs/dbraw/zinc/66/11/67/325661167.db2.gz CBKGSHGHZCAXTR-OALUTQOASA-N 0 3 367.497 2.407 20 30 FEEDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000119399505 326158002 /nfs/dbraw/zinc/15/80/02/326158002.db2.gz XEBCNYZYQDTJDB-UHFFFAOYSA-N 0 3 368.459 2.209 20 30 FEEDHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000154763775 326768309 /nfs/dbraw/zinc/76/83/09/326768309.db2.gz DYFDNFWITSKJPC-UHFFFAOYSA-N 0 3 366.421 2.309 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)cc1Cl ZINC000170684473 327093806 /nfs/dbraw/zinc/09/38/06/327093806.db2.gz ONVMYXPEGLWWMM-HNNXBMFYSA-N 0 3 360.845 2.237 20 30 FEEDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000171027461 327113290 /nfs/dbraw/zinc/11/32/90/327113290.db2.gz ZFAGDXLLTRPMJK-UHFFFAOYSA-N 0 3 367.409 2.374 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000171224974 327125847 /nfs/dbraw/zinc/12/58/47/327125847.db2.gz RKXFIAWYPWPJNX-CALCHBBNSA-N 0 3 355.482 2.449 20 30 FEEDHN N#Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)nc1 ZINC000171595316 327147480 /nfs/dbraw/zinc/14/74/80/327147480.db2.gz NIKZBEUUQYJCJS-UHFFFAOYSA-N 0 3 363.465 2.285 20 30 FEEDHN C[C@@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C[C@H](C)O1 ZINC000264435898 329022933 /nfs/dbraw/zinc/02/29/33/329022933.db2.gz DOECRNYRYGLWSM-OKILXGFUSA-N 0 3 359.430 2.187 20 30 FEEDHN N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1CN1CCC(O)CC1 ZINC000266215469 329201383 /nfs/dbraw/zinc/20/13/83/329201383.db2.gz GXLDOQWIGHLEET-UHFFFAOYSA-N 0 3 367.409 2.430 20 30 FEEDHN COCCN1CC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000266425215 329221625 /nfs/dbraw/zinc/22/16/25/329221625.db2.gz VZOCUERGTODKBL-CYBMUJFWSA-N 0 3 356.348 2.419 20 30 FEEDHN N#Cc1cccc(C2(NC[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000273182435 329843710 /nfs/dbraw/zinc/84/37/10/329843710.db2.gz QHUHPGVKWLVVOB-INIZCTEOSA-N 0 3 353.378 2.485 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000367265175 330238173 /nfs/dbraw/zinc/23/81/73/330238173.db2.gz SYKRWFNQEGCZQN-DOMZBBRYSA-N 0 3 360.845 2.235 20 30 FEEDHN CN(C)CCN1CCC(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000157447962 545742999 /nfs/dbraw/zinc/74/29/99/545742999.db2.gz IBMAYQQRLMKJGB-IBGZPJMESA-N 0 3 357.502 2.357 20 30 FEEDHN N#Cc1cccc(/C=C/C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000159275502 545938992 /nfs/dbraw/zinc/93/89/92/545938992.db2.gz BJGKSSVZTYCFEL-SHBDEGQCSA-N 0 3 361.445 2.107 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccc(CN3CCCC3=O)c2)CC1 ZINC000171710561 546219017 /nfs/dbraw/zinc/21/90/17/546219017.db2.gz LVWYHXYDVHWWMU-UHFFFAOYSA-N 0 3 370.497 2.259 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC000171719883 546220806 /nfs/dbraw/zinc/22/08/06/546220806.db2.gz NSVYUXKPTGOGKF-SFHVURJKSA-N 0 3 357.454 2.184 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)CC1 ZINC000171723443 546222018 /nfs/dbraw/zinc/22/20/18/546222018.db2.gz PKMWEEJUEIISGP-FQEVSTJZSA-N 0 3 357.498 2.137 20 30 FEEDHN C=CCN1CCC(NC(=O)/C=C/c2cc(OC)c(OC)cc2OC)CC1 ZINC000171726667 546222191 /nfs/dbraw/zinc/22/21/91/546222191.db2.gz ALMYXUCDUONDHL-VOTSOKGWSA-N 0 3 360.454 2.492 20 30 FEEDHN C=CCN1CCC(NC(=O)NC2CCN(c3cccc(C)n3)CC2)CC1 ZINC000172135002 546238369 /nfs/dbraw/zinc/23/83/69/546238369.db2.gz PFFDYIKMCOECJM-UHFFFAOYSA-N 0 3 357.502 2.308 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)N(C)C)c2)CC1 ZINC000173196204 546275852 /nfs/dbraw/zinc/27/58/52/546275852.db2.gz QPMJNCKOAHTIHZ-UHFFFAOYSA-N 0 3 359.474 2.230 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)CC1 ZINC000173579519 546283519 /nfs/dbraw/zinc/28/35/19/546283519.db2.gz ZBKIORYUVANFBS-IBGZPJMESA-N 0 3 370.497 2.233 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1 ZINC000173578939 546283609 /nfs/dbraw/zinc/28/36/09/546283609.db2.gz VEBSCCXYLXHKDL-UHFFFAOYSA-N 0 3 369.421 2.493 20 30 FEEDHN CN(C(=O)c1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1)[C@@H]1CCCN(C)C1 ZINC000175834142 546358563 /nfs/dbraw/zinc/35/85/63/546358563.db2.gz PLXQXGAMOUEABA-QGZVFWFLSA-N 0 3 365.437 2.305 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177064446 546536700 /nfs/dbraw/zinc/53/67/00/546536700.db2.gz BBIYEVSACCACPG-GDBMZVCRSA-N 0 3 357.454 2.467 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CN1C1CC1 ZINC000177146113 546554229 /nfs/dbraw/zinc/55/42/29/546554229.db2.gz UAXZLZKGOCONPB-IRXDYDNUSA-N 0 3 368.481 2.455 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CN1C1CC1 ZINC000177146099 546554714 /nfs/dbraw/zinc/55/47/14/546554714.db2.gz UAXZLZKGOCONPB-SJORKVTESA-N 0 3 368.481 2.455 20 30 FEEDHN CC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000177755835 546680957 /nfs/dbraw/zinc/68/09/57/546680957.db2.gz ZGRCFZKJIIUKJL-LJQANCHMSA-N 0 3 358.461 2.266 20 30 FEEDHN CC(C)(C)C(=O)N1CCC(CN2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000481173814 561227273 /nfs/dbraw/zinc/22/72/73/561227273.db2.gz IISNVIAVXGXNSU-UHFFFAOYSA-N 0 3 369.513 2.360 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000178251711 546765022 /nfs/dbraw/zinc/76/50/22/546765022.db2.gz WETUOEVKPSTCBB-IYBDPMFKSA-N 0 3 356.470 2.305 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000178919190 546873429 /nfs/dbraw/zinc/87/34/29/546873429.db2.gz AHMXIKBTYASJLV-VQTJNVASSA-N 0 3 373.497 2.171 20 30 FEEDHN C=C[C@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000179302503 546927564 /nfs/dbraw/zinc/92/75/64/546927564.db2.gz ACFKMIJDHZVMLA-MJGOQNOKSA-N 0 3 355.482 2.111 20 30 FEEDHN CCC[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCN1CCOC ZINC000179668838 546994803 /nfs/dbraw/zinc/99/48/03/546994803.db2.gz NIQJDGJGOLCDGM-IBGZPJMESA-N 0 3 358.486 2.320 20 30 FEEDHN CC[C@@H]1Oc2cc([C@H](C)NCCC(=O)N(C)CCC#N)ccc2NC1=O ZINC000180029344 547040596 /nfs/dbraw/zinc/04/05/96/547040596.db2.gz DHHXINYMWPZXDY-BBRMVZONSA-N 0 3 358.442 2.209 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180396308 547100071 /nfs/dbraw/zinc/10/00/71/547100071.db2.gz PAUMEUAHJNBFSI-KRWDZBQOSA-N 0 3 354.498 2.245 20 30 FEEDHN Cc1nc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)ccc1C#N ZINC000180872647 547199326 /nfs/dbraw/zinc/19/93/26/547199326.db2.gz YQZKHBPSGZECPZ-IBGZPJMESA-N 0 3 364.449 2.148 20 30 FEEDHN COc1ccc([C@H](CCO)NC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000182405625 547487614 /nfs/dbraw/zinc/48/76/14/547487614.db2.gz YTHVYVWNBFIWIU-XLIONFOSSA-N 0 3 356.422 2.020 20 30 FEEDHN CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC1CCC1 ZINC000182777896 547551319 /nfs/dbraw/zinc/55/13/19/547551319.db2.gz CWFCFCGPEQVZRH-IBGZPJMESA-N 0 3 358.461 2.266 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000183041305 547591222 /nfs/dbraw/zinc/59/12/22/547591222.db2.gz VCHRLJQTTVUHJV-GOSISDBHSA-N 0 3 372.425 2.245 20 30 FEEDHN N#Cc1ccccc1-c1ccc(CN(CCO)CCN2CCOCC2)cc1 ZINC000484424042 561297597 /nfs/dbraw/zinc/29/75/97/561297597.db2.gz QNVOCMVPQMZRNW-UHFFFAOYSA-N 0 3 365.477 2.352 20 30 FEEDHN CN(C)CCN1C[C@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)CC1=O ZINC000183906754 547737930 /nfs/dbraw/zinc/73/79/30/547737930.db2.gz MLEJJNYZUKAUNV-LSWWBPAMSA-N 0 3 362.518 2.011 20 30 FEEDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000185281723 547964888 /nfs/dbraw/zinc/96/48/88/547964888.db2.gz WNVNJCFBSOWCFC-HIFRSBDPSA-N 0 3 353.875 2.316 20 30 FEEDHN C=CCN1CCC(NC(=O)NC2CCC(O)(c3cccnc3)CC2)CC1 ZINC000185734453 548027245 /nfs/dbraw/zinc/02/72/45/548027245.db2.gz PGZPSDWRVZDMJF-UHFFFAOYSA-N 0 3 358.486 2.161 20 30 FEEDHN C[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000485699980 561326278 /nfs/dbraw/zinc/32/62/78/561326278.db2.gz XYQZTDLKYKOHQU-YLJYHZDGSA-N 0 3 366.509 2.074 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(Cn2cncn2)CC1 ZINC000186255342 548107741 /nfs/dbraw/zinc/10/77/41/548107741.db2.gz BXSGHUFZZPEDRE-LJQANCHMSA-N 0 3 356.470 2.159 20 30 FEEDHN C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000186494876 548143756 /nfs/dbraw/zinc/14/37/56/548143756.db2.gz ROLYTDYUTXFGLK-YWZLYKJASA-N 0 3 364.449 2.096 20 30 FEEDHN CC(C)(C)C(=O)N1CCC(CN2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000186729456 548182087 /nfs/dbraw/zinc/18/20/87/548182087.db2.gz NAHWWBZVJKSPMQ-UHFFFAOYSA-N 0 3 369.513 2.360 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000191698621 548348792 /nfs/dbraw/zinc/34/87/92/548348792.db2.gz YBUJRILJRHPVNL-UHFFFAOYSA-N 0 3 370.497 2.190 20 30 FEEDHN CC(=O)N1CC[C@H](CN(C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246058221 549043547 /nfs/dbraw/zinc/04/35/47/549043547.db2.gz BFGJKFOJBHHBGL-CAZWYBIWSA-N 0 3 362.518 2.106 20 30 FEEDHN CCOC(=O)CC[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246894656 549237921 /nfs/dbraw/zinc/23/79/21/549237921.db2.gz XKDRBOOFQADAJP-ZWKOTPCHSA-N 0 3 360.454 2.353 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)CCC[C@H]3C)CC2)o1 ZINC000246999551 549261636 /nfs/dbraw/zinc/26/16/36/549261636.db2.gz TVBUDMAUFQQEBP-HUUCEWRRSA-N 0 3 359.474 2.014 20 30 FEEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000247356882 549323656 /nfs/dbraw/zinc/32/36/56/549323656.db2.gz OIABUYZZYPYFAX-FUHWJXTLSA-N 0 3 355.486 2.119 20 30 FEEDHN C[C@H](O)CN1CCN(Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000248637936 549474181 /nfs/dbraw/zinc/47/41/81/549474181.db2.gz APWLOKMAAMIHFI-OLZOCXBDSA-N 0 3 352.276 2.208 20 30 FEEDHN CCOc1c(Br)cc(C=NNC(=N)N)cc1Br ZINC000252446992 549665538 /nfs/dbraw/zinc/66/55/38/549665538.db2.gz DSDJPIILKAAYHR-UHFFFAOYSA-N 0 3 364.041 2.427 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000264392698 549995215 /nfs/dbraw/zinc/99/52/15/549995215.db2.gz NZKQTNUNFQNAPZ-UHFFFAOYSA-N 0 3 357.458 2.378 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)CC1 ZINC000264370146 549995448 /nfs/dbraw/zinc/99/54/48/549995448.db2.gz JJFNUNXPIOJKFP-SJLPKXTDSA-N 0 3 355.482 2.363 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C(=O)OC)CC1)C(C)C ZINC000265188335 550007546 /nfs/dbraw/zinc/00/75/46/550007546.db2.gz ZJJHCIOOODUOIB-KRWDZBQOSA-N 0 3 351.491 2.280 20 30 FEEDHN CN(C)Cc1ccc(C(N)=NOCC(=O)N(C)Cc2cccs2)cc1 ZINC000266991233 550026629 /nfs/dbraw/zinc/02/66/29/550026629.db2.gz BCZNYUQXSYSXLZ-UHFFFAOYSA-N 0 3 360.483 2.105 20 30 FEEDHN CN(C)Cc1ccc(C(N)=NOCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000267038792 550027301 /nfs/dbraw/zinc/02/73/01/550027301.db2.gz YKMGANFZHBMTII-UHFFFAOYSA-N 0 3 354.454 2.287 20 30 FEEDHN C=CCOc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1OC ZINC000267145621 550028215 /nfs/dbraw/zinc/02/82/15/550028215.db2.gz VLEYZJJXAUKXHB-SFHVURJKSA-N 0 3 350.484 2.427 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)CC1 ZINC000267334156 550029898 /nfs/dbraw/zinc/02/98/98/550029898.db2.gz BJRYIVDXYJQUOD-AWEZNQCLSA-N 0 3 356.470 2.234 20 30 FEEDHN C=CCN(CCc1ccco1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000491331309 561444738 /nfs/dbraw/zinc/44/47/38/561444738.db2.gz XNHBUFCGFSCEOE-QGZVFWFLSA-N 0 3 369.421 2.188 20 30 FEEDHN CN(CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000492268619 561450560 /nfs/dbraw/zinc/45/05/60/561450560.db2.gz KEZKERYKVRLERZ-HNNXBMFYSA-N 0 3 359.449 2.060 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)CNCC2CC2)nc1C ZINC000269204642 550167171 /nfs/dbraw/zinc/16/71/71/550167171.db2.gz JYPWIYPLUAZWQY-UHFFFAOYSA-N 0 3 364.500 2.123 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H]2CCC[C@@]2(C)CO)cc1 ZINC000493650096 561457374 /nfs/dbraw/zinc/45/73/74/561457374.db2.gz AYXGGEDUJNBTGU-QUCCMNQESA-N 0 3 359.470 2.473 20 30 FEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000270849028 550313842 /nfs/dbraw/zinc/31/38/42/550313842.db2.gz HPEKYGUPXSYYRJ-QGZVFWFLSA-N 0 3 364.453 2.050 20 30 FEEDHN CS[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@H]1N(C)C ZINC000271145760 550345205 /nfs/dbraw/zinc/34/52/05/550345205.db2.gz PQMBTIACEYHKKR-SJORKVTESA-N 0 3 374.510 2.171 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000494330449 561467442 /nfs/dbraw/zinc/46/74/42/561467442.db2.gz OQVOKNIKVJFRSJ-NHCUHLMSSA-N 0 3 371.525 2.422 20 30 FEEDHN CN1C(=O)C[C@H](NC[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000276961570 550616013 /nfs/dbraw/zinc/61/60/13/550616013.db2.gz QCSSLTLMUQMYSK-NSHGMRRFSA-N 0 3 371.387 2.431 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278781591 550821342 /nfs/dbraw/zinc/82/13/42/550821342.db2.gz DGHKBUQDDDLBOQ-UHFFFAOYSA-N 0 3 368.485 2.055 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)cc(OC)c2C)CC1 ZINC000279781735 550928066 /nfs/dbraw/zinc/92/80/66/550928066.db2.gz GVMZUVFNFHVLDH-UHFFFAOYSA-N 0 3 359.470 2.407 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000279889308 550939978 /nfs/dbraw/zinc/93/99/78/550939978.db2.gz DXEXRPRRNPFULB-OAHLLOKOSA-N 0 3 370.371 2.080 20 30 FEEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000279894089 550940588 /nfs/dbraw/zinc/94/05/88/550940588.db2.gz DCTDOMUQCLCQEP-BBRMVZONSA-N 0 3 364.371 2.336 20 30 FEEDHN COC(=O)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000279925948 550943683 /nfs/dbraw/zinc/94/36/83/550943683.db2.gz GEKBCDYFNODRAM-KRWDZBQOSA-N 0 3 353.422 2.480 20 30 FEEDHN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280455275 550995972 /nfs/dbraw/zinc/99/59/72/550995972.db2.gz NXFUOUBCHBEMQD-WOJBJXKFSA-N 0 3 374.444 2.056 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](OCc3ccccn3)C2)cc1 ZINC000280492259 550999703 /nfs/dbraw/zinc/99/97/03/550999703.db2.gz VSLVUMOTGLTRTK-ICSRJNTNSA-N 0 3 360.417 2.453 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H](N4CCCCC4)C3)CC2)o1 ZINC000280515903 551002592 /nfs/dbraw/zinc/00/25/92/551002592.db2.gz MHXCYPKEFIBFKU-KRWDZBQOSA-N 0 3 371.485 2.158 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C ZINC000280776186 551031104 /nfs/dbraw/zinc/03/11/04/551031104.db2.gz DRHVSFWNERLJAT-RVKKMQEKSA-N 0 3 352.438 2.146 20 30 FEEDHN C[C@@H]1OCC[C@]12CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000281349269 551087054 /nfs/dbraw/zinc/08/70/54/551087054.db2.gz XOXLLFUIOUYWHQ-QIJLZVCCSA-N 0 3 353.422 2.035 20 30 FEEDHN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000283663311 551405325 /nfs/dbraw/zinc/40/53/25/551405325.db2.gz QNTBLASQMBPZOY-QGZVFWFLSA-N 0 3 368.485 2.075 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2S[C@@H](C)C(N)=O)CC1 ZINC000283730526 551417940 /nfs/dbraw/zinc/41/79/40/551417940.db2.gz ZFQIQCDZVIBTQD-AWEZNQCLSA-N 0 3 361.511 2.423 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)NCCCCOC(C)C)C(C)C ZINC000284055006 551475534 /nfs/dbraw/zinc/47/55/34/551475534.db2.gz MYIXXGFCBZNTPE-GOSISDBHSA-N 0 3 367.534 2.123 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccncc1)C(C)C ZINC000284111746 551485804 /nfs/dbraw/zinc/48/58/04/551485804.db2.gz QGTRWTCTVQATBT-PKOBYXMFSA-N 0 3 372.513 2.416 20 30 FEEDHN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000284458683 551553621 /nfs/dbraw/zinc/55/36/21/551553621.db2.gz RSWUJALKLJRCTF-UHFFFAOYSA-N 0 3 366.469 2.138 20 30 FEEDHN CN1CC[C@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000284459117 551553664 /nfs/dbraw/zinc/55/36/64/551553664.db2.gz AHKHPRQSWIXUIP-WOJBJXKFSA-N 0 3 365.481 2.369 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCCc3ccccc3C2)CC1 ZINC000286434966 551884859 /nfs/dbraw/zinc/88/48/59/551884859.db2.gz GRCSOWCBIXMQJX-UHFFFAOYSA-N 0 3 355.482 2.118 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)CC1 ZINC000286744690 551921093 /nfs/dbraw/zinc/92/10/93/551921093.db2.gz NVXBSAFYRKODIE-UHFFFAOYSA-N 0 3 363.408 2.085 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC3(CCC3)C2)cc1 ZINC000287044421 551955655 /nfs/dbraw/zinc/95/56/55/551955655.db2.gz GMRCJZIPJMONQB-ZDUSSCGKSA-N 0 3 363.439 2.159 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCSC2)cc1 ZINC000287330939 551990666 /nfs/dbraw/zinc/99/06/66/551990666.db2.gz OSMUPHUEWUXMPG-YPMHNXCESA-N 0 3 353.469 2.389 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2cscn2)cc1 ZINC000287480939 552009810 /nfs/dbraw/zinc/00/98/10/552009810.db2.gz YZIZZHOKBUBYOV-NSHDSACASA-N 0 3 364.452 2.493 20 30 FEEDHN CN(C)CCCN(CCC#N)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000499342043 561549307 /nfs/dbraw/zinc/54/93/07/561549307.db2.gz IALXHSQAFSHMOS-UHFFFAOYSA-N 0 3 373.453 2.115 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000499694880 561556293 /nfs/dbraw/zinc/55/62/93/561556293.db2.gz WOPAVBZNCSFFAT-QGZVFWFLSA-N 0 3 370.563 2.349 20 30 FEEDHN Cc1onc(CC(=O)N(CCCc2ccccc2)CCN(C)C)c1C#N ZINC000499752889 561557549 /nfs/dbraw/zinc/55/75/49/561557549.db2.gz UPOCWBAVUSMCTJ-UHFFFAOYSA-N 0 3 354.454 2.420 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000290146764 552434825 /nfs/dbraw/zinc/43/48/25/552434825.db2.gz NFDYJSNDNWLKRE-YOEHRIQHSA-N 0 3 357.454 2.071 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)CC1 ZINC000290649504 552512688 /nfs/dbraw/zinc/51/26/88/552512688.db2.gz FHLQIDUGWZNJKW-IBGZPJMESA-N 0 3 354.498 2.483 20 30 FEEDHN C#Cc1ccccc1CC(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000290677169 552518155 /nfs/dbraw/zinc/51/81/55/552518155.db2.gz LSPSEOMGLYYIGB-UHFFFAOYSA-N 0 3 366.461 2.476 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncn(C(C)(C)C)n1 ZINC000291129042 552590505 /nfs/dbraw/zinc/59/05/05/552590505.db2.gz ALZMOQFIOAJEHM-UHFFFAOYSA-N 0 3 354.458 2.109 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)Cn1cccn1 ZINC000501236643 561593071 /nfs/dbraw/zinc/59/30/71/561593071.db2.gz SRSAMNXVHSBDMV-JKSUJKDBSA-N 0 3 355.442 2.205 20 30 FEEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(N2CCCNC2=O)cc1 ZINC000291267863 552608232 /nfs/dbraw/zinc/60/82/32/552608232.db2.gz PHYQKCAPNSHIAT-HNNXBMFYSA-N 0 3 357.458 2.019 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(F)(F)[C@H](CO)C1)C(C)C ZINC000291579892 552639654 /nfs/dbraw/zinc/63/96/54/552639654.db2.gz YGECUTFIQTYNKL-HOTGVXAUSA-N 0 3 359.461 2.344 20 30 FEEDHN CN1CC[C@@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000292048363 552688254 /nfs/dbraw/zinc/68/82/54/552688254.db2.gz AQUJZVONZCZWPG-OXJNMPFZSA-N 0 3 356.445 2.078 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(C[C@@H](O)COCc3ccccc3F)C2)nc1 ZINC000292096126 552693262 /nfs/dbraw/zinc/69/32/62/552693262.db2.gz FXPICIPBWBOWPO-MSOLQXFVSA-N 0 3 371.412 2.123 20 30 FEEDHN CN(C(=O)CCN1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000292123729 552696004 /nfs/dbraw/zinc/69/60/04/552696004.db2.gz IEVJFLKDXXMCCT-SFHVURJKSA-N 0 3 350.422 2.459 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(C[C@H](O)COCc3cccs3)C2)nc1 ZINC000292375438 552720888 /nfs/dbraw/zinc/72/08/88/552720888.db2.gz YWBXTHOQEMDWLK-HOTGVXAUSA-N 0 3 359.451 2.046 20 30 FEEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)CC1 ZINC000292445887 552727558 /nfs/dbraw/zinc/72/75/58/552727558.db2.gz YTKLIERVGZWSST-UHFFFAOYSA-N 0 3 374.460 2.249 20 30 FEEDHN C=CCCCS(=O)(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000292711992 552751924 /nfs/dbraw/zinc/75/19/24/552751924.db2.gz UARQKHQMSMUKLO-GOSISDBHSA-N 0 3 352.500 2.029 20 30 FEEDHN CN1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)C1 ZINC000293291827 552808148 /nfs/dbraw/zinc/80/81/48/552808148.db2.gz IBILGOCEFOWVIC-SFHVURJKSA-N 0 3 360.845 2.094 20 30 FEEDHN CN1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)C2)C1 ZINC000293530801 552832693 /nfs/dbraw/zinc/83/26/93/552832693.db2.gz ZNHJKKNQSIUUOO-SFHVURJKSA-N 0 3 360.845 2.094 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCCN3C3CCCC3)C2)nc1 ZINC000293734901 552851432 /nfs/dbraw/zinc/85/14/32/552851432.db2.gz NPWGZCONMBZPKE-QZTJIDSGSA-N 0 3 354.454 2.340 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000293937348 552869363 /nfs/dbraw/zinc/86/93/63/552869363.db2.gz IMUIKCOHHUYFDA-UHFFFAOYSA-N 0 3 351.450 2.031 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(C)ccc1I ZINC000294088002 552880862 /nfs/dbraw/zinc/88/08/62/552880862.db2.gz XJAPKUOMHXRKLG-UHFFFAOYSA-N 0 3 370.234 2.285 20 30 FEEDHN COc1cc(/C=C/C(=O)Nc2ccnn2CCN(C)C)ccc1OCC#N ZINC000294107295 552882262 /nfs/dbraw/zinc/88/22/62/552882262.db2.gz OUWTTWSUSZBWKC-FNORWQNLSA-N 0 3 369.425 2.008 20 30 FEEDHN C#CCNC(=O)CCN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000294635467 552922514 /nfs/dbraw/zinc/92/25/14/552922514.db2.gz PNWJLEWBTMXUFC-UHFFFAOYSA-N 0 3 370.371 2.008 20 30 FEEDHN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)C)CC1 ZINC000295879990 553070874 /nfs/dbraw/zinc/07/08/74/553070874.db2.gz GZMKWZSBTSPZIB-UHFFFAOYSA-N 0 3 357.506 2.246 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(C)C ZINC000502629209 561622490 /nfs/dbraw/zinc/62/24/90/561622490.db2.gz AYXTTWPSRAZZRO-MOPGFXCFSA-N 0 3 374.533 2.398 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1c1ncc(Br)cc1C#N ZINC000296805395 553214217 /nfs/dbraw/zinc/21/42/17/553214217.db2.gz PPKISPKHMNWXRT-LBPRGKRZSA-N 0 3 365.275 2.405 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000297019704 553242953 /nfs/dbraw/zinc/24/29/53/553242953.db2.gz VDXNOPAWJYEFDP-HNNXBMFYSA-N 0 3 356.470 2.350 20 30 FEEDHN C[C@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@@H]1N(C)C ZINC000297274888 553272093 /nfs/dbraw/zinc/27/20/93/553272093.db2.gz GLFGKOFFPABKBJ-AAEUAGOBSA-N 0 3 362.499 2.264 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC000298557188 553440067 /nfs/dbraw/zinc/44/00/67/553440067.db2.gz YSDMURRLULSTFR-CVEARBPZSA-N 0 3 364.371 2.383 20 30 FEEDHN CN(C)CCOc1cccc(CNS(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000298863878 553482382 /nfs/dbraw/zinc/48/23/82/553482382.db2.gz ROSZLGRUPWZELT-UHFFFAOYSA-N 0 3 373.478 2.118 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000299192718 553528097 /nfs/dbraw/zinc/52/80/97/553528097.db2.gz SGPYVHAAKSHFGH-JOCHJYFZSA-N 0 3 369.509 2.188 20 30 FEEDHN C=CCOc1cccc(CNCc2ccc(OCC(N)=O)c(OC)c2)c1 ZINC000299316014 553546791 /nfs/dbraw/zinc/54/67/91/553546791.db2.gz GLROYRVSVKXTOU-UHFFFAOYSA-N 0 3 356.422 2.414 20 30 FEEDHN CCC[C@H](NC(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504335910 561656538 /nfs/dbraw/zinc/65/65/38/561656538.db2.gz HYANJLHWHCGTSD-ZWKOTPCHSA-N 0 3 356.470 2.337 20 30 FEEDHN Cc1ccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N(C)C)cc1 ZINC000301372903 553646251 /nfs/dbraw/zinc/64/62/51/553646251.db2.gz QEHZAFISHYWGER-SFHVURJKSA-N 0 3 358.467 2.229 20 30 FEEDHN CCN1CCN(CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302663332 553724472 /nfs/dbraw/zinc/72/44/72/553724472.db2.gz MBVQOMCJYNKILU-UHFFFAOYSA-N 0 3 368.441 2.454 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@]4(C3)CCCN(C)C4)cc2C1=O ZINC000505568927 561674221 /nfs/dbraw/zinc/67/42/21/561674221.db2.gz OZOGEONHXYUUHF-OAQYLSRUSA-N 0 3 367.449 2.027 20 30 FEEDHN N#Cc1cncc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000312038696 553756075 /nfs/dbraw/zinc/75/60/75/553756075.db2.gz UWAWPQPCLAVXPA-QGZVFWFLSA-N 0 3 370.478 2.144 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CCN1Cc1ccccc1 ZINC000328661351 553804106 /nfs/dbraw/zinc/80/41/06/553804106.db2.gz AEAJSZJXZVFRMP-LULLPPNCSA-N 0 3 359.470 2.053 20 30 FEEDHN Cc1cc(=O)c(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)cn1C1CC1 ZINC000328780902 553821281 /nfs/dbraw/zinc/82/12/81/553821281.db2.gz MRDOZEJBLOAGIT-HNNXBMFYSA-N 0 3 359.470 2.297 20 30 FEEDHN CN1CCOC[C@@H]1C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000329131673 553886598 /nfs/dbraw/zinc/88/65/98/553886598.db2.gz OXKZILDVQOPEHC-DOTOQJQBSA-N 0 3 360.458 2.352 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000329143582 553888346 /nfs/dbraw/zinc/88/83/46/553888346.db2.gz VQTVPBGFEROIMR-DDBAPUKQSA-N 0 3 371.485 2.038 20 30 FEEDHN CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@H](C)N3CCC(C)CC3)CC[C@@H]21 ZINC000329147144 553888976 /nfs/dbraw/zinc/88/89/76/553888976.db2.gz XOULXDYBFNJJGL-BBWFWOEESA-N 0 3 365.522 2.102 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CNC(=O)Nc2cccc(C)c2)C1 ZINC000329210064 553903285 /nfs/dbraw/zinc/90/32/85/553903285.db2.gz YTRAOSKLIKSAIC-ROUUACIJSA-N 0 3 374.485 2.033 20 30 FEEDHN C[C@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000329264445 553913354 /nfs/dbraw/zinc/91/33/54/553913354.db2.gz GRYRRMXJCNBPNI-LXTVHRRPSA-N 0 3 357.520 2.161 20 30 FEEDHN CCc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000329326802 553925751 /nfs/dbraw/zinc/92/57/51/553925751.db2.gz WVSDKKPHANQTCY-SFHVURJKSA-N 0 3 370.497 2.158 20 30 FEEDHN N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H](N4CCCCC4)C3)cc2)c1N ZINC000329329822 553926270 /nfs/dbraw/zinc/92/62/70/553926270.db2.gz VMXHTQIIJVYFER-GOSISDBHSA-N 0 3 364.453 2.027 20 30 FEEDHN Cc1nnc2n1C[C@H](CNC(=O)N1CCN(CC3CCCCC3)CC1)CC2 ZINC000329651646 553982720 /nfs/dbraw/zinc/98/27/20/553982720.db2.gz KXHXURWOLVDNEJ-SFHVURJKSA-N 0 3 374.533 2.261 20 30 FEEDHN Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCN(CC3CCCCC3)CC1)CC2 ZINC000329651646 553982722 /nfs/dbraw/zinc/98/27/22/553982722.db2.gz KXHXURWOLVDNEJ-SFHVURJKSA-N 0 3 374.533 2.261 20 30 FEEDHN C[C@H](NC(=O)NC[C@@H]1CCCCS1(=O)=O)[C@H]1CCCN(C2CCC2)C1 ZINC000329693103 553990261 /nfs/dbraw/zinc/99/02/61/553990261.db2.gz AVSOWRKBDLAFJP-ZOBUZTSGSA-N 0 3 371.547 2.110 20 30 FEEDHN C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000329802525 554008372 /nfs/dbraw/zinc/00/83/72/554008372.db2.gz ZDPIPHRVRBLDET-IXDOHACOSA-N 0 3 371.547 2.064 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)CCN1C ZINC000329805122 554009274 /nfs/dbraw/zinc/00/92/74/554009274.db2.gz MSASHVODHRXPCB-WBVHZDCISA-N 0 3 350.507 2.108 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)N[C@@H]3CCCc4c[nH]nc43)CC2)CC1 ZINC000329810310 554010232 /nfs/dbraw/zinc/01/02/32/554010232.db2.gz CHJGYSMLGIFWIG-QGZVFWFLSA-N 0 3 374.533 2.051 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000329860086 554020183 /nfs/dbraw/zinc/02/01/83/554020183.db2.gz PEWJIPCFZHSUTJ-GASCZTMLSA-N 0 3 365.499 2.382 20 30 FEEDHN CCC1(CC)CN(CC(=O)NC2CCN(C3CC3)CC2)CC[S@@]1=O ZINC000329890894 554025793 /nfs/dbraw/zinc/02/57/93/554025793.db2.gz GZQDISIEHSRDFA-DEOSSOPVSA-N 0 3 355.548 2.193 20 30 FEEDHN CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000329974018 554042248 /nfs/dbraw/zinc/04/22/48/554042248.db2.gz YXKOQCZHPGFLSJ-HOCLYGCPSA-N 0 3 357.520 2.022 20 30 FEEDHN CC(=O)N1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000330062398 554057551 /nfs/dbraw/zinc/05/75/51/554057551.db2.gz PFGXYBNMFHHNNK-FRQCXROJSA-N 0 3 358.486 2.289 20 30 FEEDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn([C@@H]2CCOC2)nn1 ZINC000330070680 554059075 /nfs/dbraw/zinc/05/90/75/554059075.db2.gz XGVAHRPYOAIMAO-QGZVFWFLSA-N 0 3 355.442 2.209 20 30 FEEDHN Cc1cccc2nc(CNC(=O)C(C)S(=O)(=O)C3CCOCC3)cn21 ZINC000330086894 554062406 /nfs/dbraw/zinc/06/24/06/554062406.db2.gz SNAOJVDPQUFEDE-ZDUSSCGKSA-N 0 3 365.455 2.082 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2c(C)nn(C)c2C)C[C@@H]1N1CCCC1 ZINC000330098592 554063754 /nfs/dbraw/zinc/06/37/54/554063754.db2.gz CBYOBWYBVXXQMF-LSDHHAIUSA-N 0 3 351.520 2.137 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000330156291 554075893 /nfs/dbraw/zinc/07/58/93/554075893.db2.gz YSJSRZSOHYOERO-RCCFBDPRSA-N 0 3 362.518 2.108 20 30 FEEDHN CC(C(=O)N[C@@H]1CCc2c1cccc2O)S(=O)(=O)C1CCOCC1 ZINC000330164753 554076824 /nfs/dbraw/zinc/07/68/24/554076824.db2.gz UDXMTKSDDPFAOS-IAQYHMDHSA-N 0 3 353.440 2.318 20 30 FEEDHN CO[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C[C@@H]1OC ZINC000330170930 554078022 /nfs/dbraw/zinc/07/80/22/554078022.db2.gz DZOJLBDERQTDOK-MPTYRVRUSA-N 0 3 367.515 2.391 20 30 FEEDHN C[C@]1(CNC(=O)N[C@H]2CCc3ncnn3C2)CCCN1Cc1ccccc1 ZINC000330246448 554092160 /nfs/dbraw/zinc/09/21/60/554092160.db2.gz LGLIVDWMLLVWIJ-FXAWDEMLSA-N 0 3 368.485 2.151 20 30 FEEDHN Cc1nnc([C@@H](C)NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)s1 ZINC000330324235 554105662 /nfs/dbraw/zinc/10/56/62/554105662.db2.gz UAPOWZBHJQINSA-NWDGAFQWSA-N 0 3 353.492 2.007 20 30 FEEDHN COCCN1CC[C@@H](NC(=O)NCc2cc(Br)cs2)C1 ZINC000330838386 554177602 /nfs/dbraw/zinc/17/76/02/554177602.db2.gz MFKQJZGHXGXOGG-LLVKDONJSA-N 0 3 362.293 2.235 20 30 FEEDHN CCCCNC(=O)NC(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000330920441 554188537 /nfs/dbraw/zinc/18/85/37/554188537.db2.gz PESBDFJDMHPLCZ-TWMKSMIVSA-N 0 3 353.507 2.468 20 30 FEEDHN C=CCn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000508480446 561763254 /nfs/dbraw/zinc/76/32/54/561763254.db2.gz GYMNPCZPKGKUDS-UHFFFAOYSA-N 0 3 373.526 2.417 20 30 FEEDHN C=CCN1CCC(NC(=O)C2(NC(=O)NC(C)C)CCCCC2)CC1 ZINC000331013468 554201263 /nfs/dbraw/zinc/20/12/63/554201263.db2.gz SVNYDLJEXRKRTD-UHFFFAOYSA-N 0 3 350.507 2.368 20 30 FEEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000508770359 561772224 /nfs/dbraw/zinc/77/22/24/561772224.db2.gz OBBBIDLSHJSTAG-VQIMIIECSA-N 0 3 358.486 2.447 20 30 FEEDHN CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331304773 554244896 /nfs/dbraw/zinc/24/48/96/554244896.db2.gz UPJWTZWZWJVHNT-UWVGGRQHSA-N 0 3 361.368 2.047 20 30 FEEDHN CCCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000331316836 554246384 /nfs/dbraw/zinc/24/63/84/554246384.db2.gz JHYMHXCNLWOMSK-HZPDHXFCSA-N 0 3 352.523 2.259 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508909310 561777955 /nfs/dbraw/zinc/77/79/55/561777955.db2.gz YZLQRZZCFKYGSC-INIZCTEOSA-N 0 3 362.522 2.159 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000331629950 554298046 /nfs/dbraw/zinc/29/80/46/554298046.db2.gz SHCKQRXAALIPHA-XCJLJZCSSA-N 0 3 367.449 2.019 20 30 FEEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331743750 554320011 /nfs/dbraw/zinc/32/00/11/554320011.db2.gz YAYBORREGDTNJN-NRFANRHFSA-N 0 3 355.482 2.437 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000509497097 561802405 /nfs/dbraw/zinc/80/24/05/561802405.db2.gz ZNGUBLOGJOEJLW-UHFFFAOYSA-N 0 3 364.449 2.088 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000333413205 554610831 /nfs/dbraw/zinc/61/08/31/554610831.db2.gz KMJDLQCSTQCJPR-INIZCTEOSA-N 0 3 351.447 2.134 20 30 FEEDHN N#Cc1ccc(NCCCCN2CCN(Cc3ccccc3)CC2)nn1 ZINC000611239821 554618911 /nfs/dbraw/zinc/61/89/11/554618911.db2.gz VUYMNWGANLCSEV-UHFFFAOYSA-N 0 3 350.470 2.358 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@]2(C)CO)cc1 ZINC000334022192 554669435 /nfs/dbraw/zinc/66/94/35/554669435.db2.gz IYHDFMPDDRQMQN-ISTRZQFTSA-N 0 3 365.455 2.045 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)CC1 ZINC000361672188 554928570 /nfs/dbraw/zinc/92/85/70/554928570.db2.gz SRHXCFLBTOCQPC-GOSISDBHSA-N 0 3 367.493 2.206 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(C)C ZINC000362473550 554974551 /nfs/dbraw/zinc/97/45/51/554974551.db2.gz NNOGFJQRXWZUDD-QZTJIDSGSA-N 0 3 362.518 2.138 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000362908097 554998315 /nfs/dbraw/zinc/99/83/15/554998315.db2.gz YKLYGSPLXCRRCN-MRXNPFEDSA-N 0 3 356.470 2.295 20 30 FEEDHN C[C@H](NC(C)(C)CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000363129238 555036850 /nfs/dbraw/zinc/03/68/50/555036850.db2.gz DEZVTDFJVBOFOH-QFBILLFUSA-N 0 3 369.513 2.498 20 30 FEEDHN C=CCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363311297 555075716 /nfs/dbraw/zinc/07/57/16/555075716.db2.gz UIHWOBARZQEZBT-KRWDZBQOSA-N 0 3 352.438 2.016 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCc2nnc(-c3ccccn3)o2)CC1 ZINC000363338622 555081022 /nfs/dbraw/zinc/08/10/22/555081022.db2.gz JBSVXLZBLFUMSB-UHFFFAOYSA-N 0 3 355.442 2.221 20 30 FEEDHN C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000363384688 555091964 /nfs/dbraw/zinc/09/19/64/555091964.db2.gz OCIUGFCZBUQPLV-XHSDSOJGSA-N 0 3 355.486 2.300 20 30 FEEDHN CCN1CCc2c(cccc2-n2nnc(C(=O)N(C)C[C@@H](C)C#N)c2C)C1 ZINC000363397377 555095277 /nfs/dbraw/zinc/09/52/77/555095277.db2.gz NFSOFTPPCLSQLL-AWEZNQCLSA-N 0 3 366.469 2.185 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000363663958 555158982 /nfs/dbraw/zinc/15/89/82/555158982.db2.gz VYGHXMJIHWCEGB-UXPWSPDFSA-N 0 3 371.481 2.137 20 30 FEEDHN C=CC[C@H](CO)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000363785660 555185993 /nfs/dbraw/zinc/18/59/93/555185993.db2.gz ZMCYNQRELUSNMG-ZHALLVOQSA-N 0 3 361.486 2.314 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](OCc3c(C)noc3C)C2)CC1 ZINC000364005491 555231880 /nfs/dbraw/zinc/23/18/80/555231880.db2.gz SPFVQYPQOXQQJG-KRWDZBQOSA-N 0 3 362.474 2.242 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC2CCN(CC3CCCCC3)CC2)cn1 ZINC000364043975 555239378 /nfs/dbraw/zinc/23/93/78/555239378.db2.gz VPBVHMDVXNYVEP-UHFFFAOYSA-N 0 3 362.499 2.276 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000364161498 555260867 /nfs/dbraw/zinc/26/08/67/555260867.db2.gz MNRPXKVSJFCGBR-HKUYNNGSSA-N 0 3 359.470 2.256 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364162111 555261155 /nfs/dbraw/zinc/26/11/55/555261155.db2.gz ROSLEUMNWOEKOM-UHFFFAOYSA-N 0 3 361.486 2.240 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000364230834 555275054 /nfs/dbraw/zinc/27/50/54/555275054.db2.gz LVZHWDDBFRHDKZ-HXUWFJFHSA-N 0 3 363.502 2.237 20 30 FEEDHN C=CCN(C(=O)Nc1nccn(C)c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364288297 555285428 /nfs/dbraw/zinc/28/54/28/555285428.db2.gz GSLLVJZDEHEQDF-QGZVFWFLSA-N 0 3 367.453 2.075 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@H]1c1cccs1 ZINC000512764183 561914668 /nfs/dbraw/zinc/91/46/68/561914668.db2.gz BVPDHRTXNSNIGB-RDJZCZTQSA-N 0 3 374.510 2.009 20 30 FEEDHN C[C@@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1F ZINC000512625509 561910602 /nfs/dbraw/zinc/91/06/02/561910602.db2.gz OLDPRMMNTXVGAY-MRXNPFEDSA-N 0 3 368.460 2.350 20 30 FEEDHN CC1CCN(CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000512671775 561911893 /nfs/dbraw/zinc/91/18/93/561911893.db2.gz GWZFTCLLVPOVAW-FQEVSTJZSA-N 0 3 369.513 2.138 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000364840449 555412665 /nfs/dbraw/zinc/41/26/65/555412665.db2.gz NEBKOQCNQCIZFD-HXUWFJFHSA-N 0 3 351.535 2.091 20 30 FEEDHN COc1ccc(CN2CCCN([C@H](C)CO)CC2)cc1OCCCC#N ZINC000364924478 555439240 /nfs/dbraw/zinc/43/92/40/555439240.db2.gz UTEWPOCNBZLVAV-QGZVFWFLSA-N 0 3 361.486 2.266 20 30 FEEDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc(C#N)c(F)c4)C[C@H]3C2)no1 ZINC000365267956 555527500 /nfs/dbraw/zinc/52/75/00/555527500.db2.gz ORKQPJDUZQWRRZ-IYBDPMFKSA-N 0 3 355.417 2.207 20 30 FEEDHN C#CCOc1ccccc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365366198 555555076 /nfs/dbraw/zinc/55/50/76/555555076.db2.gz RRLAMVPFEDYAJD-UHFFFAOYSA-N 0 3 353.426 2.806 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@H]3CCCN(C)C3)C2)n1 ZINC000365768517 555663125 /nfs/dbraw/zinc/66/31/25/555663125.db2.gz HAMFLEXAHIAGHJ-MSOLQXFVSA-N 0 3 355.486 2.031 20 30 FEEDHN C#CCOc1cc(F)ccc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365834121 555678652 /nfs/dbraw/zinc/67/86/52/555678652.db2.gz ATMLDYHUNBBQRD-UHFFFAOYSA-N 0 3 371.416 2.945 20 30 FEEDHN CN(C)C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)c2ccccc2O1 ZINC000366185220 555775315 /nfs/dbraw/zinc/77/53/15/555775315.db2.gz ZOLFMWLAFWUMQM-QGZVFWFLSA-N 0 3 371.462 2.217 20 30 FEEDHN CCCCCCCCOCC(=O)N=c1nc(C2CC[NH2+]CC2)[n-]n1C ZINC000366462872 555850661 /nfs/dbraw/zinc/85/06/61/555850661.db2.gz YXPYWRCFXMAPQZ-UHFFFAOYSA-N 0 3 351.495 2.020 20 30 FEEDHN C#CCCCNC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000367757921 556131711 /nfs/dbraw/zinc/13/17/11/556131711.db2.gz BSVRSZOREBCZSW-FQEVSTJZSA-N 0 3 354.498 2.002 20 30 FEEDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1cnc2ccc(C#N)cn12 ZINC000368045941 556203199 /nfs/dbraw/zinc/20/31/99/556203199.db2.gz PMRZQRGRGXHVIP-QLPKVWCKSA-N 0 3 353.426 2.161 20 30 FEEDHN C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000368712193 556394816 /nfs/dbraw/zinc/39/48/16/556394816.db2.gz LAYWTGCQDYERGP-FXAWDEMLSA-N 0 3 366.509 2.074 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000368724130 556398151 /nfs/dbraw/zinc/39/81/51/556398151.db2.gz HZNUJGSCGZURHH-OXJNMPFZSA-N 0 3 363.502 2.400 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000368925305 556449930 /nfs/dbraw/zinc/44/99/30/556449930.db2.gz QZXZJIOLVQXVMN-SFTDATJTSA-N 0 3 360.498 2.311 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369064127 556494558 /nfs/dbraw/zinc/49/45/58/556494558.db2.gz LYTZYQVDMPERPS-OAHLLOKOSA-N 0 3 356.470 2.341 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000369064127 556494559 /nfs/dbraw/zinc/49/45/59/556494559.db2.gz LYTZYQVDMPERPS-OAHLLOKOSA-N 0 3 356.470 2.341 20 30 FEEDHN N#CC[C@@H](CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000369530090 556622072 /nfs/dbraw/zinc/62/20/72/556622072.db2.gz GFRSGFWFKYMIGG-PKOBYXMFSA-N 0 3 368.481 2.015 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000369590258 556640672 /nfs/dbraw/zinc/64/06/72/556640672.db2.gz CZTPOTQOJPPXOQ-OAQYLSRUSA-N 0 3 367.493 2.344 20 30 FEEDHN COc1ccc(CNCCC(=O)N2CCOc3ccccc3C2)cc1C#N ZINC000369670990 556664160 /nfs/dbraw/zinc/66/41/60/556664160.db2.gz CNWLLYVGINTWKT-UHFFFAOYSA-N 0 3 365.433 2.468 20 30 FEEDHN Cc1nc(C)n(C[C@H]2CCCN2CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000369784682 556693981 /nfs/dbraw/zinc/69/39/81/556693981.db2.gz PWXVFCPDLJGRDA-GOSISDBHSA-N 0 3 352.442 2.260 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc4c(c3)CNCC4)C2)nc1 ZINC000516632847 562051756 /nfs/dbraw/zinc/05/17/56/562051756.db2.gz MEVHBWWILCMAQW-SFHVURJKSA-N 0 3 363.421 2.284 20 30 FEEDHN N#Cc1ccccc1-c1ccc(CNCC2(O)CCS(=O)(=O)CC2)cc1 ZINC000516922561 562064926 /nfs/dbraw/zinc/06/49/26/562064926.db2.gz IBGDGGPQOMCGOG-UHFFFAOYSA-N 0 3 370.474 2.255 20 30 FEEDHN N#C[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCN1C1CC1 ZINC000370990708 557038323 /nfs/dbraw/zinc/03/83/23/557038323.db2.gz IGVNHTFQZUOUPE-XLIONFOSSA-N 0 3 370.472 2.236 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371995052 557350863 /nfs/dbraw/zinc/35/08/63/557350863.db2.gz WASYRFYRRPLHJQ-QYZOEREBSA-N 0 3 366.550 2.442 20 30 FEEDHN CN(C1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000372162018 557396566 /nfs/dbraw/zinc/39/65/66/557396566.db2.gz DERHJYCVJAMOGI-UHFFFAOYSA-N 0 3 374.441 2.382 20 30 FEEDHN Cc1cc(NC(=O)N(C)C[C@H]2CCCN(C)C2)nn1-c1cccc(C#N)c1 ZINC000372376101 557454263 /nfs/dbraw/zinc/45/42/63/557454263.db2.gz JWHXZYCYARIZDN-KRWDZBQOSA-N 0 3 366.469 2.858 20 30 FEEDHN C=CCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372598777 557516767 /nfs/dbraw/zinc/51/67/67/557516767.db2.gz HGOMAZXDDITJJF-RTBURBONSA-N 0 3 370.497 2.066 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000519586742 562135857 /nfs/dbraw/zinc/13/58/57/562135857.db2.gz SRWLZGCLPTXZLR-QGZVFWFLSA-N 0 3 357.458 2.067 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CNC[C@@H]1CN2CCC[C@H]2CO1 ZINC000372671960 557534428 /nfs/dbraw/zinc/53/44/28/557534428.db2.gz FTOYBWKXHLVVQP-LEWJYISDSA-N 0 3 350.466 2.361 20 30 FEEDHN COc1ccc2c(c1)[C@H](NCCNC(=O)C1N=CC=CC1=O)CCCO2 ZINC000373142407 557637383 /nfs/dbraw/zinc/63/73/83/557637383.db2.gz YREGLSQJIRUWHW-RAJOGRCSSA-N 0 3 357.410 2.025 20 30 FEEDHN CC(C)c1noc([C@@]23CCC[C@@H]2CN(CCC(=O)N(C)CCC#N)C3)n1 ZINC000373663910 557733891 /nfs/dbraw/zinc/73/38/91/557733891.db2.gz ZGAQPLLCEAKDKA-DNVCBOLYSA-N 0 3 359.474 2.309 20 30 FEEDHN CC(C)(C)OC(=O)N1CC[C@@](C)(CN2CCC(n3cnc(C#N)n3)CC2)C1 ZINC000374224166 557846024 /nfs/dbraw/zinc/84/60/24/557846024.db2.gz HQGLVGJEPLFLDF-IBGZPJMESA-N 0 3 374.489 2.434 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000374284528 557857766 /nfs/dbraw/zinc/85/77/66/557857766.db2.gz AFKOZQBQUHCSJI-HKUYNNGSSA-N 0 3 357.498 2.349 20 30 FEEDHN C[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374322463 557865524 /nfs/dbraw/zinc/86/55/24/557865524.db2.gz DIEQMWISYKVKQX-LPHOPBHVSA-N 0 3 372.538 2.135 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000374468617 557887969 /nfs/dbraw/zinc/88/79/69/557887969.db2.gz DRGWDKMBKFKCNM-IBGZPJMESA-N 0 3 354.454 2.196 20 30 FEEDHN C[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1=CCN(C)CC1 ZINC000374727540 557922103 /nfs/dbraw/zinc/92/21/03/557922103.db2.gz BQKIYAXKXNUUEA-HNAYVOBHSA-N 0 3 354.454 2.292 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@H]21 ZINC000375053973 557970712 /nfs/dbraw/zinc/97/07/12/557970712.db2.gz JHMIEICGGFVPIB-GOEBONIOSA-N 0 3 372.494 2.183 20 30 FEEDHN N#CCCN(C(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC1)c1cccc(Cl)c1 ZINC000375338667 558011771 /nfs/dbraw/zinc/01/17/71/558011771.db2.gz SHGIYXUYXLSRPY-QFBILLFUSA-N 0 3 374.872 2.233 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1 ZINC000375521237 558042386 /nfs/dbraw/zinc/04/23/86/558042386.db2.gz PMSJFUNOPJSCJE-SJLPKXTDSA-N 0 3 358.401 2.483 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000375879597 558093050 /nfs/dbraw/zinc/09/30/50/558093050.db2.gz IJZACJUVSCOZFE-DUIUGDAFSA-N 0 3 352.482 2.198 20 30 FEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000521691436 562182280 /nfs/dbraw/zinc/18/22/80/562182280.db2.gz VIODGMSVXAKVAM-CALCHBBNSA-N 0 3 370.501 2.048 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(CN3CCCC3=O)CC2)cc1 ZINC000376442194 558173732 /nfs/dbraw/zinc/17/37/32/558173732.db2.gz PPRPLRPGJHUALH-IBGZPJMESA-N 0 3 364.449 2.102 20 30 FEEDHN COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000376689272 558209013 /nfs/dbraw/zinc/20/90/13/558209013.db2.gz MBBSJULYPAKGKX-HNNXBMFYSA-N 0 3 361.490 2.295 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000376747144 558216415 /nfs/dbraw/zinc/21/64/15/558216415.db2.gz FUNLJNMPVVNTDV-KRWDZBQOSA-N 0 3 353.470 2.017 20 30 FEEDHN C=C(CNC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1)c1ccccc1 ZINC000377078467 558261589 /nfs/dbraw/zinc/26/15/89/558261589.db2.gz NPEALLWSTAIUQY-IBGZPJMESA-N 0 3 356.514 2.369 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(CCCOC)CC1 ZINC000377207493 558288509 /nfs/dbraw/zinc/28/85/09/558288509.db2.gz KSAAJAPDBDPAQL-FQEVSTJZSA-N 0 3 357.498 2.375 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000378308722 558525587 /nfs/dbraw/zinc/52/55/87/558525587.db2.gz NRHKXJYWYDPFEN-QFBILLFUSA-N 0 3 355.486 2.242 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000378464586 558563671 /nfs/dbraw/zinc/56/36/71/558563671.db2.gz CRWHDGWJASGEDD-FQEVSTJZSA-N 0 3 354.454 2.400 20 30 FEEDHN CN(CC(=O)OC(C)(C)C)[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@H]1O ZINC000411678044 558942181 /nfs/dbraw/zinc/94/21/81/558942181.db2.gz UKESFUJEMKDGQO-IAGOWNOFSA-N 0 3 365.518 2.169 20 30 FEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411776478 558960697 /nfs/dbraw/zinc/96/06/97/558960697.db2.gz VQWBASDTXLTCBS-SQNIBIBYSA-N 0 3 355.438 2.375 20 30 FEEDHN CN(C)C1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCC1 ZINC000525850858 562257441 /nfs/dbraw/zinc/25/74/41/562257441.db2.gz DINWTYXNWQNDDQ-UHFFFAOYSA-N 0 3 371.485 2.427 20 30 FEEDHN CO[C@](C)([C@H](C)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000411968930 558997165 /nfs/dbraw/zinc/99/71/65/558997165.db2.gz KQHFUQTWJLRROZ-VBKZILBWSA-N 0 3 367.453 2.476 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000411996673 559000667 /nfs/dbraw/zinc/00/06/67/559000667.db2.gz SLODUWGFYQFBDT-NSHGMRRFSA-N 0 3 373.497 2.316 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](c3n[nH]c(C)n3)C2)c(OC)c1 ZINC000412028061 559003928 /nfs/dbraw/zinc/00/39/28/559003928.db2.gz MPGOSUWKLRUISX-IRXDYDNUSA-N 0 3 372.469 2.079 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](c3nc(C)n[nH]3)C2)c(OC)c1 ZINC000412028061 559003930 /nfs/dbraw/zinc/00/39/30/559003930.db2.gz MPGOSUWKLRUISX-IRXDYDNUSA-N 0 3 372.469 2.079 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](c3nnc(C)[nH]3)C2)c(OC)c1 ZINC000412028061 559003931 /nfs/dbraw/zinc/00/39/31/559003931.db2.gz MPGOSUWKLRUISX-IRXDYDNUSA-N 0 3 372.469 2.079 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000412177243 559018414 /nfs/dbraw/zinc/01/84/14/559018414.db2.gz RFFNXMWHSFNYBU-FFZOFVMBSA-N 0 3 354.498 2.052 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cnn(CC(F)(F)F)c2)cc1 ZINC000526077344 562266325 /nfs/dbraw/zinc/26/63/25/562266325.db2.gz FZPJLUFARNZSNI-OAHLLOKOSA-N 0 3 361.327 2.316 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413156291 559083717 /nfs/dbraw/zinc/08/37/17/559083717.db2.gz RMQJUWKCVHSXBU-UHFFFAOYSA-N 0 3 369.444 2.359 20 30 FEEDHN C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1cnn(C)c1 ZINC000413274680 559094698 /nfs/dbraw/zinc/09/46/98/559094698.db2.gz ZUDWRBCLBYXHRR-INIZCTEOSA-N 0 3 353.470 2.376 20 30 FEEDHN CS(=O)(=O)c1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000413946171 559142303 /nfs/dbraw/zinc/14/23/03/559142303.db2.gz OKURMBDRGJTIND-INIZCTEOSA-N 0 3 356.447 2.479 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413981244 559144886 /nfs/dbraw/zinc/14/48/86/559144886.db2.gz QEVRPPSWCZSERW-HXUWFJFHSA-N 0 3 360.498 2.359 20 30 FEEDHN CNCc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000415928000 559283207 /nfs/dbraw/zinc/28/32/07/559283207.db2.gz GOOYXMZPTBQRRG-UHFFFAOYSA-N 0 3 350.426 2.027 20 30 FEEDHN C=CCN(C(=O)N[C@H]1CCN(CC)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000416735082 559330447 /nfs/dbraw/zinc/33/04/47/559330447.db2.gz PVNCRHABAGULOA-RDJZCZTQSA-N 0 3 369.473 2.015 20 30 FEEDHN C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)CN1 ZINC000417583885 559367894 /nfs/dbraw/zinc/36/78/94/559367894.db2.gz WZLHWUXACUPGGH-FMKPAKJESA-N 0 3 359.449 2.058 20 30 FEEDHN N#CCCn1cc(CN[C@H]2CCN(CC(F)F)C2)c(-c2ccncc2)n1 ZINC000418134556 559391400 /nfs/dbraw/zinc/39/14/00/559391400.db2.gz NMUAVHSIFRPCJQ-INIZCTEOSA-N 0 3 360.412 2.288 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2c(C#N)cn(CC)c2C(=O)OCC)CC1 ZINC000421166968 559528192 /nfs/dbraw/zinc/52/81/92/559528192.db2.gz RROWSKYCIJNYQY-UHFFFAOYSA-N 0 3 373.457 2.328 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N(C)C[C@@H]2CCCN2C)c(C#N)cn1CC ZINC000421181931 559529426 /nfs/dbraw/zinc/52/94/26/559529426.db2.gz KDDCYIOFELOFFK-AWEZNQCLSA-N 0 3 361.446 2.114 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000422536669 559593464 /nfs/dbraw/zinc/59/34/64/559593464.db2.gz DDSLCNHCZPBYKK-BHIYHBOVSA-N 0 3 357.498 2.231 20 30 FEEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000424058375 559653027 /nfs/dbraw/zinc/65/30/27/559653027.db2.gz DEJFODLXIFMNNJ-INIZCTEOSA-N 0 3 357.454 2.407 20 30 FEEDHN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](N)CCCC#N ZINC000424072234 559653669 /nfs/dbraw/zinc/65/36/69/559653669.db2.gz CWTIOKCHUFOCJN-ZDUSSCGKSA-N 0 3 357.241 2.411 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000424098479 559654735 /nfs/dbraw/zinc/65/47/35/559654735.db2.gz CVFPZWSFGLDCNC-GJZGRUSLSA-N 0 3 366.259 2.370 20 30 FEEDHN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424114743 559655136 /nfs/dbraw/zinc/65/51/36/559655136.db2.gz SIQFUMJSKYHBSY-NSHDSACASA-N 0 3 353.220 2.367 20 30 FEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccc(Br)cc1 ZINC000424124171 559655416 /nfs/dbraw/zinc/65/54/16/559655416.db2.gz LZOSPLQEKJJWJS-FZMZJTMJSA-N 0 3 354.248 2.354 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000424181341 559656965 /nfs/dbraw/zinc/65/69/65/559656965.db2.gz CAASGDHHPSJSHH-NEPJUHHUSA-N 0 3 356.195 2.159 20 30 FEEDHN C=CCCn1cc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)nn1 ZINC000424764449 559676037 /nfs/dbraw/zinc/67/60/37/559676037.db2.gz BLGQTUBWMJKTTM-UHFFFAOYSA-N 0 3 354.458 2.248 20 30 FEEDHN C=CCCn1cc(C(=O)N(CCN(C)C)Cc2cccc(OC)c2)nn1 ZINC000424795878 559676866 /nfs/dbraw/zinc/67/68/66/559676866.db2.gz COHRNLMEPQBJNE-UHFFFAOYSA-N 0 3 357.458 2.067 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000425389833 559699598 /nfs/dbraw/zinc/69/95/98/559699598.db2.gz VGJYATHMWPZHHP-VQIMIIECSA-N 0 3 368.481 2.164 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000425489829 559705316 /nfs/dbraw/zinc/70/53/16/559705316.db2.gz YHLUAJSWSNKKLD-GFCCVEGCSA-N 0 3 366.487 2.330 20 30 FEEDHN C=CCn1cc(CNC(=O)NCCN2CCC3(CCCCC3)CC2)nn1 ZINC000425522305 559707551 /nfs/dbraw/zinc/70/75/51/559707551.db2.gz AOTYGJKVEOHZTE-UHFFFAOYSA-N 0 3 360.506 2.310 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)nn1 ZINC000425784994 559719454 /nfs/dbraw/zinc/71/94/54/559719454.db2.gz KWGAXCNHAXATEN-CRAIPNDOSA-N 0 3 356.474 2.263 20 30 FEEDHN C=CCn1cc(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)nn1 ZINC000425879484 559723817 /nfs/dbraw/zinc/72/38/17/559723817.db2.gz QWBURSFQGNZOTP-UHFFFAOYSA-N 0 3 368.485 2.270 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425884968 559723994 /nfs/dbraw/zinc/72/39/94/559723994.db2.gz LBYKWPAEYYSXRA-QFBILLFUSA-N 0 3 370.497 2.458 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)C(C)C ZINC000426026667 559727845 /nfs/dbraw/zinc/72/78/45/559727845.db2.gz BPTQTLKFYURONX-OKZBNKHCSA-N 0 3 362.518 2.138 20 30 FEEDHN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000427707162 559760703 /nfs/dbraw/zinc/76/07/03/559760703.db2.gz PKORDBSTTHQSAW-HNNXBMFYSA-N 0 3 359.474 2.046 20 30 FEEDHN CN(C)CCOc1ccc(CNC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000427913742 559765138 /nfs/dbraw/zinc/76/51/38/559765138.db2.gz OVVRBYWEYPVJRF-UHFFFAOYSA-N 0 3 358.829 2.477 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000428591682 559779262 /nfs/dbraw/zinc/77/92/62/559779262.db2.gz RMRYWNFPIXNQKH-QUCCMNQESA-N 0 3 361.461 2.241 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428771195 559782986 /nfs/dbraw/zinc/78/29/86/559782986.db2.gz HMESZXYBEGVBMY-LAUBAEHRSA-N 0 3 356.466 2.392 20 30 FEEDHN CN(C)Cc1ccc(S(=O)(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000432943655 559868362 /nfs/dbraw/zinc/86/83/62/559868362.db2.gz IYURARRVSGFYBH-UHFFFAOYSA-N 0 3 358.467 2.248 20 30 FEEDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433321260 559876895 /nfs/dbraw/zinc/87/68/95/559876895.db2.gz XFBAWYYBASVOOY-QXAKKESOSA-N 0 3 371.481 2.149 20 30 FEEDHN CCN(CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)C(C)C ZINC000433348059 559877794 /nfs/dbraw/zinc/87/77/94/559877794.db2.gz RPPREVAHMOWCOR-UHFFFAOYSA-N 0 3 374.304 2.329 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)N1CCC[C@H](C)C1 ZINC000440058334 560003963 /nfs/dbraw/zinc/00/39/63/560003963.db2.gz CGBCTRIKYWLSJQ-UONOGXRCSA-N 0 3 353.463 2.237 20 30 FEEDHN CN(CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1CC1 ZINC000446634348 560148846 /nfs/dbraw/zinc/14/88/46/560148846.db2.gz LHZGIFIUPGFIPA-UHFFFAOYSA-N 0 3 357.458 2.037 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ncnn1CC ZINC000447311736 560160110 /nfs/dbraw/zinc/16/01/10/560160110.db2.gz IINSCKJBTBIXFJ-UHFFFAOYSA-N 0 3 361.519 2.396 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000448677063 560193668 /nfs/dbraw/zinc/19/36/68/560193668.db2.gz KZHMCXGXYOYBOI-AQNXPRMDSA-N 0 3 357.498 2.073 20 30 FEEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn2c1OCCC2 ZINC000448817974 560200830 /nfs/dbraw/zinc/20/08/30/560200830.db2.gz ZQJKHDOBDIUYJX-UHFFFAOYSA-N 0 3 367.453 2.050 20 30 FEEDHN N#Cc1ccc(OCC(=O)N[C@@H]2CCN(C3CC3)C2)cc1Br ZINC000449807175 560240737 /nfs/dbraw/zinc/24/07/37/560240737.db2.gz UYJYWQKZKGFNNF-GFCCVEGCSA-N 0 3 364.243 2.052 20 30 FEEDHN C[C@@H](Oc1ccccn1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000449809573 560240802 /nfs/dbraw/zinc/24/08/02/560240802.db2.gz HMYCXAIBMZMQFA-MRXNPFEDSA-N 0 3 352.438 2.311 20 30 FEEDHN COCCCN(C)CCNC(=O)c1cccc(C#N)c1Br ZINC000449944567 560246058 /nfs/dbraw/zinc/24/60/58/560246058.db2.gz JKBQHRPPTHVTAI-UHFFFAOYSA-N 0 3 354.248 2.019 20 30 FEEDHN N#CCC1(CS(=O)(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000451046684 560284494 /nfs/dbraw/zinc/28/44/94/560284494.db2.gz PVDKBSGXGRGHPK-UHFFFAOYSA-N 0 3 361.511 2.307 20 30 FEEDHN N#CCCn1cc(CNCCN2C[C@H]3CC[C@@H](C2)O3)c(-c2ccccc2)n1 ZINC000451223691 560294188 /nfs/dbraw/zinc/29/41/88/560294188.db2.gz VZUYSVSYIYTAJL-BGYRXZFFSA-N 0 3 365.481 2.417 20 30 FEEDHN CN(CC1CCN(c2ccncc2)CC1)S(=O)(=O)CC(C)(C)CC#N ZINC000451366143 560302870 /nfs/dbraw/zinc/30/28/70/560302870.db2.gz XZBPSMQJHCYIRZ-UHFFFAOYSA-N 0 3 364.515 2.499 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453449485 560386896 /nfs/dbraw/zinc/38/68/96/560386896.db2.gz QBJOBDYJGHAYFI-INIZCTEOSA-N 0 3 362.522 2.301 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCN1C ZINC000453666047 560394928 /nfs/dbraw/zinc/39/49/28/560394928.db2.gz WBQBKQTZPVOVHB-CZUORRHYSA-N 0 3 372.469 2.273 20 30 FEEDHN CN(CCCN1CCN(C)CC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455591475 560488433 /nfs/dbraw/zinc/48/84/33/560488433.db2.gz UHKIGRQVZDDJET-UHFFFAOYSA-N 0 3 356.514 2.223 20 30 FEEDHN CCN1CCN([C@@H](C)CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455632603 560489965 /nfs/dbraw/zinc/48/99/65/560489965.db2.gz BODJCBKVCUOXCA-KRWDZBQOSA-N 0 3 356.514 2.269 20 30 FEEDHN COCCCN1CCC(NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455802157 560495140 /nfs/dbraw/zinc/49/51/40/560495140.db2.gz ZRFNFBCVXUAHJF-UHFFFAOYSA-N 0 3 351.838 2.229 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1 ZINC000455957511 560502054 /nfs/dbraw/zinc/50/20/54/560502054.db2.gz QNTJLHOKRJUXOS-KRWDZBQOSA-N 0 3 359.474 2.081 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)NCC(C)(C)CC#N)cc2)CC1 ZINC000457644185 560579522 /nfs/dbraw/zinc/57/95/22/560579522.db2.gz GTVPPZPZBWSYMF-UHFFFAOYSA-N 0 3 357.502 2.173 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CO)c2ccc(OC)cc2)CC1 ZINC000458329570 560615141 /nfs/dbraw/zinc/61/51/41/560615141.db2.gz YPKJIQDVYOOXGI-QGZVFWFLSA-N 0 3 361.486 2.111 20 30 FEEDHN C=CC[C@@H](CO)CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458878922 560653704 /nfs/dbraw/zinc/65/37/04/560653704.db2.gz BULUXJIBPGSLNL-RHSMWYFYSA-N 0 3 351.516 2.495 20 30 FEEDHN CCCN(CCN1CCN(CC)CC1)C(=O)NCCc1cccc(C#N)c1 ZINC000460770222 560751534 /nfs/dbraw/zinc/75/15/34/560751534.db2.gz QDCQOEFXPBPMRF-UHFFFAOYSA-N 0 3 371.529 2.160 20 30 FEEDHN COC(=O)C1CCN(CCCNC(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000461903716 560787292 /nfs/dbraw/zinc/78/72/92/560787292.db2.gz QBZJRXXITRJXJG-OAHLLOKOSA-N 0 3 357.454 2.053 20 30 FEEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000461957859 560789744 /nfs/dbraw/zinc/78/97/44/560789744.db2.gz LLCJFWBOONDNTH-PMACEKPBSA-N 0 3 369.513 2.186 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000463665066 560820770 /nfs/dbraw/zinc/82/07/70/560820770.db2.gz LWWFMDYDGNMDFJ-UHFFFAOYSA-N 0 3 363.483 2.206 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2nc([C@H](C)OCC)no2)CC1 ZINC000465860181 560874242 /nfs/dbraw/zinc/87/42/42/560874242.db2.gz NARQSBWEABTCFV-AWEZNQCLSA-N 0 3 365.478 2.349 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(=O)Nc2ccc(F)cc2)cc1 ZINC000470885747 560992936 /nfs/dbraw/zinc/99/29/36/560992936.db2.gz GRNISVBCVZDKTI-HNNXBMFYSA-N 0 3 350.353 2.135 20 30 FEEDHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470944797 560994861 /nfs/dbraw/zinc/99/48/61/560994861.db2.gz LAWSKNGUAKFLCW-GUDVDZBRSA-N 0 3 366.465 2.440 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000471634017 561009176 /nfs/dbraw/zinc/00/91/76/561009176.db2.gz IFRGDJFPHVVTQX-INIZCTEOSA-N 0 3 363.377 2.377 20 30 FEEDHN CN(C)CC[C@@](C)(O)CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000473276189 561046197 /nfs/dbraw/zinc/04/61/97/561046197.db2.gz SWPQATOXNSVOBJ-HXUWFJFHSA-N 0 3 371.437 2.163 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CC[C@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502653 562332868 /nfs/dbraw/zinc/33/28/68/562332868.db2.gz JZSHEZPMCWWQLS-SJORKVTESA-N 0 3 356.470 2.190 20 30 FEEDHN C[C@H](O)C[C@H]1CCCCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504057 562332932 /nfs/dbraw/zinc/33/29/32/562332932.db2.gz GNJMKTBULBMAQQ-DLBZAZTESA-N 0 3 354.450 2.302 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000530627742 562418375 /nfs/dbraw/zinc/41/83/75/562418375.db2.gz SDZHSYXJHCJCLP-PXNSSMCTSA-N 0 3 355.482 2.453 20 30 FEEDHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000531044498 562432793 /nfs/dbraw/zinc/43/27/93/562432793.db2.gz VZPCFZPTKAALHS-AWEZNQCLSA-N 0 3 360.483 2.089 20 30 FEEDHN N#Cc1csc(CNC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000531117500 562435258 /nfs/dbraw/zinc/43/52/58/562435258.db2.gz VPGODOURGZTNLR-CQSZACIVSA-N 0 3 357.435 2.034 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(CO)CCOCC1 ZINC000532963576 562493949 /nfs/dbraw/zinc/49/39/49/562493949.db2.gz CETGLWPUKCOBBL-CQSZACIVSA-N 0 3 363.483 2.150 20 30 FEEDHN CN(CCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccncc1 ZINC000540928850 562597393 /nfs/dbraw/zinc/59/73/93/562597393.db2.gz BUGGVQGYNYJVSG-FQEVSTJZSA-N 0 3 363.465 2.317 20 30 FEEDHN C[C@@H](Nc1cnn(C2CCN(C)CC2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000601937153 567880824 /nfs/dbraw/zinc/88/08/24/567880824.db2.gz VIFZYLFIBFVLRF-OAHLLOKOSA-N 0 3 358.490 2.293 20 30 FEEDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602572248 567996203 /nfs/dbraw/zinc/99/62/03/567996203.db2.gz DJLCZWXEMYWCRJ-OPYAIIAOSA-N 0 3 353.466 2.170 20 30 FEEDHN COc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccc1OCC(N)=O ZINC000568334124 568025993 /nfs/dbraw/zinc/02/59/93/568025993.db2.gz POMARACQWCDCGM-QGZVFWFLSA-N 0 3 351.406 2.208 20 30 FEEDHN CN(C)Cc1cccc(CNCCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000568382296 568035472 /nfs/dbraw/zinc/03/54/72/568035472.db2.gz XBNCLNBXNBLPLU-UHFFFAOYSA-N 0 3 357.479 2.183 20 30 FEEDHN N#CC1(CCCn2cc(COc3ccccc3CN)nn2)CCOCC1 ZINC000603232767 568075615 /nfs/dbraw/zinc/07/56/15/568075615.db2.gz IRSFDSSWRHVNPK-UHFFFAOYSA-N 0 3 355.442 2.416 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521756 568308245 /nfs/dbraw/zinc/30/82/45/568308245.db2.gz XPWPPPIPNRSYAC-SZMVWBNQSA-N 0 3 359.470 2.486 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)CC1 ZINC000569810404 568426709 /nfs/dbraw/zinc/42/67/09/568426709.db2.gz YBAWKWATROFJPY-QHAWAJNXSA-N 0 3 366.509 2.289 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000557853556 674471412 /nfs/dbraw/zinc/47/14/12/674471412.db2.gz AKWDAKMMWSOZJA-BLLLJJGKSA-N 0 3 353.875 2.459 20 30 FEEDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1C#N ZINC000821586195 607114131 /nfs/dbraw/zinc/11/41/31/607114131.db2.gz NKKUXJFHAKZTKT-UHFFFAOYSA-N 0 3 365.416 2.446 20 30 FEEDHN Cc1ccnc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826309465 609575499 /nfs/dbraw/zinc/57/54/99/609575499.db2.gz QAHMZASIOIPPSC-UHFFFAOYSA-N 0 3 362.441 2.010 20 30 FEEDHN Cc1ccnc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000826309465 609575501 /nfs/dbraw/zinc/57/55/01/609575501.db2.gz QAHMZASIOIPPSC-UHFFFAOYSA-N 0 3 362.441 2.010 20 30 FEEDHN N#CC(C(=O)CCc1nc(-c2ccsc2)no1)C(=O)NC1CCCC1 ZINC000051651841 670302154 /nfs/dbraw/zinc/30/21/54/670302154.db2.gz GNLNEWPAXFYOHE-CYBMUJFWSA-N 0 3 358.423 2.498 20 30 FEEDHN Cc1nc(CON=C(N)c2ccccc2CN2CCC(O)CC2)cs1 ZINC000068776738 670475726 /nfs/dbraw/zinc/47/57/26/670475726.db2.gz BZEWKKPDVLSRFZ-UHFFFAOYSA-N 0 3 360.483 2.245 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000817533704 675143174 /nfs/dbraw/zinc/14/31/74/675143174.db2.gz SFPFICSNXYAIRK-MRXNPFEDSA-N 0 3 351.491 2.446 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1 ZINC000112259986 670869464 /nfs/dbraw/zinc/86/94/64/670869464.db2.gz JZAIJXKMLUYNJD-UHFFFAOYSA-N 0 3 362.495 2.294 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(S(=O)(=O)C3CC3)cc2)CC1 ZINC000574956858 671288858 /nfs/dbraw/zinc/28/88/58/671288858.db2.gz OUBJTBYLPJLDMC-UHFFFAOYSA-N 0 3 362.495 2.393 20 30 FEEDHN N#CC1(CS(=O)(=O)NC2CCN(CCc3ccccc3)CC2)CCC1 ZINC000576863048 671400264 /nfs/dbraw/zinc/40/02/64/671400264.db2.gz FQKRNGPBQZEYON-UHFFFAOYSA-N 0 3 361.511 2.307 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCSC3(CCC3)CC2)CC1 ZINC000577349157 671589526 /nfs/dbraw/zinc/58/95/26/671589526.db2.gz NAOPVRSGOGZZGS-QGZVFWFLSA-N 0 3 364.559 2.040 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000124990577 672004891 /nfs/dbraw/zinc/00/48/91/672004891.db2.gz QWTHBTBJXZMMPG-OCCSQVGLSA-N 0 3 352.818 2.277 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000125171644 672007967 /nfs/dbraw/zinc/00/79/67/672007967.db2.gz WLKSRYMKEIXACC-TZMCWYRMSA-N 0 3 352.818 2.277 20 30 FEEDHN CNC(=O)C(C#N)C(=O)CSCc1ccc(Br)cc1F ZINC000127674580 672040232 /nfs/dbraw/zinc/04/02/32/672040232.db2.gz ODZOYUZLLPVTQO-SNVBAGLBSA-N 0 3 359.220 2.276 20 30 FEEDHN CC[C@@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1 ZINC000583170236 672069767 /nfs/dbraw/zinc/06/97/67/672069767.db2.gz QFXGQEJZLWYBQD-QZTJIDSGSA-N 0 3 364.515 2.260 20 30 FEEDHN CN(C)[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000610497410 675975921 /nfs/dbraw/zinc/97/59/21/675975921.db2.gz ZXVJHUDNFYYFGJ-LJQANCHMSA-N 0 3 357.479 2.224 20 30 FEEDHN N#Cc1cc(Br)cnc1NC1CCN([C@H]2CCOC2)CC1 ZINC000590694358 672603088 /nfs/dbraw/zinc/60/30/88/672603088.db2.gz DKZBHMJTYSJHSZ-AWEZNQCLSA-N 0 3 351.248 2.381 20 30 FEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000193611113 672730855 /nfs/dbraw/zinc/73/08/55/672730855.db2.gz CZNXJIUGXXOFDU-GXTWGEPZSA-N 0 3 359.392 2.418 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000594448048 673073536 /nfs/dbraw/zinc/07/35/36/673073536.db2.gz ZJGANPWSBYCFCG-CQSZACIVSA-N 0 3 361.833 2.460 20 30 FEEDHN C=CC[C@@H]1CCCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000594821068 673152606 /nfs/dbraw/zinc/15/26/06/673152606.db2.gz GIAWVMZFIWEADJ-VXGBXAGGSA-N 0 3 357.394 2.488 20 30 FEEDHN COC(=O)N(C)CCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000729889002 673251858 /nfs/dbraw/zinc/25/18/58/673251858.db2.gz LKGMQQLUMGOPFE-NSHDSACASA-N 0 3 351.790 2.466 20 30 FEEDHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538218481 673427462 /nfs/dbraw/zinc/42/74/62/673427462.db2.gz ZKGFXUDUMIDICE-ZFWWWQNUSA-N 0 3 353.463 2.079 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc2cncn21 ZINC000733888822 673442669 /nfs/dbraw/zinc/44/26/69/673442669.db2.gz GCXQELATYBKDDA-UHFFFAOYSA-N 0 3 353.451 2.471 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(SC)cc1 ZINC000741110510 673670988 /nfs/dbraw/zinc/67/09/88/673670988.db2.gz FPFZPVHSFGFOGS-IUODEOHRSA-N 0 3 350.440 2.037 20 30 FEEDHN N#CC1(C[C@H](O)CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000600754815 673796671 /nfs/dbraw/zinc/79/66/71/673796671.db2.gz CHTAXMCQMDDUAH-GXTWGEPZSA-N 0 3 351.809 2.229 20 30 FEEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600763376 673797279 /nfs/dbraw/zinc/79/72/79/673797279.db2.gz VBRLKWVWDFFPHB-GXTWGEPZSA-N 0 3 353.825 2.475 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(O[C@H]3CCOC3)CC2)CC1 ZINC000567008534 675259792 /nfs/dbraw/zinc/25/97/92/675259792.db2.gz LJLRMQUYARDAMF-SFHVURJKSA-N 0 3 351.491 2.006 20 30 FEEDHN CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCCN(C)C1 ZINC000819313669 675280493 /nfs/dbraw/zinc/28/04/93/675280493.db2.gz JKNLTSCNTCPMME-HUUCEWRRSA-N 0 3 352.479 2.126 20 30 FEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619828603 676396547 /nfs/dbraw/zinc/39/65/47/676396547.db2.gz WDZMTUHCOORLCL-MRXNPFEDSA-N 0 3 364.877 2.464 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000636676303 677123903 /nfs/dbraw/zinc/12/39/03/677123903.db2.gz GLQIEEUUVZUPBI-KRWDZBQOSA-N 0 3 361.873 2.210 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000838621858 680706529 /nfs/dbraw/zinc/70/65/29/680706529.db2.gz GUHMPHWOPLGQOF-IBGZPJMESA-N 0 3 363.889 2.296 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCN(CC)C1=O ZINC000657237877 677987013 /nfs/dbraw/zinc/98/70/13/677987013.db2.gz JLZSSJOMPGOQEA-HNNXBMFYSA-N 0 3 363.531 2.205 20 30 FEEDHN CN(CCNC(=O)OC(C)(C)C)CCC(=O)Nc1sccc1C#N ZINC000839133828 680740447 /nfs/dbraw/zinc/74/04/47/680740447.db2.gz CKYZZELBVSQFHR-UHFFFAOYSA-N 0 3 352.460 2.405 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](Cn2ccnn2)C1 ZINC000661142566 678440660 /nfs/dbraw/zinc/44/06/60/678440660.db2.gz WXJFSSHACCDCRF-JKSUJKDBSA-N 0 3 359.499 2.265 20 30 FEEDHN C[C@@H]1CN(C(=S)Nc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000763297471 680778904 /nfs/dbraw/zinc/77/89/04/680778904.db2.gz AZMCOPKFSNJAHX-QAPCUYQASA-N 0 3 357.527 2.213 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662449114 678622504 /nfs/dbraw/zinc/62/25/04/678622504.db2.gz VKZHVLIAJWOJEO-OAHLLOKOSA-N 0 3 352.276 2.216 20 30 FEEDHN CS[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C[C@@H]1N(C)C ZINC000765273088 680838036 /nfs/dbraw/zinc/83/80/36/680838036.db2.gz WKGFMOYLDQSVHN-GJZGRUSLSA-N 0 3 358.467 2.368 20 30 FEEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCC[C@@H]1C(=O)NC ZINC000765794104 680855454 /nfs/dbraw/zinc/85/54/54/680855454.db2.gz AILGZXIRLXFXMB-GJZGRUSLSA-N 0 3 365.271 2.465 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(CCC[C@H]2CCOC2)CC1 ZINC000981189663 680219625 /nfs/dbraw/zinc/21/96/25/680219625.db2.gz BEFIIQLKUXHYIF-OTWHNJEPSA-N 0 3 350.503 2.319 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000981994921 680261236 /nfs/dbraw/zinc/26/12/36/680261236.db2.gz WCLXDSRIHIJOGJ-QRVBRYPASA-N 0 3 350.503 2.053 20 30 FEEDHN N#CC(C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000835341080 680321315 /nfs/dbraw/zinc/32/13/15/680321315.db2.gz SDVLVNSQEBAJFJ-GRYCIOLGSA-N 0 3 355.272 2.118 20 30 FEEDHN CCN(CC)S(=O)(=O)c1ccc(N=NC2CN(C(C)C)C[C@H]2C)nc1 ZINC000754257313 680345889 /nfs/dbraw/zinc/34/58/89/680345889.db2.gz HTQOEHVGTGHYNZ-CQSZACIVSA-N 0 3 367.519 2.240 20 30 FEEDHN C=C(Br)CNC1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001026565082 680347241 /nfs/dbraw/zinc/34/72/41/680347241.db2.gz UNJCKIIPZRKPJG-ODGNXRKOSA-N 0 3 357.292 2.480 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000836379761 680460755 /nfs/dbraw/zinc/46/07/55/680460755.db2.gz QUCYXHSGHOJNMC-CQSZACIVSA-N 0 3 366.868 2.312 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000836381472 680461008 /nfs/dbraw/zinc/46/10/08/680461008.db2.gz FCAPBUYOHZBQTG-UHFFFAOYSA-N 0 3 351.491 2.141 20 30 FEEDHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043585114 680589585 /nfs/dbraw/zinc/58/95/85/680589585.db2.gz NAIXUIAMXRBBKE-ZWNOBZJWSA-N 0 3 367.906 2.411 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844360524 681053901 /nfs/dbraw/zinc/05/39/01/681053901.db2.gz QSVHPPMVJARHAR-DOXZYTNZSA-N 0 3 351.491 2.304 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000844965823 681095499 /nfs/dbraw/zinc/09/54/99/681095499.db2.gz VODRLWHVBRDSTR-UHFFFAOYSA-N 0 3 350.365 2.012 20 30 FEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000845442660 681127990 /nfs/dbraw/zinc/12/79/90/681127990.db2.gz OHPGMZXKQWLYTP-AAEUAGOBSA-N 0 3 363.211 2.303 20 30 FEEDHN CCOC(=O)[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000932644629 681275710 /nfs/dbraw/zinc/27/57/10/681275710.db2.gz LETZGSGVEIQYOW-CHWSQXEVSA-N 0 3 357.435 2.358 20 30 FEEDHN Cc1nc(CC(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cs1 ZINC000916964922 685528729 /nfs/dbraw/zinc/52/87/29/685528729.db2.gz CMQSVRGQTYRPGK-CYBMUJFWSA-N 0 3 357.391 2.113 20 30 FEEDHN CC[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)CCO1 ZINC000786558711 682385638 /nfs/dbraw/zinc/38/56/38/682385638.db2.gz RAAWIMLCZFLIRB-NILFDRSVSA-N 0 3 350.365 2.495 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2nc(Cl)sc2Cl)c1C#N ZINC000856826016 682816834 /nfs/dbraw/zinc/81/68/34/682816834.db2.gz PSNPKKRYUPVHLC-UHFFFAOYSA-N 0 3 359.242 2.449 20 30 FEEDHN C#CCN(C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)O1)C1CCN(C)CC1 ZINC000926402607 683120816 /nfs/dbraw/zinc/12/08/16/683120816.db2.gz JSNRGBYQLZCPOX-CABCVRRESA-N 0 3 361.408 2.225 20 30 FEEDHN Cc1nnc(COCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000796800391 683196706 /nfs/dbraw/zinc/19/67/06/683196706.db2.gz TZHGXXIHPWEZHV-JTQLQIEISA-N 0 3 364.814 2.364 20 30 FEEDHN CCCCCCCS(=O)(=O)N[C@@H]1C[C@@]2(CN(C)[C@@H]2C(C)C)C[C@H]1O ZINC000920274163 683328242 /nfs/dbraw/zinc/32/82/42/683328242.db2.gz MMXZJJLTAMFUSO-TVFCKZIOSA-N 0 3 360.564 2.356 20 30 FEEDHN C#CCC[C@H](O)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000799212322 683436564 /nfs/dbraw/zinc/43/65/64/683436564.db2.gz XGHXELBGXQNLEW-SFHVURJKSA-N 0 3 361.511 2.174 20 30 FEEDHN C#CCN(C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)C1CCN(C)CC1 ZINC000921701966 683548894 /nfs/dbraw/zinc/54/88/94/683548894.db2.gz VOUSIHWCUGKPAK-OWCLPIDISA-N 0 3 353.557 2.105 20 30 FEEDHN N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000866994069 684193217 /nfs/dbraw/zinc/19/32/17/684193217.db2.gz OCFLDBIUJSZOPU-KDOFPFPSSA-N 0 3 363.458 2.335 20 30 FEEDHN C#CCN(C(=O)NCc1cnccc1C(F)(F)F)C1CCN(C)CC1 ZINC000923363826 684269247 /nfs/dbraw/zinc/26/92/47/684269247.db2.gz ZIOIHGKUSQHKKM-UHFFFAOYSA-N 0 3 354.376 2.339 20 30 FEEDHN CSC1([C@H](C#N)N(C)S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000872009327 684914019 /nfs/dbraw/zinc/91/40/19/684914019.db2.gz KRKAPENEYKVZGS-HNNXBMFYSA-N 0 3 353.513 2.156 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000876568211 686221309 /nfs/dbraw/zinc/22/13/09/686221309.db2.gz VVKASCHNSYEAFQ-TZMCWYRMSA-N 0 3 351.834 2.004 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000876568209 686221473 /nfs/dbraw/zinc/22/14/73/686221473.db2.gz VVKASCHNSYEAFQ-OCCSQVGLSA-N 0 3 351.834 2.004 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000876581363 686223765 /nfs/dbraw/zinc/22/37/65/686223765.db2.gz HMJRBURKKWXDTI-HNNXBMFYSA-N 0 3 353.825 2.016 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(=O)NCCCOCC)c1 ZINC000876588319 686225191 /nfs/dbraw/zinc/22/51/91/686225191.db2.gz DZGJPLADLTYCEA-OAHLLOKOSA-N 0 3 353.850 2.251 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000876611277 686228586 /nfs/dbraw/zinc/22/85/86/686228586.db2.gz BSIQYMNDLQGNGW-HNNXBMFYSA-N 0 3 350.850 2.400 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000876628475 686231666 /nfs/dbraw/zinc/23/16/66/686231666.db2.gz JYPMKWXLPGDFHB-HNNXBMFYSA-N 0 3 369.918 2.115 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000876691799 686244299 /nfs/dbraw/zinc/24/42/99/686244299.db2.gz QLPWIIVAIUGSRD-HNNXBMFYSA-N 0 3 351.834 2.004 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000876716972 686252307 /nfs/dbraw/zinc/25/23/07/686252307.db2.gz RTUUHYGDZRPJGL-WZRBSPASSA-N 0 3 358.895 2.161 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877194328 686338508 /nfs/dbraw/zinc/33/85/08/686338508.db2.gz IGGFKHVZEUIGAP-KGLIPLIRSA-N 0 3 358.504 2.013 20 30 FEEDHN CC1(N2CCC2)CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000882768816 687479655 /nfs/dbraw/zinc/47/96/55/687479655.db2.gz UEJMJYMCOMQVPH-UHFFFAOYSA-N 0 3 351.447 2.087 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883096604 687563470 /nfs/dbraw/zinc/56/34/70/687563470.db2.gz MAEWWFSYGZNHJO-ZANVPECISA-N 0 3 364.247 2.320 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1cc(F)ccc1Br)C2 ZINC000884069856 687783032 /nfs/dbraw/zinc/78/30/32/687783032.db2.gz QVGCUPYMIPZPSP-BGMSHATGSA-N 0 3 366.234 2.344 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1c(F)cccc1OC(F)F)C2 ZINC000884168470 687806982 /nfs/dbraw/zinc/80/69/82/687806982.db2.gz GJNLVWJGBXEFDN-VVHFOWEKSA-N 0 3 353.344 2.183 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCO[C@@H](c3cccc(Cl)c3)C1)C2 ZINC000884316400 687845578 /nfs/dbraw/zinc/84/55/78/687845578.db2.gz RGHFIXXKWMCGMW-HLCARVAJSA-N 0 3 359.857 2.379 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(OC(F)F)cc1F)C2 ZINC000884468628 687876676 /nfs/dbraw/zinc/87/66/76/687876676.db2.gz IMTNFNSIXPTFIH-JKGQDXBKSA-N 0 3 353.344 2.183 20 30 FEEDHN C#CCN(C(=O)c1nn(C(C)C)cc1Br)C1CCN(C)CC1 ZINC000886572244 688278349 /nfs/dbraw/zinc/27/83/49/688278349.db2.gz DOEOMJDDYAHWRJ-UHFFFAOYSA-N 0 3 367.291 2.396 20 30 FEEDHN C#CCN(C(=O)c1cncc(Br)c1C)C1CCN(C)CC1 ZINC000886573663 688278418 /nfs/dbraw/zinc/27/84/18/688278418.db2.gz QQPALQXCGGOJHP-UHFFFAOYSA-N 0 3 350.260 2.322 20 30 FEEDHN C#CCN(C(=O)c1cc(Br)c(C)[nH]c1=O)C1CCN(C)CC1 ZINC000886578924 688279461 /nfs/dbraw/zinc/27/94/61/688279461.db2.gz RIVDOPWDNULHCM-UHFFFAOYSA-N 0 3 366.259 2.028 20 30 FEEDHN C#CCN(C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886581145 688279598 /nfs/dbraw/zinc/27/95/98/688279598.db2.gz LBVCAMZZZWBOSO-OAHLLOKOSA-N 0 3 351.491 2.045 20 30 FEEDHN C#CCN(C(=O)CCc1nc(-c2ccsc2)no1)C1CCN(C)CC1 ZINC000886587450 688280258 /nfs/dbraw/zinc/28/02/58/688280258.db2.gz WZDZZIIJYRHNLA-UHFFFAOYSA-N 0 3 358.467 2.287 20 30 FEEDHN COC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCOC1 ZINC000886910123 688339514 /nfs/dbraw/zinc/33/95/14/688339514.db2.gz LRJAKDUCEUENFQ-CJNGLKHVSA-N 0 3 351.834 2.181 20 30 FEEDHN COC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCOC1 ZINC000886910902 688339540 /nfs/dbraw/zinc/33/95/40/688339540.db2.gz XNDVJNPEIRXLHG-CZUORRHYSA-N 0 3 351.834 2.181 20 30 FEEDHN COC(=O)[C@H]1[C@@H](CNC2(c3ccc(C#N)cc3)CCOCC2)C1(F)F ZINC000895405576 689710672 /nfs/dbraw/zinc/71/06/72/689710672.db2.gz LKGAKIMQTGFGPP-HUUCEWRRSA-N 0 3 350.365 2.208 20 30 FEEDHN C#CCSCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000896491229 689881123 /nfs/dbraw/zinc/88/11/23/689881123.db2.gz TUEKPQKMWPTBPY-UHFFFAOYSA-N 0 3 350.459 2.152 20 30 FEEDHN N#Cc1cc(Br)cnc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896521429 689884615 /nfs/dbraw/zinc/88/46/15/689884615.db2.gz DKISSSBVTYFIFH-AWEZNQCLSA-N 0 3 351.248 2.381 20 30 FEEDHN N#Cc1ccc(NC(=S)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1Cl ZINC000899663762 690401569 /nfs/dbraw/zinc/40/15/69/690401569.db2.gz GCOSOXJMTVHSSY-HZPDHXFCSA-N 0 3 364.902 2.439 20 30 FEEDHN CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cc1 ZINC000903549582 690922004 /nfs/dbraw/zinc/92/20/04/690922004.db2.gz GNJWWIIBMYBPKM-QZTJIDSGSA-N 0 3 355.463 2.391 20 30 FEEDHN C[C@](O)(CNCc1cnn(CC(F)(F)F)c1)C(F)(F)C(F)(F)F ZINC000905167886 691075828 /nfs/dbraw/zinc/07/58/28/691075828.db2.gz WLNLFEASUNMIOH-QMMMGPOBSA-N 0 3 355.229 2.484 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164766558 721069517 /nfs/dbraw/zinc/06/95/17/721069517.db2.gz KUGYLIRIJBNNLI-HZPDHXFCSA-N 0 3 356.861 2.298 20 30 FEEDHN Cc1cc(C#N)c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1C ZINC001164764234 721111624 /nfs/dbraw/zinc/11/16/24/721111624.db2.gz HLRLWWOUKOROGR-HKUYNNGSSA-N 0 3 350.470 2.262 20 30 FEEDHN COc1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164902677 721526882 /nfs/dbraw/zinc/52/68/82/721526882.db2.gz AYTRJPIUEHYCPQ-NVXWUHKLSA-N 0 3 368.412 2.443 20 30 FEEDHN N#CCc1cncc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903037 721549500 /nfs/dbraw/zinc/54/95/00/721549500.db2.gz BVLPVOLUVBLLDF-SJLPKXTDSA-N 0 3 353.401 2.024 20 30 FEEDHN CO[C@@H](C)c1nc(CN2CCCN(CCOCCC#N)CC2)cs1 ZINC000549470668 674043613 /nfs/dbraw/zinc/04/36/13/674043613.db2.gz DLXIDLFPXHATMP-HNNXBMFYSA-N 0 3 352.504 2.288 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)Cc1c(F)ccc(Br)c1F ZINC000800385005 674047946 /nfs/dbraw/zinc/04/79/46/674047946.db2.gz OYQHFHRURNKNKT-VIFPVBQESA-N 0 3 357.154 2.281 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C ZINC000041322306 540017058 /nfs/dbraw/zinc/01/70/58/540017058.db2.gz KZXJNBXDEPHKSJ-AWEZNQCLSA-N 0 3 350.850 2.243 20 30 FEEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1 ZINC000041518902 540023726 /nfs/dbraw/zinc/02/37/26/540023726.db2.gz GURIQELKUPYMOF-ZDUSSCGKSA-N 0 3 361.448 2.264 20 30 FEEDHN Cc1cc(C(C#N)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nc(C)n1 ZINC000049405117 540389615 /nfs/dbraw/zinc/38/96/15/540389615.db2.gz FFLXGGVOKZFZDW-ZDUSSCGKSA-N 0 3 363.337 2.072 20 30 FEEDHN CC(=O)NC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000050992858 540418200 /nfs/dbraw/zinc/41/82/00/540418200.db2.gz YKAAUMOHSRYDJP-UHFFFAOYSA-N 0 3 374.510 2.428 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000057127143 540770671 /nfs/dbraw/zinc/77/06/71/540770671.db2.gz UFHDJSRFHLNQDR-RMKNXTFCSA-N 0 3 351.494 2.189 20 30 FEEDHN C#CCN1CCC(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000057172923 540775619 /nfs/dbraw/zinc/77/56/19/540775619.db2.gz NDUVVASPVMUBRY-UHFFFAOYSA-N 0 3 353.510 2.421 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)CC1 ZINC000057174376 540775698 /nfs/dbraw/zinc/77/56/98/540775698.db2.gz MBYIJVLYPOIEJU-MRXNPFEDSA-N 0 3 355.482 2.176 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540985952 541131572 /nfs/dbraw/zinc/13/15/72/541131572.db2.gz WPMRYOGABFKYSV-ZDUSSCGKSA-N 0 3 356.405 2.346 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000065601407 541247800 /nfs/dbraw/zinc/24/78/00/541247800.db2.gz NMCOCKJTYOFVII-HNNXBMFYSA-N 0 3 372.469 2.132 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000067408827 541459327 /nfs/dbraw/zinc/45/93/27/541459327.db2.gz FCPLHYZKAWZSID-MRXNPFEDSA-N 0 3 361.490 2.329 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)c1 ZINC000067497622 541472681 /nfs/dbraw/zinc/47/26/81/541472681.db2.gz RMYBOOZFWRMARS-INIZCTEOSA-N 0 3 359.470 2.428 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)CC1 ZINC000067859984 541521775 /nfs/dbraw/zinc/52/17/75/541521775.db2.gz RBIVOHRMQIHZQR-UHFFFAOYSA-N 0 3 354.429 2.281 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)CC1 ZINC000067994929 541536740 /nfs/dbraw/zinc/53/67/40/541536740.db2.gz LZRXISQZNWHQOD-QGZVFWFLSA-N 0 3 367.453 2.290 20 30 FEEDHN NC(=NOCC(=O)NCc1ccco1)c1cccc(CN2CCCCC2)c1 ZINC000068877304 541636525 /nfs/dbraw/zinc/63/65/25/541636525.db2.gz VSKBMNTYGWZMCT-UHFFFAOYSA-N 0 3 370.453 2.219 20 30 FEEDHN Cc1nc(SCCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)n[nH]1 ZINC000073107958 541918669 /nfs/dbraw/zinc/91/86/69/541918669.db2.gz DCCHLBSKTMTWLE-UHFFFAOYSA-N 0 3 372.498 2.057 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cncnc2)cc1 ZINC000073411562 541950887 /nfs/dbraw/zinc/95/08/87/541950887.db2.gz UNZAIWIXNGAFAR-KBPBESRZSA-N 0 3 353.426 2.195 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cc(N(C)C)nc3ccccc23)CC1 ZINC000075385747 542175950 /nfs/dbraw/zinc/17/59/50/542175950.db2.gz GCRZEERLXFKJOG-UHFFFAOYSA-N 0 3 350.466 2.262 20 30 FEEDHN C=CCCCN(C)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000076736141 542319425 /nfs/dbraw/zinc/31/94/25/542319425.db2.gz LDZOWJAGYKQVPX-LLVKDONJSA-N 0 3 357.376 2.445 20 30 FEEDHN C=CCOCCCC(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000079894329 542548863 /nfs/dbraw/zinc/54/88/63/542548863.db2.gz GDZGKIDEJPCSTF-KRWDZBQOSA-N 0 3 359.470 2.305 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000080080025 542562826 /nfs/dbraw/zinc/56/28/26/542562826.db2.gz ZOJIZYNSWDDMBU-UHFFFAOYSA-N 0 3 354.454 2.054 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000080079325 542563171 /nfs/dbraw/zinc/56/31/71/542563171.db2.gz FESALGGZZXMGRQ-LJQANCHMSA-N 0 3 355.482 2.253 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCCn2c(C)nnc21)C(C)C ZINC000080077614 542562737 /nfs/dbraw/zinc/56/27/37/542562737.db2.gz FEZKQODXFWXXKO-SJORKVTESA-N 0 3 360.506 2.419 20 30 FEEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C(F)F)cc1 ZINC000802042228 674159434 /nfs/dbraw/zinc/15/94/34/674159434.db2.gz OBZMFDDITMQFHV-RWMBFGLXSA-N 0 3 350.321 2.412 20 30 FEEDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083537891 542698379 /nfs/dbraw/zinc/69/83/79/542698379.db2.gz UGJUZMVLVYMHIQ-LLVKDONJSA-N 0 3 361.389 2.149 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2nnc[nH]2)CC1)C(C)C ZINC000083702184 542700941 /nfs/dbraw/zinc/70/09/41/542700941.db2.gz KGFANQIYOMZGFX-QGZVFWFLSA-N 0 3 360.506 2.392 20 30 FEEDHN C[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CN(C)CCO1 ZINC000091063560 542792306 /nfs/dbraw/zinc/79/23/06/542792306.db2.gz LNGFIWIXQAQRCE-APWZRJJASA-N 0 3 353.470 2.272 20 30 FEEDHN C[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CN(C)CCO1 ZINC000091063561 542792954 /nfs/dbraw/zinc/79/29/54/542792954.db2.gz LNGFIWIXQAQRCE-QFBILLFUSA-N 0 3 353.470 2.272 20 30 FEEDHN C=CCOc1ccc(CN(C)C[C@@H](O)CN2CCOCC2)cc1Cl ZINC000093583013 542935259 /nfs/dbraw/zinc/93/52/59/542935259.db2.gz OGIAGDWHLBCXEO-MRXNPFEDSA-N 0 3 354.878 2.030 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000104714478 543138565 /nfs/dbraw/zinc/13/85/65/543138565.db2.gz BCHFVMBKJLOJPH-UHFFFAOYSA-N 0 3 370.497 2.002 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000106037731 543186123 /nfs/dbraw/zinc/18/61/23/543186123.db2.gz KXEVYFLCEXXQCC-IRXDYDNUSA-N 0 3 372.513 2.466 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000106036930 543186233 /nfs/dbraw/zinc/18/62/33/543186233.db2.gz RWWGGGYPKCZMEK-INIZCTEOSA-N 0 3 371.481 2.205 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2Cn2cncn2)CC1 ZINC000106322748 543223046 /nfs/dbraw/zinc/22/30/46/543223046.db2.gz AIRBBIYZDYDSRR-UHFFFAOYSA-N 0 3 354.458 2.488 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](N2CCCC2=O)C1 ZINC000111696444 543412594 /nfs/dbraw/zinc/41/25/94/543412594.db2.gz OJGUONTZRGRBNT-OALUTQOASA-N 0 3 358.482 2.242 20 30 FEEDHN CCCCN(C)CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000112466464 543447971 /nfs/dbraw/zinc/44/79/71/543447971.db2.gz WZGAGJZEWSZMNB-UHFFFAOYSA-N 0 3 361.465 2.261 20 30 FEEDHN C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)N(C)CCC#N ZINC000112528645 543451045 /nfs/dbraw/zinc/45/10/45/543451045.db2.gz YONCGRWAPIHHHV-UONOGXRCSA-N 0 3 357.458 2.382 20 30 FEEDHN Cc1nc2n(n1)C[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000113333687 543484518 /nfs/dbraw/zinc/48/45/18/543484518.db2.gz TZPSBXOLUVLMTG-SFHVURJKSA-N 0 3 361.453 2.468 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000118100865 543644817 /nfs/dbraw/zinc/64/48/17/543644817.db2.gz ICSFLRSNPMUGLJ-XJKSGUPXSA-N 0 3 374.510 2.476 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)CC1 ZINC000121568594 543696966 /nfs/dbraw/zinc/69/69/66/543696966.db2.gz DGGSCZQWPJOQQW-UHFFFAOYSA-N 0 3 355.360 2.199 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000123338628 543755514 /nfs/dbraw/zinc/75/55/14/543755514.db2.gz VVHVAERAVQJGFY-MRXNPFEDSA-N 0 3 351.447 2.240 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000124733934 543839942 /nfs/dbraw/zinc/83/99/42/543839942.db2.gz LYEXRZAENSINQI-KRWDZBQOSA-N 0 3 358.486 2.448 20 30 FEEDHN COc1cc(CNC2CC(C#N)(c3ccccc3)C2)ccc1OCC(N)=O ZINC000126328948 543930014 /nfs/dbraw/zinc/93/00/14/543930014.db2.gz AZDBFPBOCVHIJK-UHFFFAOYSA-N 0 3 365.433 2.273 20 30 FEEDHN C=CC[C@H](C)[C@@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127777276 544013315 /nfs/dbraw/zinc/01/33/15/544013315.db2.gz UEFLGKSSYRJJKX-DLBZAZTESA-N 0 3 365.543 2.313 20 30 FEEDHN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000128221273 544039926 /nfs/dbraw/zinc/03/99/26/544039926.db2.gz SCMODJZVXYPOCB-GFCCVEGCSA-N 0 3 366.849 2.027 20 30 FEEDHN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000128335339 544047263 /nfs/dbraw/zinc/04/72/63/544047263.db2.gz NQONKFGGQKBBNH-INIZCTEOSA-N 0 3 374.510 2.025 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000129304504 544104623 /nfs/dbraw/zinc/10/46/23/544104623.db2.gz DJQVEGDGZUQFIT-UHFFFAOYSA-N 0 3 358.530 2.453 20 30 FEEDHN COc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1O ZINC000129877281 544130477 /nfs/dbraw/zinc/13/04/77/544130477.db2.gz LOIYVPNRKHZUMW-UHFFFAOYSA-N 0 3 353.422 2.476 20 30 FEEDHN C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000132187834 544222541 /nfs/dbraw/zinc/22/25/41/544222541.db2.gz IVRVRIFINCDUCS-INIZCTEOSA-N 0 3 372.469 2.250 20 30 FEEDHN C#CCOc1cc(F)ccc1NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000137243721 544387593 /nfs/dbraw/zinc/38/75/93/544387593.db2.gz LKBMCUMYXXNHDD-UHFFFAOYSA-N 0 3 357.385 2.425 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c(F)c1 ZINC000151170496 544512578 /nfs/dbraw/zinc/51/25/78/544512578.db2.gz GEWCKLBFOXJABX-HNNXBMFYSA-N 0 3 351.447 2.336 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000152861936 544704466 /nfs/dbraw/zinc/70/44/66/544704466.db2.gz MZFDZRFJFKVREQ-IUODEOHRSA-N 0 3 353.875 2.316 20 30 FEEDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000152862031 544704518 /nfs/dbraw/zinc/70/45/18/544704518.db2.gz MZFDZRFJFKVREQ-DOMZBBRYSA-N 0 3 353.875 2.316 20 30 FEEDHN C[C@H](C(=O)NCCC1=CCCCC1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153265573 544753837 /nfs/dbraw/zinc/75/38/37/544753837.db2.gz UZFYDKVZTBWIGI-CQSZACIVSA-N 0 3 358.490 2.123 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2nnn(C)c2c1 ZINC000183966111 327843901 /nfs/dbraw/zinc/84/39/01/327843901.db2.gz RGWGJNYWBLJPJN-UHFFFAOYSA-N 0 3 362.437 2.044 20 30 FEEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1CC(C)(C)O ZINC000189907113 328175271 /nfs/dbraw/zinc/17/52/71/328175271.db2.gz FQORUBUQLSXFCH-MRXNPFEDSA-N 0 3 367.497 2.236 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)ccc1Cl ZINC000190014137 328182396 /nfs/dbraw/zinc/18/23/96/328182396.db2.gz MREWTDPJFWPSMN-OAHLLOKOSA-N 0 3 360.845 2.237 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000057675381 324830026 /nfs/dbraw/zinc/83/00/26/324830026.db2.gz QPMRDQHFJNTAMW-GOSISDBHSA-N 0 3 364.449 2.094 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)CN3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000077964237 325026871 /nfs/dbraw/zinc/02/68/71/325026871.db2.gz VXHOZZFWJFRYOA-UHFFFAOYSA-N 0 3 366.387 2.321 20 30 FEEDHN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C)CC12CCCCC2 ZINC000080941102 325149380 /nfs/dbraw/zinc/14/93/80/325149380.db2.gz CEFGILNBGBVTIM-UHFFFAOYSA-N 0 3 370.497 2.273 20 30 FEEDHN CNS(=O)(=O)c1cccc([C@@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000090107089 325353830 /nfs/dbraw/zinc/35/38/30/325353830.db2.gz HKXKCZDLTNWYIM-CQSZACIVSA-N 0 3 359.451 2.196 20 30 FEEDHN CCC[NH+]1CCC(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000116361289 326009202 /nfs/dbraw/zinc/00/92/02/326009202.db2.gz VHEKSCBJDOTLEU-UHFFFAOYSA-N 0 3 358.486 2.034 20 30 FEEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000120432891 326258392 /nfs/dbraw/zinc/25/83/92/326258392.db2.gz FDZATUWSABGOFQ-ZDUSSCGKSA-N 0 3 353.875 2.318 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccc1F ZINC000121627088 326353021 /nfs/dbraw/zinc/35/30/21/326353021.db2.gz YIGXVGVUARGFBZ-ACJLOTCBSA-N 0 3 363.458 2.335 20 30 FEEDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000153159399 326725533 /nfs/dbraw/zinc/72/55/33/326725533.db2.gz GZTOAGUXXQWHGX-OAQYLSRUSA-N 0 3 367.449 2.180 20 30 FEEDHN CC(C)(NC[C@H](O)COc1ccc(C#N)cc1)C(=O)NCC1CCCCC1 ZINC000155250465 326782519 /nfs/dbraw/zinc/78/25/19/326782519.db2.gz UEDFHYIJWQCNDY-SFHVURJKSA-N 0 3 373.497 2.363 20 30 FEEDHN COCCN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000171320212 327131816 /nfs/dbraw/zinc/13/18/16/327131816.db2.gz FKUYXVDSBOPNMR-UHFFFAOYSA-N 0 3 356.470 2.343 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1C#N ZINC000173571042 327267264 /nfs/dbraw/zinc/26/72/64/327267264.db2.gz NCTVTCOMQDTUHP-INIZCTEOSA-N 0 3 354.454 2.186 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C ZINC000175068758 327372066 /nfs/dbraw/zinc/37/20/66/327372066.db2.gz RUYRYXWCWZEBIU-DLBZAZTESA-N 0 3 370.497 2.270 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C ZINC000175068758 327372067 /nfs/dbraw/zinc/37/20/67/327372067.db2.gz RUYRYXWCWZEBIU-DLBZAZTESA-N 0 3 370.497 2.270 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000178471755 327586955 /nfs/dbraw/zinc/58/69/55/327586955.db2.gz VNJRMSQZEPKKFW-KRWDZBQOSA-N 0 3 354.454 2.282 20 30 FEEDHN C[C@@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C[C@@H](C)O1 ZINC000264435900 329022869 /nfs/dbraw/zinc/02/28/69/329022869.db2.gz DOECRNYRYGLWSM-ZIAGYGMSSA-N 0 3 359.430 2.187 20 30 FEEDHN C[C@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C[C@H](C)O1 ZINC000264435896 329022963 /nfs/dbraw/zinc/02/29/63/329022963.db2.gz DOECRNYRYGLWSM-KBPBESRZSA-N 0 3 359.430 2.187 20 30 FEEDHN CN(C(=O)/C=C/c1ccc(C#N)cc1)C1CCN(CCn2cccn2)CC1 ZINC000264527174 329032795 /nfs/dbraw/zinc/03/27/95/329032795.db2.gz BHYVZLINBJIITI-BQYQJAHWSA-N 0 3 363.465 2.391 20 30 FEEDHN CN1CCN(C)[C@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000264769140 329058570 /nfs/dbraw/zinc/05/85/70/329058570.db2.gz QPAHRZBHMQMUBI-OAQYLSRUSA-N 0 3 364.493 2.473 20 30 FEEDHN COCCN1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000265998462 329180374 /nfs/dbraw/zinc/18/03/74/329180374.db2.gz RDHPIIVOTDVJDU-GFCCVEGCSA-N 0 3 354.357 2.002 20 30 FEEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271824767 329728366 /nfs/dbraw/zinc/72/83/66/329728366.db2.gz PRRPXGGHYAFCCY-IYCMYEMBSA-N 0 3 358.463 2.386 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCc3ccccc3OC2)c1 ZINC000367217989 330231713 /nfs/dbraw/zinc/23/17/13/330231713.db2.gz DGIOZRVFPKBSSW-QGZVFWFLSA-N 0 3 356.447 2.315 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000156445472 545627527 /nfs/dbraw/zinc/62/75/27/545627527.db2.gz KCRIPQKGOXHFAG-LLVKDONJSA-N 0 3 373.400 2.340 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(n3cncn3)CC2)c(OC)c1 ZINC000156647348 545641747 /nfs/dbraw/zinc/64/17/47/545641747.db2.gz SAIFOAKPCSAWSQ-SFHVURJKSA-N 0 3 372.469 2.092 20 30 FEEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156910111 545677278 /nfs/dbraw/zinc/67/72/78/545677278.db2.gz BRAGIEYZUVNYKX-HNAYVOBHSA-N 0 3 364.511 2.499 20 30 FEEDHN C[C@@H](c1ccncc1)N1CCC(N[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000159929043 545992641 /nfs/dbraw/zinc/99/26/41/545992641.db2.gz DSIIMNAHNOQZPK-YWZLYKJASA-N 0 3 363.465 2.295 20 30 FEEDHN C[C@H](c1ccncc1)N1CCC(N[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000159929458 545992828 /nfs/dbraw/zinc/99/28/28/545992828.db2.gz DSIIMNAHNOQZPK-FOIQADDNSA-N 0 3 363.465 2.295 20 30 FEEDHN C#CCCN1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000162560559 546140304 /nfs/dbraw/zinc/14/03/04/546140304.db2.gz SJXCIIGSEPRKJU-UHFFFAOYSA-N 0 3 353.510 2.456 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC000171699245 546220020 /nfs/dbraw/zinc/22/00/20/546220020.db2.gz KVQMOCBIFUMSHL-IBGZPJMESA-N 0 3 360.502 2.248 20 30 FEEDHN C=CCN1CCC(NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000171705328 546220035 /nfs/dbraw/zinc/22/00/35/546220035.db2.gz CQYDXZIGCMHPJY-UHFFFAOYSA-N 0 3 370.497 2.241 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)CC1 ZINC000171723416 546221400 /nfs/dbraw/zinc/22/14/00/546221400.db2.gz ZLIQTMHKPOBZPH-HXUWFJFHSA-N 0 3 355.482 2.289 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000171721472 546221414 /nfs/dbraw/zinc/22/14/14/546221414.db2.gz QSXNVMMEKOPHMK-HOTGVXAUSA-N 0 3 358.486 2.075 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CC1 ZINC000171724056 546222342 /nfs/dbraw/zinc/22/23/42/546222342.db2.gz NGUZNSYDVOLTHZ-IBGZPJMESA-N 0 3 359.470 2.029 20 30 FEEDHN CN(C)CCOc1ccc(CNC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000173348674 546278683 /nfs/dbraw/zinc/27/86/83/546278683.db2.gz WNRKNAZMJOVFKX-UHFFFAOYSA-N 0 3 356.430 2.059 20 30 FEEDHN C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccn(CCN(C)C)n2)cc1 ZINC000173952048 546288953 /nfs/dbraw/zinc/28/89/53/546288953.db2.gz KJIAHXQTUYFREB-UHFFFAOYSA-N 0 3 371.445 2.396 20 30 FEEDHN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC#N)cc1 ZINC000174045107 546289947 /nfs/dbraw/zinc/28/99/47/546289947.db2.gz OZTHLSUPRDFOCR-PBHICJAKSA-N 0 3 353.426 2.169 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000175587996 546315838 /nfs/dbraw/zinc/31/58/38/546315838.db2.gz PPTHREWAPZSVHM-SFHVURJKSA-N 0 3 355.454 2.102 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(O[C@H]2CCOC2)CC1 ZINC000480306672 561206861 /nfs/dbraw/zinc/20/68/61/561206861.db2.gz KSZMHZBIMMZXMN-QUCCMNQESA-N 0 3 361.482 2.425 20 30 FEEDHN CC[C@](C)(NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(N)=O ZINC000177136375 546553776 /nfs/dbraw/zinc/55/37/76/546553776.db2.gz NBISQELXOYQUJF-SFHVURJKSA-N 0 3 362.499 2.461 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000179689394 546999237 /nfs/dbraw/zinc/99/92/37/546999237.db2.gz QMFKNJOUIOZFFQ-MRXNPFEDSA-N 0 3 357.454 2.048 20 30 FEEDHN C=CCC[C@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000180041875 547043193 /nfs/dbraw/zinc/04/31/93/547043193.db2.gz ZMIXEIUFRLQQNF-IBGZPJMESA-N 0 3 355.482 2.364 20 30 FEEDHN CNC(=O)CC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180186295 547064137 /nfs/dbraw/zinc/06/41/37/547064137.db2.gz DWMPYOWVMTWDEN-UHFFFAOYSA-N 0 3 351.454 2.307 20 30 FEEDHN CS[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)C[C@H]1N1CCCC1 ZINC000483390719 561275544 /nfs/dbraw/zinc/27/55/44/561275544.db2.gz CTYBZYGDWZQPKM-KGLIPLIRSA-N 0 3 350.875 2.258 20 30 FEEDHN CNC(=O)C[C@@H](NCCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000483420430 561276744 /nfs/dbraw/zinc/27/67/44/561276744.db2.gz MTMSMABBCANUTM-QGZVFWFLSA-N 0 3 353.422 2.413 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)N1CCCC1 ZINC000181737371 547370198 /nfs/dbraw/zinc/37/01/98/547370198.db2.gz XOAUGTNUVVLEPT-NVXWUHKLSA-N 0 3 372.469 2.153 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000182621988 547523591 /nfs/dbraw/zinc/52/35/91/547523591.db2.gz NXSJCTAZJPIYRJ-BBWFWOEESA-N 0 3 360.527 2.435 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C3CCCC3)nn2C)CC1 ZINC000183044056 547591127 /nfs/dbraw/zinc/59/11/27/547591127.db2.gz OYTABSIJFXHVTE-UHFFFAOYSA-N 0 3 373.501 2.173 20 30 FEEDHN CC(C)N(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1 ZINC000183167687 547614851 /nfs/dbraw/zinc/61/48/51/547614851.db2.gz XBWLTQQNCACAEA-LJQANCHMSA-N 0 3 358.461 2.407 20 30 FEEDHN CCO[C@@H]1COCC[C@@H]1NCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000484649599 561302387 /nfs/dbraw/zinc/30/23/87/561302387.db2.gz ROTWGCAMKQUSIS-RBUKOAKNSA-N 0 3 359.470 2.334 20 30 FEEDHN CCN(CCO)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000184003602 547753120 /nfs/dbraw/zinc/75/31/20/547753120.db2.gz PMSQELZXBMJSMW-UHFFFAOYSA-N 0 3 367.449 2.181 20 30 FEEDHN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1COc2ccccc21 ZINC000185592155 548006095 /nfs/dbraw/zinc/00/60/95/548006095.db2.gz RDODVBHWPNFSCT-KBXCAEBGSA-N 0 3 356.447 2.486 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000185883361 548052038 /nfs/dbraw/zinc/05/20/38/548052038.db2.gz PDCFCPOQHFJNFQ-PKOBYXMFSA-N 0 3 357.502 2.357 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CC1(N(C)C)CCC1 ZINC000186988114 548235430 /nfs/dbraw/zinc/23/54/30/548235430.db2.gz WMWIDYBQMLAORF-UHFFFAOYSA-N 0 3 368.485 2.093 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ncc(CC)s1)C(C)C ZINC000190318445 548322461 /nfs/dbraw/zinc/32/24/61/548322461.db2.gz PYEBTUIIFHDOFN-OAHLLOKOSA-N 0 3 364.515 2.459 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ncc(C(C)C)s2)CC1 ZINC000190456058 548325553 /nfs/dbraw/zinc/32/55/53/548325553.db2.gz BZLPYUQUUHSJRL-UHFFFAOYSA-N 0 3 350.488 2.362 20 30 FEEDHN C=CCNC(=O)NC(=O)CNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191690353 548349341 /nfs/dbraw/zinc/34/93/41/548349341.db2.gz PMFZFKNPGOTBKQ-UHFFFAOYSA-N 0 3 359.348 2.422 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cn1)C(C)C ZINC000192936317 548376430 /nfs/dbraw/zinc/37/64/30/548376430.db2.gz FZDTXFCKFUNHPE-HNNXBMFYSA-N 0 3 364.877 2.488 20 30 FEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)CNCCOC ZINC000237144068 548803713 /nfs/dbraw/zinc/80/37/13/548803713.db2.gz YVXKFGFEPFLBAB-UHFFFAOYSA-N 0 3 359.239 2.339 20 30 FEEDHN COCCOC[C@@H]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245439817 548920306 /nfs/dbraw/zinc/92/03/06/548920306.db2.gz GAJSIWJJTBCTDK-AGYKMIKPSA-N 0 3 365.518 2.291 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@H]1C ZINC000245848182 549002273 /nfs/dbraw/zinc/00/22/73/549002273.db2.gz LTOBDCYZXBJNGG-JTDSTZFVSA-N 0 3 358.461 2.265 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](O)CSC ZINC000488324733 561387937 /nfs/dbraw/zinc/38/79/37/561387937.db2.gz VNAYCYVZVYQXIB-CQSZACIVSA-N 0 3 356.561 2.309 20 30 FEEDHN C=CCC[C@H](O)CN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000246042414 549040867 /nfs/dbraw/zinc/04/08/67/549040867.db2.gz SBIUOBPXFCJHKZ-MSOLQXFVSA-N 0 3 366.527 2.312 20 30 FEEDHN C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1Cc1ccccc1 ZINC000247705068 549373529 /nfs/dbraw/zinc/37/35/29/549373529.db2.gz YRCYEDCWTWCRNB-LAUBAEHRSA-N 0 3 354.498 2.391 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)NCCOC)c2)CC1 ZINC000489429841 561411181 /nfs/dbraw/zinc/41/11/81/561411181.db2.gz JQRSHEKHLDCKSA-UHFFFAOYSA-N 0 3 374.485 2.225 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)c(OCCOC)c2)CC1 ZINC000264396596 549995120 /nfs/dbraw/zinc/99/51/20/549995120.db2.gz YDTVVRJTVVGDJD-UHFFFAOYSA-N 0 3 363.458 2.492 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000265671719 550013142 /nfs/dbraw/zinc/01/31/42/550013142.db2.gz WPZAUOIDLPEYPD-SFHVURJKSA-N 0 3 355.486 2.193 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000269377743 550188207 /nfs/dbraw/zinc/18/82/07/550188207.db2.gz OKBFZGUTWDAGMR-ZDUSSCGKSA-N 0 3 367.467 2.247 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNCc2ccc(C#N)cc2F)c1 ZINC000269431477 550194994 /nfs/dbraw/zinc/19/49/94/550194994.db2.gz PQBNPNWYPHHRSS-UHFFFAOYSA-N 0 3 354.429 2.279 20 30 FEEDHN COCCCN1CCC(NC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269686311 550216782 /nfs/dbraw/zinc/21/67/82/550216782.db2.gz NQSCDDFHXRMUIK-UHFFFAOYSA-N 0 3 356.470 2.347 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000493836371 561458473 /nfs/dbraw/zinc/45/84/73/561458473.db2.gz POEDATSVLRZJLW-UKRRQHHQSA-N 0 3 363.424 2.229 20 30 FEEDHN N#Cc1csc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000270584426 550286476 /nfs/dbraw/zinc/28/64/76/550286476.db2.gz DFJXEJGOYLMXBI-IAGOWNOFSA-N 0 3 355.463 2.233 20 30 FEEDHN C=CCc1cc(CN(C)C[C@@H](O)COCCOC(C)C)cc(OC)c1O ZINC000271126365 550342664 /nfs/dbraw/zinc/34/26/64/550342664.db2.gz HJDPEILUKJHAFJ-GOSISDBHSA-N 0 3 367.486 2.364 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000494278556 561466283 /nfs/dbraw/zinc/46/62/83/561466283.db2.gz AXOKSKZIICFISA-NHCUHLMSSA-N 0 3 371.525 2.422 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000272329597 550438432 /nfs/dbraw/zinc/43/84/32/550438432.db2.gz KBKAUVKYJAWWGC-JKSUJKDBSA-N 0 3 362.499 2.112 20 30 FEEDHN CC1(C#N)CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000272613908 550460890 /nfs/dbraw/zinc/46/08/90/550460890.db2.gz SSUGRPHJKJOBGO-UHFFFAOYSA-N 0 3 356.470 2.477 20 30 FEEDHN C=C[C@H]1CCCCN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000494863646 561478056 /nfs/dbraw/zinc/47/80/56/561478056.db2.gz DQQHWCHRGVCUTA-SFHVURJKSA-N 0 3 357.502 2.344 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000277582436 550687494 /nfs/dbraw/zinc/68/74/94/550687494.db2.gz OOVUDJBSNZKXLD-IFMALSPDSA-N 0 3 372.484 2.361 20 30 FEEDHN C=CCOc1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1OC ZINC000278415723 550783201 /nfs/dbraw/zinc/78/32/01/550783201.db2.gz FSPMNDUBPLMMPM-INIZCTEOSA-N 0 3 362.470 2.491 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000278600435 550803154 /nfs/dbraw/zinc/80/31/54/550803154.db2.gz IJJUKEXJMVRUNB-INIZCTEOSA-N 0 3 356.470 2.072 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000278630648 550806102 /nfs/dbraw/zinc/80/61/02/550806102.db2.gz KQAWBOWUBQJYCX-VQIMIIECSA-N 0 3 362.470 2.233 20 30 FEEDHN C[C@@H]1CN(CCCNC(=O)/C=C/c2ccc(OCC#N)cc2)CCCO1 ZINC000278682820 550811113 /nfs/dbraw/zinc/81/11/13/550811113.db2.gz ULVJGBFHLYIORE-RCMYXZNBSA-N 0 3 357.454 2.219 20 30 FEEDHN CCCC(=O)NC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279393830 550885143 /nfs/dbraw/zinc/88/51/43/550885143.db2.gz ACVNUPAQRTWNLP-MOPGFXCFSA-N 0 3 366.465 2.395 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCNC(=O)c2cccs2)cc1 ZINC000279393389 550885274 /nfs/dbraw/zinc/88/52/74/550885274.db2.gz UMFPGNDIVWOUKY-MRXNPFEDSA-N 0 3 366.446 2.238 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H]1N(C)C ZINC000279408226 550886810 /nfs/dbraw/zinc/88/68/10/550886810.db2.gz IOTBLPNQVAJINA-RDJZCZTQSA-N 0 3 356.451 2.331 20 30 FEEDHN COc1ccc2c(c1)OC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000279923882 550943425 /nfs/dbraw/zinc/94/34/25/550943425.db2.gz FNBBMJSFRLJOFB-ROUUACIJSA-N 0 3 361.401 2.369 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C[C@H]1N(C)C ZINC000495638764 561490070 /nfs/dbraw/zinc/49/00/70/561490070.db2.gz SSVJFMFXKZHMMV-NXHRZFHOSA-N 0 3 361.511 2.466 20 30 FEEDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280408072 550990566 /nfs/dbraw/zinc/99/05/66/550990566.db2.gz YHWBFFOMVNEBES-GOSISDBHSA-N 0 3 370.497 2.160 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280501627 551000962 /nfs/dbraw/zinc/00/09/62/551000962.db2.gz LBKKEVXRJCFRJQ-KRWDZBQOSA-N 0 3 356.514 2.491 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C1=O ZINC000281351765 551087429 /nfs/dbraw/zinc/08/74/29/551087429.db2.gz MDZNTRUEQCBOAL-LJQANCHMSA-N 0 3 355.482 2.144 20 30 FEEDHN CCC[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CCOC ZINC000281644680 551124938 /nfs/dbraw/zinc/12/49/38/551124938.db2.gz RIGAZHUZNKDLMC-UXHICEINSA-N 0 3 368.481 2.200 20 30 FEEDHN CN1CCN(CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1(C)C ZINC000281656182 551126409 /nfs/dbraw/zinc/12/64/09/551126409.db2.gz CUGFKTIONMJDGG-UHFFFAOYSA-N 0 3 360.506 2.262 20 30 FEEDHN COc1cc(CN[C@@H]2CCN(C(=O)COc3ccccc3)C2)ccc1C#N ZINC000282147102 551186662 /nfs/dbraw/zinc/18/66/62/551186662.db2.gz ADSMVHXXXQTQEF-GOSISDBHSA-N 0 3 365.433 2.336 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c(F)c1 ZINC000283086313 551309502 /nfs/dbraw/zinc/30/95/02/551309502.db2.gz YOSUACGRMOEXCJ-CHWSQXEVSA-N 0 3 363.408 2.121 20 30 FEEDHN C[C@@H](NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1)c1ccc(C#N)cc1 ZINC000283977696 551460771 /nfs/dbraw/zinc/46/07/71/551460771.db2.gz LUZPVFOPGCFDFJ-APWZRJJASA-N 0 3 368.481 2.212 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000284160717 551495113 /nfs/dbraw/zinc/49/51/13/551495113.db2.gz VLMPWOLAPLSJCP-UHFFFAOYSA-N 0 3 369.387 2.088 20 30 FEEDHN Cc1onc(CC(=O)NCC2CCN(Cc3cccs3)CC2)c1C#N ZINC000498514610 561526566 /nfs/dbraw/zinc/52/65/66/561526566.db2.gz GXSUGGXYGGMVRE-UHFFFAOYSA-N 0 3 358.467 2.487 20 30 FEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000284761667 551626883 /nfs/dbraw/zinc/62/68/83/551626883.db2.gz GWNNWTFCTOGHRB-RRMPHLOHSA-N 0 3 366.465 2.445 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000285285772 551732125 /nfs/dbraw/zinc/73/21/25/551732125.db2.gz ZOQWYRCNFRXOTJ-FXAWDEMLSA-N 0 3 370.493 2.401 20 30 FEEDHN CCOc1cccc(/C=N\C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1O ZINC000285457220 551759624 /nfs/dbraw/zinc/75/96/24/551759624.db2.gz QLWBSTYDJIAZCT-PEEGHXIXSA-N 0 3 359.470 2.293 20 30 FEEDHN CC(C)(C#N)CC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285729935 551802201 /nfs/dbraw/zinc/80/22/01/551802201.db2.gz IVHGKHJCVHYMDS-LJQANCHMSA-N 0 3 354.498 2.345 20 30 FEEDHN CN(CCCN1CCN(C)CC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000286155053 551855387 /nfs/dbraw/zinc/85/53/87/551855387.db2.gz WAXVSNTUVISMNQ-UHFFFAOYSA-N 0 3 360.477 2.071 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000286624308 551907582 /nfs/dbraw/zinc/90/75/82/551907582.db2.gz MBRDFFWTZDKZJO-MOPGFXCFSA-N 0 3 355.482 2.206 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000286643524 551909922 /nfs/dbraw/zinc/90/99/22/551909922.db2.gz MZPPKBAJNDAECK-UHFFFAOYSA-N 0 3 363.889 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2c(C)oc3ccccc32)CC1 ZINC000286839513 551932034 /nfs/dbraw/zinc/93/20/34/551932034.db2.gz YCJFJLGWSHKJIP-UHFFFAOYSA-N 0 3 355.438 2.124 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000286887868 551936896 /nfs/dbraw/zinc/93/68/96/551936896.db2.gz DSBZEXFLQYWEHH-FPOVZHCZSA-N 0 3 370.541 2.194 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2nccs2)cc1 ZINC000287000720 551950352 /nfs/dbraw/zinc/95/03/52/551950352.db2.gz BBRQHGQJHOQOJA-NSHDSACASA-N 0 3 364.452 2.493 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@]2(CCCOC2)C1)C(C)C ZINC000287032462 551954112 /nfs/dbraw/zinc/95/41/12/551954112.db2.gz HAXZCXAHXODUOU-UYAOXDASSA-N 0 3 365.518 2.276 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287077561 551960696 /nfs/dbraw/zinc/96/06/96/551960696.db2.gz KKDIIVWNVAHPSY-BLLLJJGKSA-N 0 3 360.845 2.235 20 30 FEEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288997382 552250115 /nfs/dbraw/zinc/25/01/15/552250115.db2.gz LRGYOXUSYLBODA-UHFFFAOYSA-N 0 3 373.501 2.388 20 30 FEEDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000290086647 552425073 /nfs/dbraw/zinc/42/50/73/552425073.db2.gz PGZNCBNDEQNEBG-GFCCVEGCSA-N 0 3 350.850 2.387 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(C)C ZINC000290194501 552441164 /nfs/dbraw/zinc/44/11/64/552441164.db2.gz HCXQOFCSUFBMIF-GOSISDBHSA-N 0 3 372.444 2.451 20 30 FEEDHN CN(CC1CCN(c2ccncc2)CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000501024735 561587942 /nfs/dbraw/zinc/58/79/42/561587942.db2.gz XDNXOJKZVGDUAQ-HXUWFJFHSA-N 0 3 363.465 2.328 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2noc(COCC)n2)CC1 ZINC000291001367 552574567 /nfs/dbraw/zinc/57/45/67/552574567.db2.gz LYPZMDQYGOIOEO-ZDUSSCGKSA-N 0 3 351.451 2.007 20 30 FEEDHN C[C@H](NC(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC000292960789 552775364 /nfs/dbraw/zinc/77/53/64/552775364.db2.gz AKPMVVAFQDRMST-AWEZNQCLSA-N 0 3 365.437 2.137 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OCCC)c(Cl)c1 ZINC000293297458 552808825 /nfs/dbraw/zinc/80/88/25/552808825.db2.gz HIJXQULOMCWIIV-UHFFFAOYSA-N 0 3 365.861 2.139 20 30 FEEDHN C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000293340957 552813049 /nfs/dbraw/zinc/81/30/49/552813049.db2.gz KFXIHOQZTFGZKE-UHFFFAOYSA-N 0 3 372.513 2.486 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cnc(C)s1)C(C)C ZINC000501669668 561603184 /nfs/dbraw/zinc/60/31/84/561603184.db2.gz ZWICVCOCOPOLDQ-CQSZACIVSA-N 0 3 350.488 2.205 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000293933984 552869011 /nfs/dbraw/zinc/86/90/11/552869011.db2.gz IFBSEEHSLGMWPT-QGZVFWFLSA-N 0 3 356.470 2.002 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cccc(CSc2nccn2C)c1 ZINC000293987901 552873143 /nfs/dbraw/zinc/87/31/43/552873143.db2.gz NMXIQGFGLPKXOL-UHFFFAOYSA-N 0 3 356.495 2.397 20 30 FEEDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294243645 552890783 /nfs/dbraw/zinc/89/07/83/552890783.db2.gz PLRYHWPSJUYSFI-SJORKVTESA-N 0 3 351.447 2.086 20 30 FEEDHN COc1cc(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1O ZINC000294733047 552930185 /nfs/dbraw/zinc/93/01/85/552930185.db2.gz NOOKYLMHKBMZCV-UHFFFAOYSA-N 0 3 367.449 2.405 20 30 FEEDHN C[C@H](CCNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCCCC1 ZINC000295214718 552970422 /nfs/dbraw/zinc/97/04/22/552970422.db2.gz XBKIITAUBUSCBX-CQSZACIVSA-N 0 3 353.463 2.381 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H](O)Cc2cccc(F)c2)cc1 ZINC000295636341 553037356 /nfs/dbraw/zinc/03/73/56/553037356.db2.gz SXCIZCQKIXZXMB-IEBWSBKVSA-N 0 3 351.381 2.099 20 30 FEEDHN N#C[C@@]1(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC12CCCC2 ZINC000295721246 553049859 /nfs/dbraw/zinc/04/98/59/553049859.db2.gz UHLPLUINPDKFHO-GHTZIAJQSA-N 0 3 353.466 2.343 20 30 FEEDHN CC[C@H](C)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000296143193 553111448 /nfs/dbraw/zinc/11/14/48/553111448.db2.gz RYPFMAXNUJVJNU-INIZCTEOSA-N 0 3 366.469 2.099 20 30 FEEDHN N#CCc1ccc(OC[C@@H](O)CN2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000296169105 553115909 /nfs/dbraw/zinc/11/59/09/553115909.db2.gz NLBXZNMQKCTNAM-AZUAARDMSA-N 0 3 356.466 2.383 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000296420897 553156987 /nfs/dbraw/zinc/15/69/87/553156987.db2.gz RYOVKJKMCWYUME-INIZCTEOSA-N 0 3 356.470 2.129 20 30 FEEDHN C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000297635674 553318421 /nfs/dbraw/zinc/31/84/21/553318421.db2.gz IHKBMDKOXXELNY-ZIFCJYIRSA-N 0 3 370.497 2.116 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCNC1(C(N)=O)CCCCC1)CCC2 ZINC000298392249 553420060 /nfs/dbraw/zinc/42/00/60/553420060.db2.gz GYCZQONTUUJBPO-UHFFFAOYSA-N 0 3 360.483 2.215 20 30 FEEDHN CN(C)CCOc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000298838129 553479573 /nfs/dbraw/zinc/47/95/73/553479573.db2.gz FLZNJBBTGSGNFA-UHFFFAOYSA-N 0 3 373.478 2.118 20 30 FEEDHN C=CCCc1ccccc1NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000504039400 561652249 /nfs/dbraw/zinc/65/22/49/561652249.db2.gz VRXVKZBLQXKFFG-UHFFFAOYSA-N 0 3 373.497 2.313 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000328665200 553804916 /nfs/dbraw/zinc/80/49/16/553804916.db2.gz CELHGSNDLHTTEJ-IXDOHACOSA-N 0 3 359.470 2.496 20 30 FEEDHN C[C@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)N1CCC[C@@H](C)C1 ZINC000328682416 553806643 /nfs/dbraw/zinc/80/66/43/553806643.db2.gz DAERPMVMWWUKTG-BDXSIMOUSA-N 0 3 367.534 2.178 20 30 FEEDHN Cc1c(C(=O)NCCN2CCN(C)C(C)(C)C2)nnn1CC1CCCC1 ZINC000328691132 553807901 /nfs/dbraw/zinc/80/79/01/553807901.db2.gz DSQRSQWOHKJIPG-UHFFFAOYSA-N 0 3 362.522 2.107 20 30 FEEDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000328698250 553808813 /nfs/dbraw/zinc/80/88/13/553808813.db2.gz HMDOJTJXJUHPNG-SFHVURJKSA-N 0 3 356.470 2.044 20 30 FEEDHN O=C(Cn1nc2ccccn2c1=O)NCCN1CCC2(CCCCC2)CC1 ZINC000328703411 553809557 /nfs/dbraw/zinc/80/95/57/553809557.db2.gz KDKKUAJDNKBUKB-UHFFFAOYSA-N 0 3 371.485 2.499 20 30 FEEDHN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)C2CCN(C3CC3)CC2)no1 ZINC000328739074 553815039 /nfs/dbraw/zinc/81/50/39/553815039.db2.gz HVCSSQVRHOVVIP-HOCLYGCPSA-N 0 3 365.453 2.121 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328810729 553825450 /nfs/dbraw/zinc/82/54/50/553825450.db2.gz DZBBTDBGGKXTSY-CVEARBPZSA-N 0 3 353.532 2.419 20 30 FEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000328823836 553828276 /nfs/dbraw/zinc/82/82/76/553828276.db2.gz RXDNXQYAQBQYEZ-IRXDYDNUSA-N 0 3 353.507 2.292 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000329096807 553879543 /nfs/dbraw/zinc/87/95/43/553879543.db2.gz YGMFFELFNSQLAM-XGAARHLOSA-N 0 3 351.491 2.042 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000329105570 553881727 /nfs/dbraw/zinc/88/17/27/553881727.db2.gz ONABRUAHILTYDD-XLMAVXFVSA-N 0 3 353.507 2.289 20 30 FEEDHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329139270 553887483 /nfs/dbraw/zinc/88/74/83/553887483.db2.gz FFISCIJTRQLVOH-STQMWFEESA-N 0 3 371.528 2.388 20 30 FEEDHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329139270 553887481 /nfs/dbraw/zinc/88/74/81/553887481.db2.gz FFISCIJTRQLVOH-STQMWFEESA-N 0 3 371.528 2.388 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000329182013 553897345 /nfs/dbraw/zinc/89/73/45/553897345.db2.gz NRAFZGDDOZHXLP-JYJNAYRXSA-N 0 3 353.507 2.432 20 30 FEEDHN CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1 ZINC000329198658 553900662 /nfs/dbraw/zinc/90/06/62/553900662.db2.gz APFGKFJLQOEPSW-IPMKNSEASA-N 0 3 361.486 2.024 20 30 FEEDHN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000329246923 553910075 /nfs/dbraw/zinc/91/00/75/553910075.db2.gz AXIPEWCOVKQQCX-HIFRSBDPSA-N 0 3 358.490 2.463 20 30 FEEDHN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C1=CCN(C)CC1 ZINC000329258804 553913062 /nfs/dbraw/zinc/91/30/62/553913062.db2.gz AAGOBBMMHMNLFQ-CYBMUJFWSA-N 0 3 363.483 2.082 20 30 FEEDHN CN(C)[C@]1(CNC(=O)N2CCCC[C@H]2c2ccnn2C)CCSC1 ZINC000329332781 553927175 /nfs/dbraw/zinc/92/71/75/553927175.db2.gz NBBOKKREDDICOG-RDJZCZTQSA-N 0 3 351.520 2.298 20 30 FEEDHN COc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1N1CCCC1=O ZINC000329489573 553956612 /nfs/dbraw/zinc/95/66/12/553956612.db2.gz UVXXHQMRHITWRH-HNNXBMFYSA-N 0 3 358.442 2.148 20 30 FEEDHN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000329531067 553962714 /nfs/dbraw/zinc/96/27/14/553962714.db2.gz JDGABOIYMBKQNC-WDSOQIARSA-N 0 3 372.513 2.410 20 30 FEEDHN N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)c(F)c1 ZINC000506850725 561709983 /nfs/dbraw/zinc/70/99/83/561709983.db2.gz IGXPZKSPTSAECA-MRXNPFEDSA-N 0 3 356.445 2.267 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329614568 553977285 /nfs/dbraw/zinc/97/72/85/553977285.db2.gz SBNKURQCUZIRGC-QZTJIDSGSA-N 0 3 353.507 2.292 20 30 FEEDHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCC3(CCOCC3)[C@H]2C)C1 ZINC000329697384 553991275 /nfs/dbraw/zinc/99/12/75/553991275.db2.gz YHDZVHRAKCTWSL-QZTJIDSGSA-N 0 3 367.534 2.191 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)NCC2(N3CCOCC3)CCCCC2)CCN1C ZINC000329791929 554006787 /nfs/dbraw/zinc/00/67/87/554006787.db2.gz FCISGIPURAYZRA-SJORKVTESA-N 0 3 352.523 2.008 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)CCN1C ZINC000329792968 554007070 /nfs/dbraw/zinc/00/70/70/554007070.db2.gz APOZJTQFRFJGIA-GDBMZVCRSA-N 0 3 364.515 2.293 20 30 FEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000329897348 554026768 /nfs/dbraw/zinc/02/67/68/554026768.db2.gz LHDVWUAYTMDBBY-VBQJREDUSA-N 0 3 350.488 2.004 20 30 FEEDHN [O-]C(N[C@@H]1CCO[C@@]2(CCSC2)C1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329897348 554026770 /nfs/dbraw/zinc/02/67/70/554026770.db2.gz LHDVWUAYTMDBBY-VBQJREDUSA-N 0 3 350.488 2.004 20 30 FEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1CCOC2(CCSCC2)C1 ZINC000329905844 554029018 /nfs/dbraw/zinc/02/90/18/554029018.db2.gz RRZSXOJLSIBPAU-LSDHHAIUSA-N 0 3 364.515 2.394 20 30 FEEDHN [O-]C(N[C@@H]1CCOC2(CCSCC2)C1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329905844 554029019 /nfs/dbraw/zinc/02/90/19/554029019.db2.gz RRZSXOJLSIBPAU-LSDHHAIUSA-N 0 3 364.515 2.394 20 30 FEEDHN O=C(NCc1cc(F)cc2c1OCOC2)NC[C@H]1CCc2nccn2C1 ZINC000329914960 554031286 /nfs/dbraw/zinc/03/12/86/554031286.db2.gz PIJJUVLSMSVPQZ-GFCCVEGCSA-N 0 3 360.389 2.155 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000329941530 554036290 /nfs/dbraw/zinc/03/62/90/554036290.db2.gz CFFHCWILWDQMAC-GJYPPUQNSA-N 0 3 353.507 2.291 20 30 FEEDHN CCN1CCN(C(=O)NCC(C)(C)N2CCCCC2)C[C@@H]1c1ncc[nH]1 ZINC000329948299 554037381 /nfs/dbraw/zinc/03/73/81/554037381.db2.gz YWWAQRVCAPKCHT-MRXNPFEDSA-N 0 3 362.522 2.267 20 30 FEEDHN CN(C)[C@]1(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CCSC1 ZINC000330042388 554053407 /nfs/dbraw/zinc/05/34/07/554053407.db2.gz GROYKPYQEJYZPM-QAPCUYQASA-N 0 3 368.547 2.308 20 30 FEEDHN CN1CCC(Nc2ccccc2NC(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC000330051326 554055591 /nfs/dbraw/zinc/05/55/91/554055591.db2.gz NHERYQHCIFRLQA-HNNXBMFYSA-N 0 3 370.457 2.382 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn2c(n1)CCCC2 ZINC000507542643 561732475 /nfs/dbraw/zinc/73/24/75/561732475.db2.gz DMAVLIJNFZEPGO-UHFFFAOYSA-N 0 3 351.454 2.295 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000330088038 554062173 /nfs/dbraw/zinc/06/21/73/554062173.db2.gz NSGLIBSBHLTFBK-NVXWUHKLSA-N 0 3 374.533 2.437 20 30 FEEDHN Cn1cc([C@@H]2[C@H](C(=O)N[C@H]3CCN(C4CC4)C3)CC(=O)N2C(C)(C)C)cn1 ZINC000330105513 554064950 /nfs/dbraw/zinc/06/49/50/554064950.db2.gz JNULCPRMWRRMMV-YXJHDRRASA-N 0 3 373.501 2.301 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000330115440 554067142 /nfs/dbraw/zinc/06/71/42/554067142.db2.gz FPRRQKQWTULEGR-BSDSXHPESA-N 0 3 362.518 2.108 20 30 FEEDHN CC(C)c1nc2c(n1C)CCN(C(=O)NC[C@]1(N(C)C)CCSC1)C2 ZINC000330122488 554068387 /nfs/dbraw/zinc/06/83/87/554068387.db2.gz BWHZNMVGLYBFJR-GOSISDBHSA-N 0 3 365.547 2.253 20 30 FEEDHN CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@H](N4CCCCC4)C3)c2C1 ZINC000330177985 554078949 /nfs/dbraw/zinc/07/89/49/554078949.db2.gz LFXBVYCIDIPCFC-SJORKVTESA-N 0 3 373.501 2.122 20 30 FEEDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cn1 ZINC000330188297 554081173 /nfs/dbraw/zinc/08/11/73/554081173.db2.gz UKTAALNGVUYDCY-ZDRJDWQYSA-N 0 3 374.489 2.003 20 30 FEEDHN COC1CCC(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000330206000 554084949 /nfs/dbraw/zinc/08/49/49/554084949.db2.gz CWLKESFJLNPMOR-KLHKWILBSA-N 0 3 353.507 2.291 20 30 FEEDHN Cc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1N1CCNC1=O ZINC000330223064 554088020 /nfs/dbraw/zinc/08/80/20/554088020.db2.gz SDQQKHOPEFKYPU-MRXNPFEDSA-N 0 3 355.442 2.221 20 30 FEEDHN CC(C)[C@@H]1C[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCO1 ZINC000330228384 554089148 /nfs/dbraw/zinc/08/91/48/554089148.db2.gz PQBAPOUSGJWXQS-JZXOWHBKSA-N 0 3 353.507 2.289 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330268706 554096460 /nfs/dbraw/zinc/09/64/60/554096460.db2.gz RIGFQBSONVZAAD-CVEARBPZSA-N 0 3 351.491 2.187 20 30 FEEDHN C[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1cncc(F)c1 ZINC000330319325 554104641 /nfs/dbraw/zinc/10/46/41/554104641.db2.gz RGCNGEKFMXYRQQ-KBPBESRZSA-N 0 3 350.438 2.381 20 30 FEEDHN CCN1CCC[C@H](NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000330504596 554130542 /nfs/dbraw/zinc/13/05/42/554130542.db2.gz IABGWGHATKNTAN-INIZCTEOSA-N 0 3 367.515 2.343 20 30 FEEDHN CC(C)Cn1ncc(NC(=O)N2CCO[C@H](CN(C)C)C2)c1C(F)F ZINC000330644201 554150254 /nfs/dbraw/zinc/15/02/54/554150254.db2.gz HJOCCAAORYKGGV-GFCCVEGCSA-N 0 3 359.421 2.285 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)c2ncccc2Br)CC1 ZINC000331063727 554208285 /nfs/dbraw/zinc/20/82/85/554208285.db2.gz OZKQBTOGZZOKPQ-LBPRGKRZSA-N 0 3 356.264 2.242 20 30 FEEDHN CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C)CCN1C ZINC000508577606 561766626 /nfs/dbraw/zinc/76/66/26/561766626.db2.gz PVHBZWHRNZXDMV-QGZVFWFLSA-N 0 3 354.458 2.042 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000508810968 561773579 /nfs/dbraw/zinc/77/35/79/561773579.db2.gz FXQQOKADNWCBDH-DLBZAZTESA-N 0 3 363.506 2.253 20 30 FEEDHN C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508864749 561775674 /nfs/dbraw/zinc/77/56/74/561775674.db2.gz QIBDVWBYUPYPIG-INIZCTEOSA-N 0 3 363.506 2.110 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCCC2)CC1 ZINC000508862673 561775705 /nfs/dbraw/zinc/77/57/05/561775705.db2.gz FSKICDFZUPRPRG-INIZCTEOSA-N 0 3 363.506 2.253 20 30 FEEDHN C=CCn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000508888741 561776899 /nfs/dbraw/zinc/77/68/99/561776899.db2.gz PGVHLKJCFHXROA-KRWDZBQOSA-N 0 3 373.526 2.275 20 30 FEEDHN C=CCSCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000509187363 561788902 /nfs/dbraw/zinc/78/89/02/561788902.db2.gz UUBRRLDMLCXODY-MSOLQXFVSA-N 0 3 363.527 2.088 20 30 FEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000332029128 554366900 /nfs/dbraw/zinc/36/69/00/554366900.db2.gz HITSRBXPCUKXSN-JKSUJKDBSA-N 0 3 356.470 2.070 20 30 FEEDHN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)C(C)C#N)CC3)n2)cc1 ZINC000510361119 561832401 /nfs/dbraw/zinc/83/24/01/561832401.db2.gz IKNVRNDLACXBOS-LSDHHAIUSA-N 0 3 353.426 2.410 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(CC2CCN(Cc3cccs3)CC2)C1=O ZINC000348505876 554687497 /nfs/dbraw/zinc/68/74/97/554687497.db2.gz JFHHHEBPDOOCRI-MRXNPFEDSA-N 0 3 363.483 2.083 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000348626839 554692480 /nfs/dbraw/zinc/69/24/80/554692480.db2.gz SWPDYTYHOFOLFE-SZMVWBNQSA-N 0 3 357.454 2.020 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000360356949 554872160 /nfs/dbraw/zinc/87/21/60/554872160.db2.gz ZDCLBDDBTYJGRK-UHFFFAOYSA-N 0 3 369.513 2.117 20 30 FEEDHN C[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360682354 554885329 /nfs/dbraw/zinc/88/53/29/554885329.db2.gz UJCAVFAWQSPMMD-HNNXBMFYSA-N 0 3 374.444 2.473 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2cn[nH]c21 ZINC000362407490 554970442 /nfs/dbraw/zinc/97/04/42/554970442.db2.gz JIJDSYZUAYHMNJ-SFHVURJKSA-N 0 3 351.454 2.292 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](c2nnc(C)n2C)c2ccccc2)CC1 ZINC000363496324 555120675 /nfs/dbraw/zinc/12/06/75/555120675.db2.gz OMHBWMNVOBECBK-SFHVURJKSA-N 0 3 368.485 2.163 20 30 FEEDHN CN1CCN(C[C@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000363741121 555176506 /nfs/dbraw/zinc/17/65/06/555176506.db2.gz UEIVHCCELPCOFK-LJQANCHMSA-N 0 3 366.509 2.076 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000364230833 555275025 /nfs/dbraw/zinc/27/50/25/555275025.db2.gz LVZHWDDBFRHDKZ-FQEVSTJZSA-N 0 3 363.502 2.237 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC(N2CCN(CCC)CC2)CC1 ZINC000364452366 555316751 /nfs/dbraw/zinc/31/67/51/555316751.db2.gz DIPHVYPYHJDTLD-FQEVSTJZSA-N 0 3 351.535 2.234 20 30 FEEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCN(c2cnccn2)CC1 ZINC000364824680 555408498 /nfs/dbraw/zinc/40/84/98/555408498.db2.gz UPPLHVOJYKKXOC-UHFFFAOYSA-N 0 3 370.501 2.062 20 30 FEEDHN C=CCN(C(=O)NOC[C@@H]1CCOC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364959635 555450832 /nfs/dbraw/zinc/45/08/32/555450832.db2.gz XREUEVCQEGQKBZ-MOPGFXCFSA-N 0 3 359.470 2.427 20 30 FEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365147492 555495521 /nfs/dbraw/zinc/49/55/21/555495521.db2.gz BZDQLUOTVJBANW-RBUKOAKNSA-N 0 3 370.497 2.142 20 30 FEEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000365256329 555524332 /nfs/dbraw/zinc/52/43/32/555524332.db2.gz MLWVLHRUNASRFG-MRXNPFEDSA-N 0 3 354.458 2.254 20 30 FEEDHN CC(C)n1nc2c(cc1=O)CN(CCC(=O)Nc1sccc1C#N)CC2 ZINC000365395860 555563928 /nfs/dbraw/zinc/56/39/28/555563928.db2.gz VSJFJQGVWLEUBL-UHFFFAOYSA-N 0 3 371.466 2.144 20 30 FEEDHN N#Cc1c(F)ccc(CN[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1Cl ZINC000365482043 555587427 /nfs/dbraw/zinc/58/74/27/555587427.db2.gz UHGHVBWJUABDGW-BLLLJJGKSA-N 0 3 372.849 2.177 20 30 FEEDHN CN1CCC(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1 ZINC000365986197 555717877 /nfs/dbraw/zinc/71/78/77/555717877.db2.gz PRIYERTZEKJSMT-UHFFFAOYSA-N 0 3 354.498 2.393 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000366034856 555732642 /nfs/dbraw/zinc/73/26/42/555732642.db2.gz SWLJKVHHPCNEBP-YJJPMGAVSA-N 0 3 352.482 2.198 20 30 FEEDHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)c2ccccc2O1 ZINC000366185215 555774890 /nfs/dbraw/zinc/77/48/90/555774890.db2.gz ZLXPOQMPGOIZGV-OAHLLOKOSA-N 0 3 357.435 2.076 20 30 FEEDHN C=CCc1ccc(OCC(=O)NC2CCN([C@@H]3CCOC3)CC2)c(OC)c1 ZINC000366191927 555776843 /nfs/dbraw/zinc/77/68/43/555776843.db2.gz MLRKSAWURORGOO-GOSISDBHSA-N 0 3 374.481 2.172 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCN(CC(F)(F)F)CC2)cc1 ZINC000366308534 555808384 /nfs/dbraw/zinc/80/83/84/555808384.db2.gz IDCKWFZVKRWJED-MRXNPFEDSA-N 0 3 364.371 2.337 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CCN(CC)C2 ZINC000367194498 556003397 /nfs/dbraw/zinc/00/33/97/556003397.db2.gz JRMRKUQQPUDVPQ-HNAYVOBHSA-N 0 3 371.481 2.101 20 30 FEEDHN N#Cc1ccc2ncc(CN[C@H]3CCN(C(=O)Cc4ccccc4)C3)n2c1 ZINC000367411027 556041461 /nfs/dbraw/zinc/04/14/61/556041461.db2.gz VHVZDBPJUSOQFP-SFHVURJKSA-N 0 3 359.433 2.139 20 30 FEEDHN C=CCOc1cccc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)c1 ZINC000367423211 556044692 /nfs/dbraw/zinc/04/46/92/556044692.db2.gz QDDICAUGDRMDHH-UHFFFAOYSA-N 0 3 354.454 2.379 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000514788888 561979671 /nfs/dbraw/zinc/97/96/71/561979671.db2.gz PXOLYKWJDXZANH-KRWDZBQOSA-N 0 3 358.417 2.309 20 30 FEEDHN CC(C)(C#N)CCS(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000367689068 556115389 /nfs/dbraw/zinc/11/53/89/556115389.db2.gz QZNTVUMUHFEUFC-HDICACEKSA-N 0 3 361.511 2.320 20 30 FEEDHN COc1cc(OC)c2ncc(C#N)c(N3CCCN([C@H](C)CO)CC3)c2c1 ZINC000367825841 556148527 /nfs/dbraw/zinc/14/85/27/556148527.db2.gz LOBTUAKYGNUZHO-CQSZACIVSA-N 0 3 370.453 2.017 20 30 FEEDHN C=CCN(C(=O)C[C@@H]1CCCC(=O)N1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000367953954 556181424 /nfs/dbraw/zinc/18/14/24/556181424.db2.gz YFNBQTCYQSPMFB-RBUKOAKNSA-N 0 3 355.482 2.334 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC(C)(C)CN3CCCC3)cc2C1=O ZINC000515428749 562010164 /nfs/dbraw/zinc/01/01/64/562010164.db2.gz RRVUEIVHXAGHOQ-UHFFFAOYSA-N 0 3 355.438 2.073 20 30 FEEDHN C[C@@H](CNC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)N(C)C1CC1 ZINC000369049984 556489451 /nfs/dbraw/zinc/48/94/51/556489451.db2.gz AUTNZXFTLXUMRP-INIZCTEOSA-N 0 3 355.486 2.263 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCCN(c3nc(C)cs3)CC2)CC1 ZINC000369073746 556497637 /nfs/dbraw/zinc/49/76/37/556497637.db2.gz JALSDYKBLQDSJY-UHFFFAOYSA-N 0 3 363.531 2.324 20 30 FEEDHN CCCN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000369152831 556518187 /nfs/dbraw/zinc/51/81/87/556518187.db2.gz ASNHDKRMDACXGP-UHFFFAOYSA-N 0 3 357.458 2.463 20 30 FEEDHN COc1ccc([C@H](CCC#N)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000369322332 556574430 /nfs/dbraw/zinc/57/44/30/556574430.db2.gz QRUHYAFLZOFPFS-SYNHAJSKSA-N 0 3 370.453 2.350 20 30 FEEDHN N#Cc1ccccc1OCCN1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000516156788 562033182 /nfs/dbraw/zinc/03/31/82/562033182.db2.gz AENHBGMGJCJPJT-UHFFFAOYSA-N 0 3 355.360 2.328 20 30 FEEDHN CN1CCN(CCNCc2cnc3ccc(C#N)cn23)[C@@H](c2ccccc2)C1 ZINC000369480654 556608395 /nfs/dbraw/zinc/60/83/95/556608395.db2.gz QZDGLDSSEYJYDA-OAQYLSRUSA-N 0 3 374.492 2.284 20 30 FEEDHN C#CCCN1CCC(NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000369758465 556686522 /nfs/dbraw/zinc/68/65/22/556686522.db2.gz XZJAECVSWZSIMX-UHFFFAOYSA-N 0 3 373.522 2.204 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](O)CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000516563790 562048059 /nfs/dbraw/zinc/04/80/59/562048059.db2.gz UQYOTORUHWWYRE-CZAAIQMYSA-N 0 3 363.461 2.413 20 30 FEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370000060 556753448 /nfs/dbraw/zinc/75/34/48/556753448.db2.gz SQKSHHPZVCPKDC-HNNXBMFYSA-N 0 3 370.432 2.689 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000370416764 556866211 /nfs/dbraw/zinc/86/62/11/556866211.db2.gz ZPISNLSPZQYVQO-OAHLLOKOSA-N 0 3 360.458 2.288 20 30 FEEDHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000370667438 556934951 /nfs/dbraw/zinc/93/49/51/556934951.db2.gz MKAOYGMBAZCYKG-FUHWJXTLSA-N 0 3 366.383 2.330 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371228717 557113312 /nfs/dbraw/zinc/11/33/12/557113312.db2.gz HRZHPFAUQQIFFM-MAUKXSAKSA-N 0 3 356.470 2.199 20 30 FEEDHN COCCCN(C)CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371345848 557154596 /nfs/dbraw/zinc/15/45/96/557154596.db2.gz YDYXRPUMDDPJOX-UHFFFAOYSA-N 0 3 356.470 2.325 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(CCc3ccccc3)CC2)CC1 ZINC000518022730 562102847 /nfs/dbraw/zinc/10/28/47/562102847.db2.gz KDABAGPYHPLNGA-UHFFFAOYSA-N 0 3 356.514 2.207 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000372715900 557545103 /nfs/dbraw/zinc/54/51/03/557545103.db2.gz KTXIUJCSJVKQQY-HNNXBMFYSA-N 0 3 372.517 2.002 20 30 FEEDHN COC(=O)c1ccc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)n1 ZINC000519667349 562139120 /nfs/dbraw/zinc/13/91/20/562139120.db2.gz DLCXDJYCZKHMTA-HUUCEWRRSA-N 0 3 372.469 2.065 20 30 FEEDHN CN(C)CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000519814469 562144949 /nfs/dbraw/zinc/14/49/49/562144949.db2.gz ONZDZWAZXDDAME-QGZVFWFLSA-N 0 3 351.516 2.288 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1 ZINC000373402723 557687530 /nfs/dbraw/zinc/68/75/30/557687530.db2.gz KTGWRJKCXUGNTB-JTSKRJEESA-N 0 3 370.412 2.363 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(Oc3cnccn3)CC2)cc1 ZINC000373505568 557707140 /nfs/dbraw/zinc/70/71/40/557707140.db2.gz ZTJGNJCFNOJSSQ-KRWDZBQOSA-N 0 3 361.405 2.101 20 30 FEEDHN CCc1nc(CN2C[C@@H]3CN(Cc4ccc(C#N)c(OC)c4)C[C@H]3C2)no1 ZINC000374204219 557843143 /nfs/dbraw/zinc/84/31/43/557843143.db2.gz IEPNRGFNRUSKBZ-IRXDYDNUSA-N 0 3 367.453 2.076 20 30 FEEDHN C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)C1=CCN(C)CC1 ZINC000374417213 557881336 /nfs/dbraw/zinc/88/13/36/557881336.db2.gz UNAXKILHEVCUPA-INIZCTEOSA-N 0 3 353.470 2.299 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000375356794 558014781 /nfs/dbraw/zinc/01/47/81/558014781.db2.gz OWTVLTZSMYYQQR-HXUWFJFHSA-N 0 3 351.535 2.232 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000375706344 558070326 /nfs/dbraw/zinc/07/03/26/558070326.db2.gz JLQFIBABHBZNRK-RBUKOAKNSA-N 0 3 364.449 2.244 20 30 FEEDHN COC(=O)[C@H](NC[C@@H]1CCN(C)[C@H]1c1cccnc1)c1cccc(C#N)c1 ZINC000376691141 558209329 /nfs/dbraw/zinc/20/93/29/558209329.db2.gz RNZJHLCJVNYGGU-ZCNNSNEGSA-N 0 3 364.449 2.450 20 30 FEEDHN C=CCOc1ccc(CNC(=O)N2CCC[C@H]2CN2CCC[C@H]2CO)cc1 ZINC000377226379 558293529 /nfs/dbraw/zinc/29/35/29/558293529.db2.gz VYSLHEQDENWSIH-OALUTQOASA-N 0 3 373.497 2.382 20 30 FEEDHN C=CCN(C(=O)c1ccn(C)c(=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000377571706 558368428 /nfs/dbraw/zinc/36/84/28/558368428.db2.gz DOMDFIIOAQYIID-IBGZPJMESA-N 0 3 351.450 2.288 20 30 FEEDHN CC(C)(C#N)CCS(=O)(=O)NC[C@H]1CCN(CCc2ccccc2)C1 ZINC000377835122 558431386 /nfs/dbraw/zinc/43/13/86/558431386.db2.gz RAWLQSMHVRSSIZ-GOSISDBHSA-N 0 3 363.527 2.410 20 30 FEEDHN Cn1cc(Cl)cc1C(=O)N1CCCN(CCCSCC#N)CC1 ZINC000377908499 558445782 /nfs/dbraw/zinc/44/57/82/558445782.db2.gz UYAPAZHFDYVMIJ-UHFFFAOYSA-N 0 3 354.907 2.473 20 30 FEEDHN CC(C#N)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000522977702 562206946 /nfs/dbraw/zinc/20/69/46/562206946.db2.gz PYFIKSMEMUPCEN-JTQLQIEISA-N 0 3 373.272 2.277 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000378193790 558500374 /nfs/dbraw/zinc/50/03/74/558500374.db2.gz ZSKHKGMUMSGAIU-GOSISDBHSA-N 0 3 355.486 2.499 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000378463438 558562876 /nfs/dbraw/zinc/56/28/76/558562876.db2.gz QLTOTZZCIKUZED-XMSQKQJNSA-N 0 3 368.525 2.075 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000524599481 562230910 /nfs/dbraw/zinc/23/09/10/562230910.db2.gz KJJPNUWDVYHCGE-FUHWJXTLSA-N 0 3 358.486 2.156 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000410411683 558755818 /nfs/dbraw/zinc/75/58/18/558755818.db2.gz SIKIIYNLIRXQFR-KYJSFNMBSA-N 0 3 366.531 2.302 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000410688643 558799123 /nfs/dbraw/zinc/79/91/23/558799123.db2.gz OCGVHDJNCLXQJD-UHFFFAOYSA-N 0 3 358.486 2.181 20 30 FEEDHN C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000411555184 558916310 /nfs/dbraw/zinc/91/63/10/558916310.db2.gz GPJLFNOKTBJKQL-UHFFFAOYSA-N 0 3 365.449 2.423 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000411642316 558934801 /nfs/dbraw/zinc/93/48/01/558934801.db2.gz MTOYJRJMHWYGKE-UHFFFAOYSA-N 0 3 363.487 2.485 20 30 FEEDHN C=CCN(C)CCN(CC)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000411646925 558935340 /nfs/dbraw/zinc/93/53/40/558935340.db2.gz WVEFVUJWGUXSIH-UHFFFAOYSA-N 0 3 355.490 2.446 20 30 FEEDHN COC(=O)[C@@H]1CN(C)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000411911054 558986391 /nfs/dbraw/zinc/98/63/91/558986391.db2.gz SULROPUFBOFEBM-OAHLLOKOSA-N 0 3 354.372 2.094 20 30 FEEDHN C=CC[C@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000412469335 559037625 /nfs/dbraw/zinc/03/76/25/559037625.db2.gz WVXBZTCOEUJHPN-FQEVSTJZSA-N 0 3 371.525 2.259 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000413825457 559133086 /nfs/dbraw/zinc/13/30/86/559133086.db2.gz GGEKKUPIQSGQLU-HXUWFJFHSA-N 0 3 358.530 2.453 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC000413922149 559140728 /nfs/dbraw/zinc/14/07/28/559140728.db2.gz KFXDWHPSQCESHO-ZWKOTPCHSA-N 0 3 360.479 2.185 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415102417 559205330 /nfs/dbraw/zinc/20/53/30/559205330.db2.gz DRVUJJRSRXFOPH-JTQLQIEISA-N 0 3 356.348 2.111 20 30 FEEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H](C)CN ZINC000415423897 559234547 /nfs/dbraw/zinc/23/45/47/559234547.db2.gz ZUSPIUYGJPVRFH-CQSZACIVSA-N 0 3 366.421 2.403 20 30 FEEDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000415437251 559236782 /nfs/dbraw/zinc/23/67/82/559236782.db2.gz ZELURAZQUNIORH-CQSZACIVSA-N 0 3 371.466 2.110 20 30 FEEDHN CC(C)(C)c1csc(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)c1C#N ZINC000415821038 559275056 /nfs/dbraw/zinc/27/50/56/559275056.db2.gz FACZIIWBCAQZPH-AWEZNQCLSA-N 0 3 362.499 2.489 20 30 FEEDHN CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)s1 ZINC000415823920 559275388 /nfs/dbraw/zinc/27/53/88/559275388.db2.gz SLINCKFKJLAGEN-ZDUSSCGKSA-N 0 3 362.499 2.489 20 30 FEEDHN C[C@@H](NC(=O)C(=O)N(C)[C@H](C)CN)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419208275 559432690 /nfs/dbraw/zinc/43/26/90/559432690.db2.gz NYCGNOOZOIYIOD-HUUCEWRRSA-N 0 3 364.449 2.208 20 30 FEEDHN N#CCC[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CNC2)c1ccccc1 ZINC000419477224 559444524 /nfs/dbraw/zinc/44/45/24/559444524.db2.gz REEVPNUAQKLNMZ-LJQANCHMSA-N 0 3 362.433 2.067 20 30 FEEDHN C=C(C)[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1CN)c1ccc(F)c(F)c1 ZINC000419674670 559453212 /nfs/dbraw/zinc/45/32/12/559453212.db2.gz JILNVKHGCPCIQY-CZUORRHYSA-N 0 3 351.397 2.038 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000420107336 559473051 /nfs/dbraw/zinc/47/30/51/559473051.db2.gz VWOOLXIIOWPWRK-UHFFFAOYSA-N 0 3 363.461 2.163 20 30 FEEDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000420457292 559488480 /nfs/dbraw/zinc/48/84/80/559488480.db2.gz HVZLBFQCLAINIM-INIZCTEOSA-N 0 3 359.451 2.108 20 30 FEEDHN CN(CCCC(C)(C)C#N)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420969842 559515596 /nfs/dbraw/zinc/51/55/96/559515596.db2.gz CWRJLYMJWOOYBJ-UHFFFAOYSA-N 0 3 368.459 2.135 20 30 FEEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000421303392 559537470 /nfs/dbraw/zinc/53/74/70/559537470.db2.gz SAMOJOSPRDDSML-CQSZACIVSA-N 0 3 360.483 2.183 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)CCN1Cc1ccccc1 ZINC000422307700 559577434 /nfs/dbraw/zinc/57/74/34/559577434.db2.gz OMHFXMXLRJNVJM-FUHWJXTLSA-N 0 3 370.497 2.212 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422540330 559593818 /nfs/dbraw/zinc/59/38/18/559593818.db2.gz JYXDMEGAGDFGRJ-MOPGFXCFSA-N 0 3 357.498 2.231 20 30 FEEDHN COc1ccc(Cn2ncc(C)c2NC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424101855 559654828 /nfs/dbraw/zinc/65/48/28/559654828.db2.gz KNKNWQOUYXLUIZ-HNNXBMFYSA-N 0 3 371.441 2.217 20 30 FEEDHN COC(=O)c1cccc(Cc2cnc(NC(=O)[C@@H](N)CCCC#N)s2)c1 ZINC000424113936 559655149 /nfs/dbraw/zinc/65/51/49/559655149.db2.gz PDMJNGIMONDXET-HNNXBMFYSA-N 0 3 372.450 2.480 20 30 FEEDHN CCC(CC)NC(=O)[C@@H]1CN(C(=O)[C@H](N)CCCC#N)c2ccccc2O1 ZINC000424117409 559655276 /nfs/dbraw/zinc/65/52/76/559655276.db2.gz YNZYLNNLMYZYSU-QAPCUYQASA-N 0 3 372.469 2.107 20 30 FEEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(Br)c1 ZINC000424124622 559655479 /nfs/dbraw/zinc/65/54/79/559655479.db2.gz MMWIENWHXCGVLG-SMDDNHRTSA-N 0 3 354.248 2.354 20 30 FEEDHN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424153180 559656174 /nfs/dbraw/zinc/65/61/74/559656174.db2.gz JREPQZVMFNJLAH-SUMWQHHRSA-N 0 3 350.413 2.191 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000424177783 559656819 /nfs/dbraw/zinc/65/68/19/559656819.db2.gz VFBZJWZSWBSNMC-ZDUSSCGKSA-N 0 3 368.359 2.488 20 30 FEEDHN CCOc1ccccc1CN1CCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)C1 ZINC000424178545 559656837 /nfs/dbraw/zinc/65/68/37/559656837.db2.gz WWCQRODFOROPDD-WMZOPIPTSA-N 0 3 358.486 2.139 20 30 FEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424467512 559666505 /nfs/dbraw/zinc/66/65/05/559666505.db2.gz NEOWSSJMWACMBW-UHFFFAOYSA-N 0 3 371.437 2.082 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000425421845 559701339 /nfs/dbraw/zinc/70/13/39/559701339.db2.gz MMAUBCRUHFXNKM-VQTJNVASSA-N 0 3 369.513 2.316 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000425470003 559703929 /nfs/dbraw/zinc/70/39/29/559703929.db2.gz FGMUZBQUSDKQHH-WMZOPIPTSA-N 0 3 368.485 2.316 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)nn1 ZINC000425561357 559709780 /nfs/dbraw/zinc/70/97/80/559709780.db2.gz ANOUGDBMBPDWRA-LJQANCHMSA-N 0 3 368.485 2.409 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](NCCC(=O)Nc1sccc1C#N)C(N)=O ZINC000428856935 559784898 /nfs/dbraw/zinc/78/48/98/559784898.db2.gz PMFCVEKOWICIRL-WBMJQRKESA-N 0 3 356.451 2.196 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccnc(C)c2Br)CC1 ZINC000527337861 562285926 /nfs/dbraw/zinc/28/59/26/562285926.db2.gz VKDXZDJWIRTVFC-UHFFFAOYSA-N 0 3 353.264 2.346 20 30 FEEDHN C=CCN(C)CCN(CC)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000429727599 559804675 /nfs/dbraw/zinc/80/46/75/559804675.db2.gz VNBCEKPTADDYJV-OAHLLOKOSA-N 0 3 365.499 2.080 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(O)(C(F)F)CC1)C(C)C ZINC000429943824 559809360 /nfs/dbraw/zinc/80/93/60/559809360.db2.gz KPIMKLSXLWHAJK-OAHLLOKOSA-N 0 3 359.461 2.487 20 30 FEEDHN N#CCC1(CNC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000430562560 559822831 /nfs/dbraw/zinc/82/28/31/559822831.db2.gz FGGPHDJLOWBJNW-UHFFFAOYSA-N 0 3 356.470 2.136 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000433321361 559876829 /nfs/dbraw/zinc/87/68/29/559876829.db2.gz XRTDYVJVIGJUSA-MRXNPFEDSA-N 0 3 361.401 2.171 20 30 FEEDHN CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435498598 559924161 /nfs/dbraw/zinc/92/41/61/559924161.db2.gz YFWMZWZIQWEKSH-AWEZNQCLSA-N 0 3 360.458 2.130 20 30 FEEDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435498599 559924184 /nfs/dbraw/zinc/92/41/84/559924184.db2.gz YFWMZWZIQWEKSH-CQSZACIVSA-N 0 3 360.458 2.130 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443515082 560086017 /nfs/dbraw/zinc/08/60/17/560086017.db2.gz BBIYJBDOWPTVLG-ZDUSSCGKSA-N 0 3 355.408 2.658 20 30 FEEDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000445904200 560136657 /nfs/dbraw/zinc/13/66/57/560136657.db2.gz OQMVFGYJTPRWBE-CABCVRRESA-N 0 3 362.440 2.245 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000446034413 560138454 /nfs/dbraw/zinc/13/84/54/560138454.db2.gz CPUGWNZJHLMCKQ-UHFFFAOYSA-N 0 3 368.275 2.249 20 30 FEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446386981 560145307 /nfs/dbraw/zinc/14/53/07/560145307.db2.gz UPRMPQSUJSFQJT-TWOQFEAHSA-N 0 3 372.469 2.465 20 30 FEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000448323937 560184516 /nfs/dbraw/zinc/18/45/16/560184516.db2.gz ZVKISBKVQLUTAW-OAHLLOKOSA-N 0 3 362.861 2.387 20 30 FEEDHN COCCN(C)CCCNC(=O)c1cccc(C#N)c1Br ZINC000448691922 560194632 /nfs/dbraw/zinc/19/46/32/560194632.db2.gz UMBUGFWVWKUZFY-UHFFFAOYSA-N 0 3 354.248 2.019 20 30 FEEDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(C#N)[nH]c1C ZINC000448794166 560199656 /nfs/dbraw/zinc/19/96/56/560199656.db2.gz BEZLBPFAPYVOIR-INIZCTEOSA-N 0 3 360.458 2.075 20 30 FEEDHN CN(CCN1CCCC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448903800 560205739 /nfs/dbraw/zinc/20/57/39/560205739.db2.gz JUUNQTZLPJWHJA-HNNXBMFYSA-N 0 3 374.872 2.119 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449819090 560241097 /nfs/dbraw/zinc/24/10/97/560241097.db2.gz HIDWSVNFIPGZIW-CYBMUJFWSA-N 0 3 366.259 2.300 20 30 FEEDHN C[C@H]1CCN(C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449854108 560242813 /nfs/dbraw/zinc/24/28/13/560242813.db2.gz FBQHDLPPXLDFRZ-LBPRGKRZSA-N 0 3 366.259 2.252 20 30 FEEDHN CCN1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449855858 560242933 /nfs/dbraw/zinc/24/29/33/560242933.db2.gz NASIANOCCOEUTB-UHFFFAOYSA-N 0 3 366.259 2.254 20 30 FEEDHN CN(C)C[C@H](O)COc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 ZINC000450134223 560251690 /nfs/dbraw/zinc/25/16/90/560251690.db2.gz OIYCKUNUHYKPAZ-JXFKEZNVSA-N 0 3 357.454 2.400 20 30 FEEDHN C=CCOc1ccc(CC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000450319485 560258377 /nfs/dbraw/zinc/25/83/77/560258377.db2.gz YWMDMAVZZVYGAZ-WIYYLYMNSA-N 0 3 371.525 2.278 20 30 FEEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(C#N)n2C)cc1 ZINC000450523837 560265116 /nfs/dbraw/zinc/26/51/16/560265116.db2.gz KEFPISDCXJBIAZ-GOSISDBHSA-N 0 3 352.438 2.472 20 30 FEEDHN C=CCOc1ccc(CC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000450957123 560279858 /nfs/dbraw/zinc/27/98/58/560279858.db2.gz JRVJPMFABLHSAY-UHFFFAOYSA-N 0 3 359.514 2.326 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000451601608 560316840 /nfs/dbraw/zinc/31/68/40/560316840.db2.gz BEVSPIORWYGLQK-CABCVRRESA-N 0 3 358.360 2.134 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000451703122 560323302 /nfs/dbraw/zinc/32/33/02/560323302.db2.gz DOCRMHOTMOEOHG-MOPGFXCFSA-N 0 3 356.514 2.448 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451903652 560336221 /nfs/dbraw/zinc/33/62/21/560336221.db2.gz JNULCSXGTASVIP-BFYDXBDKSA-N 0 3 359.388 2.400 20 30 FEEDHN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453430568 560386574 /nfs/dbraw/zinc/38/65/74/560386574.db2.gz DKDUXLVAHGYILU-JKSUJKDBSA-N 0 3 351.495 2.109 20 30 FEEDHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453627960 560391977 /nfs/dbraw/zinc/39/19/77/560391977.db2.gz WLSXYTFDJPCMJH-CQSZACIVSA-N 0 3 364.877 2.437 20 30 FEEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453665417 560394806 /nfs/dbraw/zinc/39/48/06/560394806.db2.gz GUBHGGTYIYCGMR-BLLLJJGKSA-N 0 3 362.861 2.189 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000454570204 560450003 /nfs/dbraw/zinc/45/00/03/560450003.db2.gz DLOLSTGEFLSAII-INIZCTEOSA-N 0 3 360.458 2.314 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@H]2CCOC2)cc1 ZINC000455248564 560475662 /nfs/dbraw/zinc/47/56/62/560475662.db2.gz HGECRRVJLGXVGY-KBPBESRZSA-N 0 3 365.455 2.311 20 30 FEEDHN N#CCc1ccc(NC(=O)NC[C@@H](O)CN2CCCCC2)c(Cl)c1 ZINC000455712544 560492668 /nfs/dbraw/zinc/49/26/68/560492668.db2.gz ZWRUFSLTSSSSIE-CQSZACIVSA-N 0 3 350.850 2.374 20 30 FEEDHN C=CCC[C@H](CO)NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000457488159 560570134 /nfs/dbraw/zinc/57/01/34/560570134.db2.gz QGFGAUPIEUREGJ-MJGOQNOKSA-N 0 3 361.486 2.458 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2)C(C)C ZINC000457736990 560584984 /nfs/dbraw/zinc/58/49/84/560584984.db2.gz DMFGSKNSHNEYCW-SQNIBIBYSA-N 0 3 362.518 2.090 20 30 FEEDHN C=CCC[C@@H](CO)NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000458748788 560645778 /nfs/dbraw/zinc/64/57/78/560645778.db2.gz CICPOCRFHIUOJV-KRWDZBQOSA-N 0 3 361.486 2.286 20 30 FEEDHN CN(C)CCN(Cc1ccccn1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459132702 560668997 /nfs/dbraw/zinc/66/89/97/560668997.db2.gz XJSZPDIDVUSYDD-UHFFFAOYSA-N 0 3 355.417 2.366 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000462338901 560806704 /nfs/dbraw/zinc/80/67/04/560806704.db2.gz GOBOURBKXKSBDB-OAHLLOKOSA-N 0 3 350.422 2.414 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C ZINC000467155404 560905177 /nfs/dbraw/zinc/90/51/77/560905177.db2.gz OIGPZRUKMXWBAX-AAEUAGOBSA-N 0 3 357.426 2.330 20 30 FEEDHN CN(CC(=O)NCc1ccccc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470965371 560995442 /nfs/dbraw/zinc/99/54/42/560995442.db2.gz CBLBRILRONCYPM-LJQANCHMSA-N 0 3 360.417 2.015 20 30 FEEDHN C=CCN(CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000472244781 561021716 /nfs/dbraw/zinc/02/17/16/561021716.db2.gz XXMAKWHPBGEKJI-CQSZACIVSA-N 0 3 368.401 2.016 20 30 FEEDHN Cn1ncc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1C#N ZINC000475385800 561096017 /nfs/dbraw/zinc/09/60/17/561096017.db2.gz CBLMFLZANIYMTN-UHFFFAOYSA-N 0 3 355.467 2.135 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1CCC(C(N)=O)CC1)C(C)C ZINC000476023085 561109642 /nfs/dbraw/zinc/10/96/42/561109642.db2.gz GNOKBDFBACWVEE-OFLPRAFFSA-N 0 3 350.507 2.028 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)c2cnn(C)c2C#N)CCN1Cc1ccccc1 ZINC000476083184 561111080 /nfs/dbraw/zinc/11/10/80/561111080.db2.gz BEFROPUIJSXZGJ-NVXWUHKLSA-N 0 3 351.454 2.417 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(C(=O)N2CCCCC2)CC1 ZINC000528346120 562323812 /nfs/dbraw/zinc/32/38/12/562323812.db2.gz PENWZIRNKUKYBW-IBGZPJMESA-N 0 3 371.481 2.022 20 30 FEEDHN CC(C)[C@H](C)NC(=O)C1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528368847 562325233 /nfs/dbraw/zinc/32/52/33/562325233.db2.gz WODFLQCGJJVQFU-LPHOPBHVSA-N 0 3 373.497 2.171 20 30 FEEDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528380967 562325891 /nfs/dbraw/zinc/32/58/91/562325891.db2.gz LBWKBAFRWZRFKL-AEFFLSMTSA-N 0 3 373.497 2.172 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(CN2CCCCC2=O)CC1 ZINC000528417472 562328108 /nfs/dbraw/zinc/32/81/08/562328108.db2.gz QGGFSNFEFVKVDH-LJQANCHMSA-N 0 3 371.481 2.022 20 30 FEEDHN CN1CC[C@@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1 ZINC000528495710 562332304 /nfs/dbraw/zinc/33/23/04/562332304.db2.gz ZPMZRGOCRRDNSZ-RTWAWAEBSA-N 0 3 373.456 2.321 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCCN2c3ccccc3C[C@H]2C1 ZINC000528504228 562332977 /nfs/dbraw/zinc/33/29/77/562332977.db2.gz NCUILZPTGQOMJW-VQTJNVASSA-N 0 3 363.461 2.435 20 30 FEEDHN Cn1cc([C@H]2CN(C[C@H](O)COc3ccccc3C#N)CC2(C)C)cn1 ZINC000528513686 562333447 /nfs/dbraw/zinc/33/34/47/562333447.db2.gz FJMBTOLGZPESMH-ZWKOTPCHSA-N 0 3 354.454 2.157 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC2(CCC(O)CC2)CC1 ZINC000528514092 562333505 /nfs/dbraw/zinc/33/35/05/562333505.db2.gz CMDRQMCDAKMSRZ-UHFFFAOYSA-N 0 3 366.461 2.303 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000528920264 562352920 /nfs/dbraw/zinc/35/29/20/562352920.db2.gz SHBMSDRNYYIWFW-IGXHCJPISA-N 0 3 358.394 2.165 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000529924601 562391783 /nfs/dbraw/zinc/39/17/83/562391783.db2.gz BYTPZWQBBGQBDL-QGZVFWFLSA-N 0 3 357.417 2.493 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000531044473 562432634 /nfs/dbraw/zinc/43/26/34/562432634.db2.gz NCVGWPGHHKKQLT-CABCVRRESA-N 0 3 374.510 2.477 20 30 FEEDHN CC(C)(O)CN(CC(=O)N(CCC#N)c1ccccc1)C1CCOCC1 ZINC000531416004 562445165 /nfs/dbraw/zinc/44/51/65/562445165.db2.gz AVLNQACWXUHEQR-UHFFFAOYSA-N 0 3 359.470 2.185 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CCC(=O)OC)CC2)CC1 ZINC000531474591 562447239 /nfs/dbraw/zinc/44/72/39/562447239.db2.gz YVVSHARVPHEUIO-UHFFFAOYSA-N 0 3 351.491 2.402 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(c3c(C#N)nnc4ccccc43)C2)CC1 ZINC000532093085 562466771 /nfs/dbraw/zinc/46/67/71/562466771.db2.gz PQBWCYNOFQRPSG-MRXNPFEDSA-N 0 3 350.470 2.106 20 30 FEEDHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000533038952 562496480 /nfs/dbraw/zinc/49/64/80/562496480.db2.gz WJGAJSLFPBMYKE-OAHLLOKOSA-N 0 3 353.463 2.486 20 30 FEEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000540686560 562591236 /nfs/dbraw/zinc/59/12/36/562591236.db2.gz PVYVSXVXMOYYGC-FUHWJXTLSA-N 0 3 351.468 2.077 20 30 FEEDHN CC(C)c1n[nH]c(CC2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)n1 ZINC000602866889 568008431 /nfs/dbraw/zinc/00/84/31/568008431.db2.gz TYBBHTHPXDMPDF-AWEZNQCLSA-N 0 3 358.490 2.134 20 30 FEEDHN CC(C)c1nc(CC2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)n[nH]1 ZINC000602866889 568008433 /nfs/dbraw/zinc/00/84/33/568008433.db2.gz TYBBHTHPXDMPDF-AWEZNQCLSA-N 0 3 358.490 2.134 20 30 FEEDHN CC(C)c1nnc(CC2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)[nH]1 ZINC000602866889 568008435 /nfs/dbraw/zinc/00/84/35/568008435.db2.gz TYBBHTHPXDMPDF-AWEZNQCLSA-N 0 3 358.490 2.134 20 30 FEEDHN C=CC(C)(C)CCNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000636781234 568059027 /nfs/dbraw/zinc/05/90/27/568059027.db2.gz KYBIZOBLZFKLKG-UHFFFAOYSA-N 0 3 358.486 2.133 20 30 FEEDHN CN1CC[C@H](NCc2cnc3c(C#N)cnn3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569811152 568426697 /nfs/dbraw/zinc/42/66/97/568426697.db2.gz NHQCHIMCTMYYQI-ROUUACIJSA-N 0 3 368.391 2.414 20 30 FEEDHN N#CCCCC[NH+]1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737687764 598355324 /nfs/dbraw/zinc/35/53/24/598355324.db2.gz LTYZNPFADBENJO-UHFFFAOYSA-N 0 3 353.430 2.211 20 30 FEEDHN N#CCCCC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737687764 598355325 /nfs/dbraw/zinc/35/53/25/598355325.db2.gz LTYZNPFADBENJO-UHFFFAOYSA-N 0 3 353.430 2.211 20 30 FEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@@H+](C)CCCC ZINC000735420681 598783247 /nfs/dbraw/zinc/78/32/47/598783247.db2.gz PULVLKHIBBVQHR-UHFFFAOYSA-N 0 3 371.489 2.296 20 30 FEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@H+](C)CCCC ZINC000735420681 598783248 /nfs/dbraw/zinc/78/32/48/598783248.db2.gz PULVLKHIBBVQHR-UHFFFAOYSA-N 0 3 371.489 2.296 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+](C)CCCC ZINC000735420681 598783249 /nfs/dbraw/zinc/78/32/49/598783249.db2.gz PULVLKHIBBVQHR-UHFFFAOYSA-N 0 3 371.489 2.296 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+](C)CCCC ZINC000735420681 598783250 /nfs/dbraw/zinc/78/32/50/598783250.db2.gz PULVLKHIBBVQHR-UHFFFAOYSA-N 0 3 371.489 2.296 20 30 FEEDHN COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826176929 608492950 /nfs/dbraw/zinc/49/29/50/608492950.db2.gz KGUOTOIYGCUWEN-ZDUSSCGKSA-N 0 3 364.409 2.477 20 30 FEEDHN COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826176929 608492951 /nfs/dbraw/zinc/49/29/51/608492951.db2.gz KGUOTOIYGCUWEN-ZDUSSCGKSA-N 0 3 364.409 2.477 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3snc(C)c3C#N)C2)CC1 ZINC000562701905 674789908 /nfs/dbraw/zinc/78/99/08/674789908.db2.gz IWPYQAPMDMBQNB-INIZCTEOSA-N 0 3 361.515 2.094 20 30 FEEDHN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000815082454 674914104 /nfs/dbraw/zinc/91/41/04/674914104.db2.gz RRYVACNXYHWWAH-UHFFFAOYSA-N 0 3 365.318 2.052 20 30 FEEDHN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000815082454 674914108 /nfs/dbraw/zinc/91/41/08/674914108.db2.gz RRYVACNXYHWWAH-UHFFFAOYSA-N 0 3 365.318 2.052 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000815083020 674914487 /nfs/dbraw/zinc/91/44/87/674914487.db2.gz LGWPEZSGFOESNB-UHFFFAOYSA-N 0 3 352.500 2.360 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000564207496 674984024 /nfs/dbraw/zinc/98/40/24/674984024.db2.gz DFWZFDNMKDTCCT-QMMMGPOBSA-N 0 3 368.260 2.860 20 30 FEEDHN CCS(=O)(=O)N1CCC(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000054734275 670340619 /nfs/dbraw/zinc/34/06/19/670340619.db2.gz YUIXOQNVTPNQDP-ZDUSSCGKSA-N 0 3 361.423 2.066 20 30 FEEDHN COc1cc(Br)ccc1[C@@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000566124974 675183751 /nfs/dbraw/zinc/18/37/51/675183751.db2.gz MCSOLCRJZGKAGN-TZMCWYRMSA-N 0 3 370.291 2.315 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)C2CCC2)nc1C ZINC000817912303 675186051 /nfs/dbraw/zinc/18/60/51/675186051.db2.gz ORRYBHCCCMHRNH-JTQLQIEISA-N 0 3 364.500 2.251 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000118518891 671886250 /nfs/dbraw/zinc/88/62/50/671886250.db2.gz UKLRRKAJNDNPMU-MRXNPFEDSA-N 0 3 355.265 2.488 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000119919203 671912677 /nfs/dbraw/zinc/91/26/77/671912677.db2.gz IYIOQSYWGZNHGE-DOMZBBRYSA-N 0 3 352.431 2.415 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000173938613 672355901 /nfs/dbraw/zinc/35/59/01/672355901.db2.gz FCZHHJOLFXMGFM-LBPRGKRZSA-N 0 3 362.455 2.233 20 30 FEEDHN COc1ccc(Br)cc1CC(=O)C(C#N)C(=O)NC(C)C ZINC000173984626 672356704 /nfs/dbraw/zinc/35/67/04/672356704.db2.gz RKZUKTCJWAJKQI-LBPRGKRZSA-N 0 3 353.216 2.234 20 30 FEEDHN C=CCNc1nnc(SC[C@@H](O)CN(C)Cc2ccccc2)s1 ZINC000588690326 672472859 /nfs/dbraw/zinc/47/28/59/672472859.db2.gz WMICMSHTAKAQDA-AWEZNQCLSA-N 0 3 350.513 2.721 20 30 FEEDHN N#Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCN2CCCO)c(Cl)c1 ZINC000590774137 672615968 /nfs/dbraw/zinc/61/59/68/672615968.db2.gz WHFNZARAEAIGML-LBPRGKRZSA-N 0 3 356.253 2.442 20 30 FEEDHN COc1cccc([C@@H]2C[C@H]2NCCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000591769826 672709792 /nfs/dbraw/zinc/70/97/92/672709792.db2.gz KJNWAAUCRSZBGU-RBUKOAKNSA-N 0 3 356.447 2.486 20 30 FEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000195281272 672780746 /nfs/dbraw/zinc/78/07/46/672780746.db2.gz AETVYTPOQAWRCU-VXGBXAGGSA-N 0 3 354.332 2.003 20 30 FEEDHN N#Cc1cnn2c1NC[C@H](CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C2 ZINC000592505077 672809472 /nfs/dbraw/zinc/80/94/72/672809472.db2.gz RHUKDSLXUSQTBJ-IEBDPFPHSA-N 0 3 367.297 2.469 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@](C)(O)CO)cc1OCC ZINC000684539320 672939824 /nfs/dbraw/zinc/93/98/24/672939824.db2.gz XPVRYWJPLTVMME-INIZCTEOSA-N 0 3 374.275 2.246 20 30 FEEDHN N#Cc1sccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000593565840 672945021 /nfs/dbraw/zinc/94/50/21/672945021.db2.gz AEGKELUHWHHBCO-TZMCWYRMSA-N 0 3 351.497 2.257 20 30 FEEDHN O=C(CCNC(=O)N1CCN(C2CCCC2)CC1)N1CCCCCC1 ZINC000328801200 673066875 /nfs/dbraw/zinc/06/68/75/673066875.db2.gz JANLMHOVTFXMNR-UHFFFAOYSA-N 0 3 350.507 2.253 20 30 FEEDHN CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594428532 673070792 /nfs/dbraw/zinc/07/07/92/673070792.db2.gz YVRKBAYXZPREFE-MRXNPFEDSA-N 0 3 366.487 2.115 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NCCOc1ccc(Br)cc1 ZINC000594432085 673071434 /nfs/dbraw/zinc/07/14/34/673071434.db2.gz XITCDDDHPJXRES-CQSZACIVSA-N 0 3 354.248 2.355 20 30 FEEDHN COC(=O)[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)c(F)c1 ZINC000594443186 673072482 /nfs/dbraw/zinc/07/24/82/673072482.db2.gz NOULRQZQKDBRFJ-KGLIPLIRSA-N 0 3 355.797 2.221 20 30 FEEDHN O=C(CC1CCCC1)NCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000329636066 673081077 /nfs/dbraw/zinc/08/10/77/673081077.db2.gz YAZOLDCUVFZRSF-UHFFFAOYSA-N 0 3 351.491 2.094 20 30 FEEDHN COCCN(CCC#N)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000728449044 673201267 /nfs/dbraw/zinc/20/12/67/673201267.db2.gz ARRSBFHXYZUUDV-UHFFFAOYSA-N 0 3 360.527 2.388 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC000543348569 673641126 /nfs/dbraw/zinc/64/11/26/673641126.db2.gz CRZNQZRJCRLPQV-UHFFFAOYSA-N 0 3 350.507 2.116 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(SC)cc1 ZINC000741110512 673670975 /nfs/dbraw/zinc/67/09/75/673670975.db2.gz FPFZPVHSFGFOGS-WFASDCNBSA-N 0 3 350.440 2.037 20 30 FEEDHN COc1cc(NC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c(F)cc1C#N ZINC000599813947 673720076 /nfs/dbraw/zinc/72/00/76/673720076.db2.gz BOQIGJMZEQXKDJ-DZGCQCFKSA-N 0 3 352.435 2.215 20 30 FEEDHN CSc1nnc(CCCNC(=O)[C@H](N)CCCC#N)n1C1CCCC1 ZINC000600761631 673797275 /nfs/dbraw/zinc/79/72/75/673797275.db2.gz ODFBSFNIQKWLSM-CQSZACIVSA-N 0 3 364.519 2.185 20 30 FEEDHN COc1ccc(CN(CCN2CCOCC2)[C@H]2CCSC2)cc1C#N ZINC000602880208 673912264 /nfs/dbraw/zinc/91/22/64/673912264.db2.gz FORJCNUXVMDPTK-SFHVURJKSA-N 0 3 361.511 2.207 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000818595929 675227040 /nfs/dbraw/zinc/22/70/40/675227040.db2.gz UIXCVUINUVWGIN-UHFFFAOYSA-N 0 3 358.423 2.403 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000818595693 675227111 /nfs/dbraw/zinc/22/71/11/675227111.db2.gz KBUNUGQUABJMCA-LBPRGKRZSA-N 0 3 370.280 2.183 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Oc1ccccc1Br ZINC000818602759 675227813 /nfs/dbraw/zinc/22/78/13/675227813.db2.gz COHXEGUBBGVQFW-CYBMUJFWSA-N 0 3 353.260 2.288 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000818609460 675228590 /nfs/dbraw/zinc/22/85/90/675228590.db2.gz YOBWOOOYTMOCJO-UHFFFAOYSA-N 0 3 357.435 2.224 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1ccc(Cl)cc1F ZINC000820750144 675384945 /nfs/dbraw/zinc/38/49/45/675384945.db2.gz LAQUQOXGWRRHFE-YOEHRIQHSA-N 0 3 367.852 2.299 20 30 FEEDHN N#CCSCCC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822814081 675508682 /nfs/dbraw/zinc/50/86/82/675508682.db2.gz BGBMIEYCCCBXPU-UHFFFAOYSA-N 0 3 358.471 2.357 20 30 FEEDHN C=CCOc1c(Cl)cc(CNC[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000623346991 676530387 /nfs/dbraw/zinc/53/03/87/676530387.db2.gz KLVBXQUDZIXEBM-LBPRGKRZSA-N 0 3 359.875 2.438 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@]1(O)CCCOC1 ZINC000656695001 677806868 /nfs/dbraw/zinc/80/68/68/677806868.db2.gz YSYVEQJHDVMSOP-SFHVURJKSA-N 0 3 366.531 2.126 20 30 FEEDHN C=CCC1(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CCCC1 ZINC000661848296 678541816 /nfs/dbraw/zinc/54/18/16/678541816.db2.gz KEGLDCYMRVPAEN-UHFFFAOYSA-N 0 3 361.471 2.044 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000836488765 680476285 /nfs/dbraw/zinc/47/62/85/680476285.db2.gz ZUJQBNNSZDZVNF-UHFFFAOYSA-N 0 3 362.905 2.122 20 30 FEEDHN CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(Br)cc1[O-] ZINC000756828708 680500196 /nfs/dbraw/zinc/50/01/96/680500196.db2.gz GABZLBFKBFPUBZ-UHFFFAOYSA-N 0 3 373.320 2.295 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](Nc3nc(Cl)c(C#N)s3)C2)C1 ZINC001043516330 680585366 /nfs/dbraw/zinc/58/53/66/680585366.db2.gz DJNDAXUDWMASNW-IJLUTSLNSA-N 0 3 367.906 2.269 20 30 FEEDHN C[C@H](C(=O)N(C)CC(=O)C(C#N)c1nc(C2CC2)cs1)n1cccn1 ZINC000842942760 680976448 /nfs/dbraw/zinc/97/64/48/680976448.db2.gz MECZPGFPYOFPKD-DGCLKSJQSA-N 0 3 357.439 2.113 20 30 FEEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C ZINC000773980440 681163369 /nfs/dbraw/zinc/16/33/69/681163369.db2.gz SNXDARDQMJMTQW-SECBINFHSA-N 0 3 350.737 2.182 20 30 FEEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C ZINC000773980441 681163415 /nfs/dbraw/zinc/16/34/15/681163415.db2.gz SNXDARDQMJMTQW-VIFPVBQESA-N 0 3 350.737 2.182 20 30 FEEDHN C#CCN1CCN(C(=O)CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)CC1 ZINC000776026562 681357289 /nfs/dbraw/zinc/35/72/89/681357289.db2.gz OQJWFPRRUWGZOA-MOXGXCLJSA-N 0 3 359.901 2.404 20 30 FEEDHN C#CCOc1cccc(Cl)c1CNCCCN(CC)S(C)(=O)=O ZINC000778159966 681581641 /nfs/dbraw/zinc/58/16/41/681581641.db2.gz REXGUGQANBHWSZ-UHFFFAOYSA-N 0 3 358.891 2.113 20 30 FEEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000778176280 681582854 /nfs/dbraw/zinc/58/28/54/681582854.db2.gz HVCAYRLCBFLXJV-BBRMVZONSA-N 0 3 370.902 2.160 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)CN(CCC)CCO2 ZINC000949489767 681643609 /nfs/dbraw/zinc/64/36/09/681643609.db2.gz PGKTWODXMCTICN-ROUUACIJSA-N 0 3 350.503 2.461 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000849394996 681712220 /nfs/dbraw/zinc/71/22/20/681712220.db2.gz LGJGBFQDRXWDGQ-UHFFFAOYSA-N 0 3 361.492 2.315 20 30 FEEDHN N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000849460307 681746401 /nfs/dbraw/zinc/74/64/01/681746401.db2.gz AINGORDHSJUJRZ-ZDUSSCGKSA-N 0 3 351.447 2.383 20 30 FEEDHN COC(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)CC1 ZINC000850758505 681956675 /nfs/dbraw/zinc/95/66/75/681956675.db2.gz AEWRZSFTJIGJLN-LBPRGKRZSA-N 0 3 363.801 2.466 20 30 FEEDHN COc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)c(Br)c1 ZINC000850758247 681956705 /nfs/dbraw/zinc/95/67/05/681956705.db2.gz BNUGVTGFYLPQJG-ZDUSSCGKSA-N 0 3 365.227 2.378 20 30 FEEDHN CCCCCCCC[C@@H](C)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000850836707 681966312 /nfs/dbraw/zinc/96/63/12/681966312.db2.gz ROKGXTPLGVZFBD-CVEARBPZSA-N 0 3 370.515 2.339 20 30 FEEDHN CCCCCCCC[C@@H](C)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000850836709 681966516 /nfs/dbraw/zinc/96/65/16/681966516.db2.gz ROKGXTPLGVZFBD-HZPDHXFCSA-N 0 3 370.515 2.339 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C)(NCc2snnc2C)CC1 ZINC000940373142 682052245 /nfs/dbraw/zinc/05/22/45/682052245.db2.gz FKUZQXKCPAPRJG-HOCLYGCPSA-N 0 3 364.515 2.298 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3csc(C)n3)C[C@H]21 ZINC000962025443 682107437 /nfs/dbraw/zinc/10/74/37/682107437.db2.gz UNUAJQLTSUFFPN-AVEIZBFRSA-N 0 3 361.511 2.022 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000916871752 685528428 /nfs/dbraw/zinc/52/84/28/685528428.db2.gz XFZIZGCHPIOIRA-WFASDCNBSA-N 0 3 350.440 2.037 20 30 FEEDHN C#C[C@](C)(CC)NCC(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000852098646 682220038 /nfs/dbraw/zinc/22/00/38/682220038.db2.gz RVEFZXCWAYLRDA-GOSISDBHSA-N 0 3 354.397 2.347 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000852127933 682224554 /nfs/dbraw/zinc/22/45/54/682224554.db2.gz ZBBOHSNMHFKYOG-OAHLLOKOSA-N 0 3 357.376 2.087 20 30 FEEDHN COC[C@H](C#N)OC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000785225686 682281312 /nfs/dbraw/zinc/28/13/12/682281312.db2.gz QQWIANKTOBAZPC-WDEREUQCSA-N 0 3 357.193 2.428 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]21 ZINC000972340670 682408022 /nfs/dbraw/zinc/40/80/22/682408022.db2.gz YEKWBYWBLULEFF-OAGGEKHMSA-N 0 3 369.937 2.411 20 30 FEEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)CC(C)(C)C#N ZINC000790031536 682649392 /nfs/dbraw/zinc/64/93/92/682649392.db2.gz MLGNPIHLZBEOSR-UHFFFAOYSA-N 0 3 357.442 2.462 20 30 FEEDHN C[C@@H]1c2nncn2CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000792378751 682807495 /nfs/dbraw/zinc/80/74/95/682807495.db2.gz CMLZXOMNMFHOLX-NEPJUHHUSA-N 0 3 352.423 2.141 20 30 FEEDHN N#CCCNC(=O)CN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000796600593 683175875 /nfs/dbraw/zinc/17/58/75/683175875.db2.gz OBIQUHMAQAUMDC-MRXNPFEDSA-N 0 3 355.360 2.026 20 30 FEEDHN CN1CCN(C2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)CC1 ZINC000866213154 684083723 /nfs/dbraw/zinc/08/37/23/684083723.db2.gz MNDOODRFJATSHD-UHFFFAOYSA-N 0 3 358.877 2.076 20 30 FEEDHN N#Cc1sccc1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000910464092 685060689 /nfs/dbraw/zinc/06/06/89/685060689.db2.gz VKFRYTTXENJCIY-UHFFFAOYSA-N 0 3 355.463 2.377 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000875622173 686050504 /nfs/dbraw/zinc/05/05/04/686050504.db2.gz FDGUYKCPFHLPIW-OAHLLOKOSA-N 0 3 352.360 2.416 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000876546898 686217186 /nfs/dbraw/zinc/21/71/86/686217186.db2.gz ZQVOCCKJSNUOJK-HNNXBMFYSA-N 0 3 371.890 2.270 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000876626939 686231418 /nfs/dbraw/zinc/23/14/18/686231418.db2.gz MJKPRUYZHRWHPY-CYBMUJFWSA-N 0 3 374.243 2.233 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000876655258 686237448 /nfs/dbraw/zinc/23/74/48/686237448.db2.gz XZKRZZXWWQVBRL-QGZVFWFLSA-N 0 3 352.862 2.468 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000876890482 686288144 /nfs/dbraw/zinc/28/81/44/686288144.db2.gz AIIMLIFLZFSEBZ-CABCVRRESA-N 0 3 371.815 2.042 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000876894208 686288978 /nfs/dbraw/zinc/28/89/78/686288978.db2.gz MFWODAJAFPRGLP-CHWSQXEVSA-N 0 3 360.216 2.171 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000876896365 686289851 /nfs/dbraw/zinc/28/98/51/686289851.db2.gz BFGVWTWQCAKFKU-ZDUSSCGKSA-N 0 3 365.890 2.118 20 30 FEEDHN C#CCC1(O)CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000880479232 687052355 /nfs/dbraw/zinc/05/23/55/687052355.db2.gz MUGPBGYWGLBDDR-HNNXBMFYSA-N 0 3 357.372 2.295 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000884134830 687797213 /nfs/dbraw/zinc/79/72/13/687797213.db2.gz SZKXDRUDTJPSJO-KSWWMYJESA-N 0 3 368.264 2.282 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1nc(-c3ccc(F)cc3)ns1)C2 ZINC000884136193 687798161 /nfs/dbraw/zinc/79/81/61/687798161.db2.gz FPNUBHOYKMMTEZ-JKGQDXBKSA-N 0 3 357.414 2.422 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)C2 ZINC000884144986 687799936 /nfs/dbraw/zinc/79/99/36/687799936.db2.gz ZLNRWUNMDKORPZ-BBHKVMKQSA-N 0 3 368.264 2.282 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F)C2 ZINC000884400572 687863508 /nfs/dbraw/zinc/86/35/08/687863508.db2.gz LZVWUAJDAPPOJK-ZWLBXZKKSA-N 0 3 359.392 2.132 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C2 ZINC000884449248 687873625 /nfs/dbraw/zinc/87/36/25/687873625.db2.gz ZPHYXWFAODIZQE-KVNFHXPGSA-N 0 3 359.857 2.426 20 30 FEEDHN C#CCN1CCC[C@@H]([NH2+]Cc2cc(Br)c([O-])c(OC)c2)C1 ZINC000886212879 688214374 /nfs/dbraw/zinc/21/43/74/688214374.db2.gz HLLZBKFERXUUSD-CYBMUJFWSA-N 0 3 353.260 2.351 20 30 FEEDHN C#CCN(C(=O)c1cnc(OC)c(Br)c1)C1CCN(C)CC1 ZINC000886574667 688278038 /nfs/dbraw/zinc/27/80/38/688278038.db2.gz OFXANBASLXAUEV-UHFFFAOYSA-N 0 3 366.259 2.022 20 30 FEEDHN C#CCN(C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C1CCN(C)CC1 ZINC000886587382 688280041 /nfs/dbraw/zinc/28/00/41/688280041.db2.gz UILSSHRZFFOWHB-ZDUSSCGKSA-N 0 3 357.479 2.289 20 30 FEEDHN COC(=O)[C@H]1[C@@H](CNC2(c3cccc(C#N)c3)CCOCC2)C1(F)F ZINC000895277034 689689133 /nfs/dbraw/zinc/68/91/33/689689133.db2.gz BPSIHKHXFCCACT-HUUCEWRRSA-N 0 3 350.365 2.208 20 30 FEEDHN C#C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1ccc(Cl)cc1 ZINC000895684893 689754377 /nfs/dbraw/zinc/75/43/77/689754377.db2.gz GTAAGTPSEGCHAX-BZSNNMDCSA-N 0 3 361.873 2.255 20 30 FEEDHN N#Cc1cc(Br)ccc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897221574 689990382 /nfs/dbraw/zinc/99/03/82/689990382.db2.gz NISASRCRIZRKHQ-HOTGVXAUSA-N 0 3 350.260 2.356 20 30 FEEDHN Cc1ccc(CN2CC[C@H](CN(C)S(=O)(=O)CCCC#N)C2)s1 ZINC000907347926 691458988 /nfs/dbraw/zinc/45/89/88/691458988.db2.gz XQIDMPOTYJQGDG-OAHLLOKOSA-N 0 3 355.529 2.444 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cnc(NC(=O)OC(C)(C)C)s1 ZINC000908436242 691678465 /nfs/dbraw/zinc/67/84/65/691678465.db2.gz FPKZDAFUJCNZIQ-UHFFFAOYSA-N 0 3 352.460 2.175 20 30 FEEDHN CNC(=O)CN1CCCC12CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164690032 719740548 /nfs/dbraw/zinc/74/05/48/719740548.db2.gz PYIOLYAOBFVQFX-UHFFFAOYSA-N 0 3 367.497 2.013 20 30 FEEDHN N#Cc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc12 ZINC001164746442 720759604 /nfs/dbraw/zinc/75/96/04/720759604.db2.gz YECNTQCOEOQBAD-IAGOWNOFSA-N 0 3 372.432 2.238 20 30 FEEDHN Cc1nc(C#N)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164908695 721566048 /nfs/dbraw/zinc/56/60/48/721566048.db2.gz RSGYJWDXFRNHDH-FUHWJXTLSA-N 0 3 353.401 2.138 20 30 FEEDHN COCCNc1nnc(SCC(=O)C(C#N)c2nc(C)cs2)s1 ZINC000007837166 539469287 /nfs/dbraw/zinc/46/92/87/539469287.db2.gz QCNQRHZWDPQCRP-SECBINFHSA-N 0 3 369.497 2.330 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CNCc1ccc(C(=O)NC)cc1 ZINC000028920182 539839889 /nfs/dbraw/zinc/83/98/89/539839889.db2.gz RASYUSIDVGTHQE-LJQANCHMSA-N 0 3 354.450 2.304 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000042393341 540062592 /nfs/dbraw/zinc/06/25/92/540062592.db2.gz VVZZZWRPHMDHSR-RTBURBONSA-N 0 3 361.530 2.450 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc2sccn2c1=O)C(C)C ZINC000046049138 540239148 /nfs/dbraw/zinc/23/91/48/540239148.db2.gz RPUGIDUDZWKZFL-OAHLLOKOSA-N 0 3 360.483 2.184 20 30 FEEDHN CCN1CCN(CCCCNC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000046754015 540269550 /nfs/dbraw/zinc/26/95/50/540269550.db2.gz RMQVKIQNIFIWSL-QGZVFWFLSA-N 0 3 357.502 2.336 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000047258560 540298700 /nfs/dbraw/zinc/29/87/00/540298700.db2.gz XPZBHOGFLJJMKZ-UHFFFAOYSA-N 0 3 364.453 2.304 20 30 FEEDHN CC[NH+](CC)CCC[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000052818784 540491037 /nfs/dbraw/zinc/49/10/37/540491037.db2.gz DZWJMRCHVZXKOL-AWEZNQCLSA-N 0 3 360.502 2.423 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCNC(=O)OC(C)(C)C ZINC000065931061 541272999 /nfs/dbraw/zinc/27/29/99/541272999.db2.gz QEBBCADKIGFEKL-UHFFFAOYSA-N 0 3 374.485 2.363 20 30 FEEDHN C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)N1CCC(C)CC1 ZINC000066241318 541294755 /nfs/dbraw/zinc/29/47/55/541294755.db2.gz FMEGFUFZNUPKDJ-HNNXBMFYSA-N 0 3 366.469 2.176 20 30 FEEDHN C[C@@H]1CN(C2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000066561494 541336795 /nfs/dbraw/zinc/33/67/95/541336795.db2.gz SVQZLRYWLZQTCM-MRXNPFEDSA-N 0 3 356.470 2.072 20 30 FEEDHN C#CCOc1ccccc1CNCc1cccnc1N1CCN(C)CC1 ZINC000066877054 541385039 /nfs/dbraw/zinc/38/50/39/541385039.db2.gz XNFJDLPWUWKDJZ-UHFFFAOYSA-N 0 3 350.466 2.135 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@H]2C1 ZINC000542839635 541484458 /nfs/dbraw/zinc/48/44/58/541484458.db2.gz IQTSYVBHWZPNDX-GUYCJALGSA-N 0 3 368.416 2.441 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccccc1C#N ZINC000068309836 541574853 /nfs/dbraw/zinc/57/48/53/541574853.db2.gz QZONJCOHFIBWIG-UHFFFAOYSA-N 0 3 362.433 2.399 20 30 FEEDHN CCN1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000069156549 541663962 /nfs/dbraw/zinc/66/39/62/541663962.db2.gz ASHFTUVTDFMWGO-UHFFFAOYSA-N 0 3 356.470 2.268 20 30 FEEDHN CC(C)N1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000069988766 541730076 /nfs/dbraw/zinc/73/00/76/541730076.db2.gz LIXVKXNSLOVRPE-UHFFFAOYSA-N 0 3 372.469 2.250 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC=O)cc1 ZINC000073108009 541918802 /nfs/dbraw/zinc/91/88/02/541918802.db2.gz NMKGIIHRQOQRCP-UHFFFAOYSA-N 0 3 350.422 2.331 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000074494197 542089839 /nfs/dbraw/zinc/08/98/39/542089839.db2.gz BKIGFOQDRRTHLP-SFHVURJKSA-N 0 3 355.486 2.264 20 30 FEEDHN CCN1CCN(CCC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000075536209 542186441 /nfs/dbraw/zinc/18/64/41/542186441.db2.gz AJARLTZONXQSRU-UXHICEINSA-N 0 3 354.498 2.312 20 30 FEEDHN C#CCOc1cccc(NC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000077466039 542384885 /nfs/dbraw/zinc/38/48/85/542384885.db2.gz WULYQOOQVKSRSD-UHFFFAOYSA-N 0 3 357.454 2.275 20 30 FEEDHN CC(C)N1CC[C@H](NCC(=O)NCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000801956575 674156760 /nfs/dbraw/zinc/15/67/60/674156760.db2.gz POZFYEFQDSGGED-WMZOPIPTSA-N 0 3 350.413 2.108 20 30 FEEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089769305 542769758 /nfs/dbraw/zinc/76/97/58/542769758.db2.gz GKAASAVARMLRJF-IBGZPJMESA-N 0 3 351.450 2.421 20 30 FEEDHN COCCCNC(=O)C1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000092362059 542860013 /nfs/dbraw/zinc/86/00/13/542860013.db2.gz FZGUKZFPCSLETL-UHFFFAOYSA-N 0 3 372.513 2.401 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000092806328 542887958 /nfs/dbraw/zinc/88/79/58/542887958.db2.gz QPSDBRXLRWSIQP-HNNXBMFYSA-N 0 3 350.850 2.340 20 30 FEEDHN N#Cc1ccccc1OCC(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000093079986 542907885 /nfs/dbraw/zinc/90/78/85/542907885.db2.gz ICUKRXWNFPHNTP-UHFFFAOYSA-N 0 3 353.426 2.258 20 30 FEEDHN CCN1CCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000104138179 543124305 /nfs/dbraw/zinc/12/43/05/543124305.db2.gz IWGHOVHDDFROSS-HXUWFJFHSA-N 0 3 354.498 2.467 20 30 FEEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000104529824 543134070 /nfs/dbraw/zinc/13/40/70/543134070.db2.gz GXYURJLXYCNBPK-UHFFFAOYSA-N 0 3 350.850 2.196 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000106037251 543186089 /nfs/dbraw/zinc/18/60/89/543186089.db2.gz AJEXAHVJQBAPQR-LJQANCHMSA-N 0 3 369.509 2.234 20 30 FEEDHN N#C[C@@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCO1 ZINC000106324248 543222804 /nfs/dbraw/zinc/22/28/04/543222804.db2.gz IIGHMZFXPVJIBA-QGZVFWFLSA-N 0 3 360.483 2.034 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CNC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000106290703 543221706 /nfs/dbraw/zinc/22/17/06/543221706.db2.gz FCTMEAOWKQETQG-UHFFFAOYSA-N 0 3 355.482 2.062 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)COc2cccc(C)c2)CC1 ZINC000106340604 543223940 /nfs/dbraw/zinc/22/39/40/543223940.db2.gz RHSJCLOIGDYQTM-SFHVURJKSA-N 0 3 361.486 2.074 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(OCC)cc2C)CC1 ZINC000106348995 543224873 /nfs/dbraw/zinc/22/48/73/543224873.db2.gz HXVKYDQRRIWKFW-UHFFFAOYSA-N 0 3 359.470 2.489 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000108278041 543284842 /nfs/dbraw/zinc/28/48/42/543284842.db2.gz KHWSIIZXPXRKJK-CQSZACIVSA-N 0 3 374.510 2.393 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000108929958 543308388 /nfs/dbraw/zinc/30/83/88/543308388.db2.gz AVCDJLSXVZIYPX-UHFFFAOYSA-N 0 3 359.901 2.329 20 30 FEEDHN CN1CCC2(CC1)C[C@@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1O2 ZINC000109139798 543315441 /nfs/dbraw/zinc/31/54/41/543315441.db2.gz ZCJAZJIJYJJEDV-QGZVFWFLSA-N 0 3 369.465 2.411 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H](N(C)C)C2)cc1 ZINC000109809212 543339997 /nfs/dbraw/zinc/33/99/97/543339997.db2.gz NNLCRNXNFCEKMX-SFHVURJKSA-N 0 3 358.486 2.358 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC000110696111 543365532 /nfs/dbraw/zinc/36/55/32/543365532.db2.gz CYYQJXJPZFPFSA-UHFFFAOYSA-N 0 3 367.449 2.388 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCN1CCOC ZINC000111865097 543421880 /nfs/dbraw/zinc/42/18/80/543421880.db2.gz ZZJMWJAYEKBFDF-LJQANCHMSA-N 0 3 356.470 2.367 20 30 FEEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCN1CCCC1=O ZINC000112703773 543458707 /nfs/dbraw/zinc/45/87/07/543458707.db2.gz CKCKAJAKJZZVSQ-UHFFFAOYSA-N 0 3 374.510 2.381 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc2cc(C)ccn2c1=O)C(C)C ZINC000112919899 543468444 /nfs/dbraw/zinc/46/84/44/543468444.db2.gz YJHYKZPVJFFQCZ-GOSISDBHSA-N 0 3 368.481 2.431 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)oc2nc[nH]c(=O)c21)C(C)C ZINC000112919907 543468467 /nfs/dbraw/zinc/46/84/67/543468467.db2.gz CYVBPCVXNOTIJQ-CQSZACIVSA-N 0 3 358.442 2.253 20 30 FEEDHN C#CCOc1ccc(CNCc2cccnc2N2CCN(C)CC2)cc1 ZINC000113329306 543484571 /nfs/dbraw/zinc/48/45/71/543484571.db2.gz YLEANTJNLMEMPE-UHFFFAOYSA-N 0 3 350.466 2.135 20 30 FEEDHN N#Cc1ccc([C@H](NCC2(N3CCSCC3)CCCC2)C(N)=O)cc1 ZINC000115596896 543577096 /nfs/dbraw/zinc/57/70/96/543577096.db2.gz FLMPCFJJZOQILM-KRWDZBQOSA-N 0 3 358.511 2.036 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000116450695 543609091 /nfs/dbraw/zinc/60/90/91/543609091.db2.gz MFJMSBAVKKNSOL-LJQANCHMSA-N 0 3 373.497 2.316 20 30 FEEDHN CC(C)N(C)CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000118122950 543646636 /nfs/dbraw/zinc/64/66/36/543646636.db2.gz RVRKDZDDRZLOHZ-AWEZNQCLSA-N 0 3 362.499 2.333 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@@H](C)O1 ZINC000118894251 543661989 /nfs/dbraw/zinc/66/19/89/543661989.db2.gz VWOIDZKMBNDRNM-HZPDHXFCSA-N 0 3 374.489 2.150 20 30 FEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000123810609 543784175 /nfs/dbraw/zinc/78/41/75/543784175.db2.gz GKKIFKIAGQWFQX-DLBZAZTESA-N 0 3 357.502 2.406 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])c1C#N ZINC000133367644 544266817 /nfs/dbraw/zinc/26/68/17/544266817.db2.gz QSTUCVNNKRAZRH-UHFFFAOYSA-N 0 3 374.426 2.316 20 30 FEEDHN C=C(C)COCCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000135022610 544331503 /nfs/dbraw/zinc/33/15/03/544331503.db2.gz FLFBCFPUCXWTQW-IRXDYDNUSA-N 0 3 353.507 2.110 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135188430 544337537 /nfs/dbraw/zinc/33/75/37/544337537.db2.gz NQISFHUHFGJAGD-UHFFFAOYSA-N 0 3 356.514 2.474 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000152168139 544621382 /nfs/dbraw/zinc/62/13/82/544621382.db2.gz AFRBAQNFTICGJY-FRIZHTMISA-N 0 3 358.490 2.304 20 30 FEEDHN CN(CCNC(=O)C1CCN(C(=O)C(C)(C)C#N)CC1)Cc1ccccc1 ZINC000152820580 544700013 /nfs/dbraw/zinc/70/00/13/544700013.db2.gz FAFQDFNCBBQTMA-UHFFFAOYSA-N 0 3 370.497 2.023 20 30 FEEDHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000154745414 544943457 /nfs/dbraw/zinc/94/34/57/544943457.db2.gz CLZQHBCJOWDEJM-UHFFFAOYSA-N 0 3 366.421 2.309 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)ccc1F ZINC000189394128 328145309 /nfs/dbraw/zinc/14/53/09/328145309.db2.gz RVVUURAEAUDWGM-INIZCTEOSA-N 0 3 358.417 2.113 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N(C)C ZINC000192546332 328324994 /nfs/dbraw/zinc/32/49/94/328324994.db2.gz IQAOGISJSXJIES-HNNXBMFYSA-N 0 3 361.490 2.146 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192972572 328349925 /nfs/dbraw/zinc/34/99/25/328349925.db2.gz FHLUODKCQYTSNI-OAHLLOKOSA-N 0 3 359.474 2.044 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000107639023 325631933 /nfs/dbraw/zinc/63/19/33/325631933.db2.gz RMNLCCMUFMRLDL-KRWDZBQOSA-N 0 3 357.454 2.423 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3C(C)C)CC2)o1 ZINC000117347488 326058243 /nfs/dbraw/zinc/05/82/43/326058243.db2.gz NTALZUZSHIPOEJ-QGZVFWFLSA-N 0 3 359.474 2.014 20 30 FEEDHN CCN(C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000118109543 326082288 /nfs/dbraw/zinc/08/22/88/326082288.db2.gz QASGLADOASAGHT-UHFFFAOYSA-N 0 3 366.421 2.357 20 30 FEEDHN CCC[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCN1CCOC ZINC000121969736 326378964 /nfs/dbraw/zinc/37/89/64/326378964.db2.gz KRIBKPYHHLXWBZ-LJQANCHMSA-N 0 3 358.486 2.320 20 30 FEEDHN CC(C)[NH+](CCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C ZINC000124321763 326451704 /nfs/dbraw/zinc/45/17/04/326451704.db2.gz YWESNPOOGMJASV-UHFFFAOYSA-N 0 3 368.459 2.254 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)CSc2ccc(C#N)cc2)ccn1 ZINC000124370774 326452639 /nfs/dbraw/zinc/45/26/39/326452639.db2.gz WZLZAXAXBMMZTI-UHFFFAOYSA-N 0 3 370.478 2.302 20 30 FEEDHN CCO[C@H]1C[C@@H](O)C12CCN(CCC(=O)Nc1sccc1C#N)CC2 ZINC000152761937 326715861 /nfs/dbraw/zinc/71/58/61/326715861.db2.gz ZGMWJYFADQULJD-CABCVRRESA-N 0 3 363.483 2.200 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)c1 ZINC000163931796 327061758 /nfs/dbraw/zinc/06/17/58/327061758.db2.gz KXDRAVCJEZICPV-KRWDZBQOSA-N 0 3 365.474 2.381 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000173568378 327267459 /nfs/dbraw/zinc/26/74/59/327267459.db2.gz ZPZGXWJQXAJXHK-KRWDZBQOSA-N 0 3 354.454 2.186 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)ccc1F ZINC000173630182 327272295 /nfs/dbraw/zinc/27/22/95/327272295.db2.gz BTRFPWMLXVONFO-CQSZACIVSA-N 0 3 351.447 2.194 20 30 FEEDHN CC[C@@]1(C)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000173779406 327283635 /nfs/dbraw/zinc/28/36/35/327283635.db2.gz VLVXKQCHMQARMO-IBGZPJMESA-N 0 3 359.474 2.015 20 30 FEEDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000174105263 327306602 /nfs/dbraw/zinc/30/66/02/327306602.db2.gz KTGAHBJZICDQBE-CYBMUJFWSA-N 0 3 374.422 2.096 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)c1C#N ZINC000174596528 327337206 /nfs/dbraw/zinc/33/72/06/327337206.db2.gz ZYZJWJWAVYCDHV-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1C#N ZINC000174856483 327355233 /nfs/dbraw/zinc/35/52/33/327355233.db2.gz KMQWPUZFBKSXMO-MRXNPFEDSA-N 0 3 364.449 2.442 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000176267172 327444767 /nfs/dbraw/zinc/44/47/67/327444767.db2.gz BKYMWJRNPKEAEI-GOSISDBHSA-N 0 3 361.511 2.140 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)c(Cl)c1 ZINC000269108819 329486493 /nfs/dbraw/zinc/48/64/93/329486493.db2.gz PRKBPJHEMDATDC-CQSZACIVSA-N 0 3 360.845 2.237 20 30 FEEDHN C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271800963 329726515 /nfs/dbraw/zinc/72/65/15/329726515.db2.gz JYWCXMFZOAMQSY-LIRRHRJNSA-N 0 3 373.478 2.193 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1CN(C)C ZINC000273514142 329870678 /nfs/dbraw/zinc/87/06/78/329870678.db2.gz RJYNXYQKTYFDKJ-UHFFFAOYSA-N 0 3 353.422 2.324 20 30 FEEDHN CN(C)C1(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CCC1 ZINC000275412856 330045960 /nfs/dbraw/zinc/04/59/60/330045960.db2.gz GJBYQPCTOOCMNW-UHFFFAOYSA-N 0 3 355.486 2.264 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000367110191 330217908 /nfs/dbraw/zinc/21/79/08/330217908.db2.gz WOUCEJNXAIXUTH-RXVVDRJESA-N 0 3 352.434 2.112 20 30 FEEDHN COCCN1CCC(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000416701454 330261768 /nfs/dbraw/zinc/26/17/68/330261768.db2.gz YJLFUHLDRCMMLX-LJQANCHMSA-N 0 3 356.470 2.346 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1F ZINC000805074400 674317059 /nfs/dbraw/zinc/31/70/59/674317059.db2.gz JIQVQNXJSZTKQV-ZQIUZPCESA-N 0 3 365.836 2.316 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000478472273 561167823 /nfs/dbraw/zinc/16/78/23/561167823.db2.gz QMACZZHFFHCJFC-UHFFFAOYSA-N 0 3 362.433 2.342 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000478485934 561168016 /nfs/dbraw/zinc/16/80/16/561168016.db2.gz FBCGLMGDBBYEAE-UHFFFAOYSA-N 0 3 350.422 2.243 20 30 FEEDHN C[C@H]1C[C@H](N(C)S(=O)(=O)N(C)CCC#N)CCN1Cc1ccccc1 ZINC000160003490 545999968 /nfs/dbraw/zinc/99/99/68/545999968.db2.gz SAVRIAWBNAVQCG-FUHWJXTLSA-N 0 3 364.515 2.062 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](C2OCCO2)C1)C(C)C ZINC000171628336 546215679 /nfs/dbraw/zinc/21/56/79/546215679.db2.gz VNWNXUNJEVEZIF-ROUUACIJSA-N 0 3 365.518 2.480 20 30 FEEDHN C=CCN1CCC(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000171725701 546221617 /nfs/dbraw/zinc/22/16/17/546221617.db2.gz RJZWYYQAYKWRNH-UHFFFAOYSA-N 0 3 370.280 2.490 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C(=O)NCCCC)CC[C@H]2C)CC1 ZINC000171741978 546222772 /nfs/dbraw/zinc/22/27/72/546222772.db2.gz APVIWSJFTAGBLW-IAGOWNOFSA-N 0 3 364.534 2.363 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C(CC)CC)N2CCOCC2)CC1 ZINC000173579632 546283527 /nfs/dbraw/zinc/28/35/27/546283527.db2.gz INKZJZZOSVRRKT-LJQANCHMSA-N 0 3 351.535 2.280 20 30 FEEDHN Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000174044959 546289610 /nfs/dbraw/zinc/28/96/10/546289610.db2.gz GNACSSNORDVIMV-YOEHRIQHSA-N 0 3 353.426 2.087 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(S(=O)(=O)CCCCC#N)CC2)C[C@@H](C)O1 ZINC000175664961 546330388 /nfs/dbraw/zinc/33/03/88/546330388.db2.gz YWIJOKUWEZOMKG-IAGOWNOFSA-N 0 3 371.547 2.221 20 30 FEEDHN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000175981096 546384447 /nfs/dbraw/zinc/38/44/47/546384447.db2.gz JRDMNGONNBPEEF-MRXNPFEDSA-N 0 3 358.417 2.113 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000176154106 546414141 /nfs/dbraw/zinc/41/41/41/546414141.db2.gz YSJZDDKXTNVJAG-OAHLLOKOSA-N 0 3 351.491 2.400 20 30 FEEDHN C=CCN1CCC(NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)CC1 ZINC000176267465 546425904 /nfs/dbraw/zinc/42/59/04/546425904.db2.gz FHBAOXPRUITJAB-UHFFFAOYSA-N 0 3 368.485 2.452 20 30 FEEDHN C[C@@](CO)(NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000177026659 546527017 /nfs/dbraw/zinc/52/70/17/546527017.db2.gz FPFMTFOOTKWEMQ-SFHVURJKSA-N 0 3 350.484 2.253 20 30 FEEDHN CC(C)(CNS(=O)(=O)Cc1ccc(C#N)cc1F)CN1CCCC1 ZINC000480757827 561216125 /nfs/dbraw/zinc/21/61/25/561216125.db2.gz MMNNMOOWIGAVAY-UHFFFAOYSA-N 0 3 353.463 2.239 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000177527782 546637941 /nfs/dbraw/zinc/63/79/41/546637941.db2.gz KTFMJIFHURLCPT-CQSZACIVSA-N 0 3 360.483 2.183 20 30 FEEDHN C=CC[C@H](CO)CN[C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481678198 561238506 /nfs/dbraw/zinc/23/85/06/561238506.db2.gz PHERRGJVFIZVTQ-SWLSCSKDSA-N 0 3 360.907 2.473 20 30 FEEDHN C=CCC[C@@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000180041889 547043131 /nfs/dbraw/zinc/04/31/31/547043131.db2.gz ZMIXEIUFRLQQNF-LJQANCHMSA-N 0 3 355.482 2.364 20 30 FEEDHN C[C@@H](NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000180134327 547056629 /nfs/dbraw/zinc/05/66/29/547056629.db2.gz ZHRSIIAEXUKEAN-QGZVFWFLSA-N 0 3 363.465 2.343 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180396331 547100751 /nfs/dbraw/zinc/10/07/51/547100751.db2.gz PAUMEUAHJNBFSI-QGZVFWFLSA-N 0 3 354.498 2.245 20 30 FEEDHN C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180539612 547127284 /nfs/dbraw/zinc/12/72/84/547127284.db2.gz QRIFWCCPIQUQNR-AUUYWEPGSA-N 0 3 373.478 2.193 20 30 FEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(OC(F)F)cc1 ZINC000180870567 547198333 /nfs/dbraw/zinc/19/83/33/547198333.db2.gz BJAINPKAJDNATD-YOJQOHNYSA-N 0 3 351.353 2.465 20 30 FEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(OC(F)F)c1 ZINC000180875595 547200862 /nfs/dbraw/zinc/20/08/62/547200862.db2.gz DUTACGZXXGRHAK-YOJQOHNYSA-N 0 3 351.353 2.465 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000181751944 547374636 /nfs/dbraw/zinc/37/46/36/547374636.db2.gz NEABUQJVIHWYFQ-JKSUJKDBSA-N 0 3 372.469 2.153 20 30 FEEDHN CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)N(C)C ZINC000181822507 547386907 /nfs/dbraw/zinc/38/69/07/547386907.db2.gz CFIDYLHPNSLOJQ-YOEHRIQHSA-N 0 3 374.485 2.399 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC(C)(C)O2)cc1 ZINC000483597017 561280447 /nfs/dbraw/zinc/28/04/47/561280447.db2.gz YLGBHXFTADBEAI-GXTWGEPZSA-N 0 3 365.455 2.451 20 30 FEEDHN COc1ccc([C@@H](CCO)NC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000182405580 547487569 /nfs/dbraw/zinc/48/75/69/547487569.db2.gz YTHVYVWNBFIWIU-FXAWDEMLSA-N 0 3 356.422 2.020 20 30 FEEDHN C[C@H](C#N)CNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000182591239 547518493 /nfs/dbraw/zinc/51/84/93/547518493.db2.gz BDTSEEIDSTXILM-GOSISDBHSA-N 0 3 357.502 2.043 20 30 FEEDHN C[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182622637 547523932 /nfs/dbraw/zinc/52/39/32/547523932.db2.gz SCAYGSURZXQGDK-LPHOPBHVSA-N 0 3 358.461 2.409 20 30 FEEDHN COCCOC[C@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182814619 547555756 /nfs/dbraw/zinc/55/57/56/547555756.db2.gz IQRAJTQMQLLJCZ-PKOBYXMFSA-N 0 3 357.454 2.039 20 30 FEEDHN C=C(C)CN(CC)C(=O)CN1CCC(CCCN2CCOCC2)CC1 ZINC000182976393 547582548 /nfs/dbraw/zinc/58/25/48/547582548.db2.gz APAYHNSFPISMGV-UHFFFAOYSA-N 0 3 351.535 2.235 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183684832 547701285 /nfs/dbraw/zinc/70/12/85/547701285.db2.gz MRBHKTNZVWZWDS-KBPBESRZSA-N 0 3 355.442 2.232 20 30 FEEDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000484654820 561302554 /nfs/dbraw/zinc/30/25/54/561302554.db2.gz SAVLGKNDVDSRHJ-RVKOJVRFSA-N 0 3 351.491 2.089 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000184618580 547855522 /nfs/dbraw/zinc/85/55/22/547855522.db2.gz ZNKFLEYHROHXQM-JKSUJKDBSA-N 0 3 358.442 2.284 20 30 FEEDHN C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000186494906 548143423 /nfs/dbraw/zinc/14/34/23/548143423.db2.gz ROLYTDYUTXFGLK-MGPUTAFESA-N 0 3 364.449 2.096 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000186585734 548155926 /nfs/dbraw/zinc/15/59/26/548155926.db2.gz YZWFYXQXJMHSSH-UHFFFAOYSA-N 0 3 372.517 2.159 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000188242021 548274534 /nfs/dbraw/zinc/27/45/34/548274534.db2.gz SYLYULBYSKTMSU-NRFANRHFSA-N 0 3 360.498 2.488 20 30 FEEDHN C=CCN(CCOC)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000191129963 548340272 /nfs/dbraw/zinc/34/02/72/548340272.db2.gz SFVZHVYJKCSWPC-GOSISDBHSA-N 0 3 359.514 2.290 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC[C@H]3CN(C)C)CC2)o1 ZINC000193153078 548381127 /nfs/dbraw/zinc/38/11/27/548381127.db2.gz MMVHGACPGKBSIW-INIZCTEOSA-N 0 3 359.474 2.014 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)CC1 ZINC000194608666 548505118 /nfs/dbraw/zinc/50/51/18/548505118.db2.gz PVGOFUYTRUIBCZ-IAGOWNOFSA-N 0 3 372.513 2.466 20 30 FEEDHN C#CCOc1ccccc1CNCC1(N2CCOCC2)CC(OCC)C1 ZINC000195460723 548643335 /nfs/dbraw/zinc/64/33/35/548643335.db2.gz IQRQBIWZGNTHJU-UHFFFAOYSA-N 0 3 358.482 2.058 20 30 FEEDHN COc1ccc(CN[C@@H]2CCc3nc(C)nn3C2)cc1OCCCC#N ZINC000237334977 548819525 /nfs/dbraw/zinc/81/95/25/548819525.db2.gz IEQWUDMNNPKWEL-MRXNPFEDSA-N 0 3 355.442 2.382 20 30 FEEDHN COCCOC[C@@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245519547 548938300 /nfs/dbraw/zinc/93/83/00/548938300.db2.gz IQRAJTQMQLLJCZ-MJGOQNOKSA-N 0 3 357.454 2.039 20 30 FEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000245674179 548972003 /nfs/dbraw/zinc/97/20/03/548972003.db2.gz FYABDARGMGFWDN-MAUKXSAKSA-N 0 3 356.470 2.466 20 30 FEEDHN CC1(C)[C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C[C@@H]21 ZINC000245847054 549002676 /nfs/dbraw/zinc/00/26/76/549002676.db2.gz LNTOFHJLUBJDRZ-OWCLPIDISA-N 0 3 358.511 2.045 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000488341833 561388374 /nfs/dbraw/zinc/38/83/74/561388374.db2.gz ARXHBNXAZPVSCJ-CQSZACIVSA-N 0 3 358.442 2.284 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@H]1CCN(C(C)=O)C1 ZINC000247179873 549294810 /nfs/dbraw/zinc/29/48/10/549294810.db2.gz YCAVZBUUPXQEET-DOTOQJQBSA-N 0 3 363.527 2.451 20 30 FEEDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489129669 561404130 /nfs/dbraw/zinc/40/41/30/561404130.db2.gz ZJGNOGIYGITSOK-UHFFFAOYSA-N 0 3 352.504 2.250 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@H]21 ZINC000248051796 549403770 /nfs/dbraw/zinc/40/37/70/549403770.db2.gz WLEMFKHXKURYDG-DZGCQCFKSA-N 0 3 353.875 2.316 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000489806010 561419434 /nfs/dbraw/zinc/41/94/34/561419434.db2.gz PJDZWLJXXNWWPX-MRXNPFEDSA-N 0 3 373.453 2.498 20 30 FEEDHN C#CCN1CCC(C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)CC1 ZINC000264285316 549993968 /nfs/dbraw/zinc/99/39/68/549993968.db2.gz GHTUKJYIVKZYAM-UHFFFAOYSA-N 0 3 358.482 2.443 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2Cn2cncn2)CC1 ZINC000264322359 549994794 /nfs/dbraw/zinc/99/47/94/549994794.db2.gz BMGNZLBNNQKURA-UHFFFAOYSA-N 0 3 368.485 2.166 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000264418856 549996129 /nfs/dbraw/zinc/99/61/29/549996129.db2.gz SWNHPACGXKCYOV-UHFFFAOYSA-N 0 3 365.499 2.393 20 30 FEEDHN N#CC1(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CCOCC1 ZINC000264552872 549998035 /nfs/dbraw/zinc/99/80/35/549998035.db2.gz ZEUGOUQZTWTFIK-UHFFFAOYSA-N 0 3 353.466 2.356 20 30 FEEDHN C=C(C)COc1cc(CNCCNC(=O)C2N=CC=CC2=O)ccc1OC ZINC000264938880 550004326 /nfs/dbraw/zinc/00/43/26/550004326.db2.gz FENWKDZJICHEKV-VXPUYCOJSA-N 0 3 371.437 2.266 20 30 FEEDHN Cc1ccc(CNC(=O)CON=C(N)c2ccc(CN(C)C)cc2)cc1 ZINC000267009266 550026394 /nfs/dbraw/zinc/02/63/94/550026394.db2.gz LTOYDOGZUBTBJY-UHFFFAOYSA-N 0 3 354.454 2.010 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)CC1 ZINC000267540101 550033047 /nfs/dbraw/zinc/03/30/47/550033047.db2.gz AAIZHSLJHSIKJU-UHFFFAOYSA-N 0 3 370.453 2.474 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)cc1C#N ZINC000269397489 550190352 /nfs/dbraw/zinc/19/03/52/550190352.db2.gz UPJPOUJLGXRASS-UHFFFAOYSA-N 0 3 372.469 2.227 20 30 FEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000269699954 550218395 /nfs/dbraw/zinc/21/83/95/550218395.db2.gz YCEJWVUBSYBOTQ-ICSRJNTNSA-N 0 3 352.482 2.123 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(CCC(N)=O)CC1)C(C)C ZINC000271104529 550341033 /nfs/dbraw/zinc/34/10/33/550341033.db2.gz ZJGIRUOZEXDARA-GOSISDBHSA-N 0 3 364.534 2.372 20 30 FEEDHN COCc1cc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)ccc1OC ZINC000271445012 550375964 /nfs/dbraw/zinc/37/59/64/550375964.db2.gz HCPGSMBBCYERQJ-LTFJSZEESA-N 0 3 359.426 2.019 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1 ZINC000272329595 550438388 /nfs/dbraw/zinc/43/83/88/550438388.db2.gz KBKAUVKYJAWWGC-HZPDHXFCSA-N 0 3 362.499 2.112 20 30 FEEDHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(C)(C#N)CC1 ZINC000272619717 550461132 /nfs/dbraw/zinc/46/11/32/550461132.db2.gz UORPPRUWURCOJX-MJGOQNOKSA-N 0 3 354.498 2.391 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2ncccc2OCCCC#N)C[C@H]1N(C)C ZINC000276120094 550576986 /nfs/dbraw/zinc/57/69/86/550576986.db2.gz WPHJZUFECQMICK-HIFRSBDPSA-N 0 3 363.487 2.273 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](N2CCCC2=O)C1)C(C)C ZINC000276661641 550582775 /nfs/dbraw/zinc/58/27/75/550582775.db2.gz QLXWSPQHQDFRCO-ZWKOTPCHSA-N 0 3 362.518 2.091 20 30 FEEDHN C#CC[C@@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000277837163 550719969 /nfs/dbraw/zinc/71/99/69/550719969.db2.gz XTFFFQNZNXPGNL-OAQYLSRUSA-N 0 3 368.525 2.420 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1nc(-c2ccccc2)cs1 ZINC000277866964 550723372 /nfs/dbraw/zinc/72/33/72/550723372.db2.gz MDMCWXKGSQJCJC-LBPRGKRZSA-N 0 3 350.465 2.416 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000278085966 550747206 /nfs/dbraw/zinc/74/72/06/550747206.db2.gz XNPZDZQNONYSJC-GOSISDBHSA-N 0 3 374.533 2.037 20 30 FEEDHN N#CCCn1cc(CNCCC(=O)N2CCCCC2)c(-c2ccncc2)n1 ZINC000278782965 550821366 /nfs/dbraw/zinc/82/13/66/550821366.db2.gz ZKCYBZTUTNFNIR-UHFFFAOYSA-N 0 3 366.469 2.351 20 30 FEEDHN Cc1ccc(N2CC[C@@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000280432678 550993130 /nfs/dbraw/zinc/99/31/30/550993130.db2.gz MNTKWKUSFYZMNJ-UYAOXDASSA-N 0 3 372.428 2.471 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3cccc(O)c3)CC2)cc1 ZINC000280751687 551028241 /nfs/dbraw/zinc/02/82/41/551028241.db2.gz HZXSCGJGKLTMGV-SFHVURJKSA-N 0 3 360.417 2.295 20 30 FEEDHN NC(=NOCc1cncc(F)c1)c1ccccc1CN1CCC(O)CC1 ZINC000280933001 551046843 /nfs/dbraw/zinc/04/68/43/551046843.db2.gz IGGDFLMACUWJFG-UHFFFAOYSA-N 0 3 358.417 2.015 20 30 FEEDHN C=CCn1c(-c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000282329953 551212549 /nfs/dbraw/zinc/21/25/49/551212549.db2.gz QUNSLACJYFRQSG-UHFFFAOYSA-N 0 3 353.470 2.432 20 30 FEEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)CCOCCO)sc2C1 ZINC000282489648 551236365 /nfs/dbraw/zinc/23/63/65/551236365.db2.gz MYWQSSNWEVCYNG-ZDUSSCGKSA-N 0 3 365.499 2.014 20 30 FEEDHN COCCN1CC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000282570202 551247476 /nfs/dbraw/zinc/24/74/76/551247476.db2.gz AZZRSDPWLMFHPG-CYBMUJFWSA-N 0 3 372.347 2.299 20 30 FEEDHN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000282705970 551261993 /nfs/dbraw/zinc/26/19/93/551261993.db2.gz VGZNCJHMAMXTNR-UHFFFAOYSA-N 0 3 374.533 2.258 20 30 FEEDHN C[C@](C#N)(NC(=O)CN[C@]1(Cc2ccc(Cl)cc2)CCOC1)C1CC1 ZINC000282722810 551263472 /nfs/dbraw/zinc/26/34/72/551263472.db2.gz MCCIKMAYKRHWMZ-MOPGFXCFSA-N 0 3 361.873 2.440 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282864553 551279523 /nfs/dbraw/zinc/27/95/23/551279523.db2.gz YACFHMQYAIEWNY-UHFFFAOYSA-N 0 3 359.474 2.104 20 30 FEEDHN C=CCN1CC[C@H](ON=C(N)c2cccc(CN3CCCCC3)c2)C1=O ZINC000283581671 551391610 /nfs/dbraw/zinc/39/16/10/551391610.db2.gz RFIPSPCFGLKMJD-SFHVURJKSA-N 0 3 356.470 2.096 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)c2cc(C#N)ccn2)CC1 ZINC000283725474 551417106 /nfs/dbraw/zinc/41/71/06/551417106.db2.gz LGPUZROQSBPDDL-UHFFFAOYSA-N 0 3 363.465 2.021 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)C(=O)NCCCCC#N)c1cccc(OC)c1 ZINC000283884320 551443743 /nfs/dbraw/zinc/44/37/43/551443743.db2.gz DCWOVCGMGKTKFX-GOSISDBHSA-N 0 3 374.485 2.004 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000283947928 551455382 /nfs/dbraw/zinc/45/53/82/551455382.db2.gz LAAWHMMRBYOAKI-UHFFFAOYSA-N 0 3 368.481 2.038 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000285827228 551815828 /nfs/dbraw/zinc/81/58/28/551815828.db2.gz GAACPEWDLJYSDN-SFHVURJKSA-N 0 3 371.481 2.173 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000499069384 561542586 /nfs/dbraw/zinc/54/25/86/561542586.db2.gz LVLASTYHGAPMNG-YZVOILCLSA-N 0 3 354.458 2.361 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2C)CC1 ZINC000286372925 551880157 /nfs/dbraw/zinc/88/01/57/551880157.db2.gz CNEBYRIBQXLATK-LJQANCHMSA-N 0 3 355.482 2.425 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)CC1 ZINC000286640796 551909287 /nfs/dbraw/zinc/90/92/87/551909287.db2.gz MZHQIYRSFRGDLQ-IEBWSBKVSA-N 0 3 369.509 2.466 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 ZINC000286646346 551910167 /nfs/dbraw/zinc/91/01/67/551910167.db2.gz NENROOFCNGVVBT-KRWDZBQOSA-N 0 3 373.497 2.035 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000286761258 551922982 /nfs/dbraw/zinc/92/29/82/551922982.db2.gz UEGMAXFMZKESED-SFHVURJKSA-N 0 3 359.445 2.256 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000287041925 551955365 /nfs/dbraw/zinc/95/53/65/551955365.db2.gz GHVFAFOUSCEWDP-GXTWGEPZSA-N 0 3 365.455 2.451 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000287698608 552035654 /nfs/dbraw/zinc/03/56/54/552035654.db2.gz KHGXRECDOQAXJR-IBGZPJMESA-N 0 3 355.482 2.411 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000288144842 552099298 /nfs/dbraw/zinc/09/92/98/552099298.db2.gz LRMKEMOKXXSIFF-LRDDRELGSA-N 0 3 360.845 2.235 20 30 FEEDHN C=CCCCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000288171164 552103939 /nfs/dbraw/zinc/10/39/39/552103939.db2.gz MPYMPHPRMRRHCL-IEBWSBKVSA-N 0 3 357.498 2.486 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288327092 552133957 /nfs/dbraw/zinc/13/39/57/552133957.db2.gz XXYYXWDAGHHRCW-WBMJQRKESA-N 0 3 360.845 2.235 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000499723325 561556971 /nfs/dbraw/zinc/55/69/71/561556971.db2.gz OTTSSAFUNSOJHW-KRWDZBQOSA-N 0 3 366.469 2.320 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1 ZINC000288346636 552137561 /nfs/dbraw/zinc/13/75/61/552137561.db2.gz YYONTQYEPMXCFV-CRAIPNDOSA-N 0 3 357.454 2.275 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000500253324 561568872 /nfs/dbraw/zinc/56/88/72/561568872.db2.gz XTXFCBZIAGVTET-UHFFFAOYSA-N 0 3 351.472 2.170 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000289629930 552352386 /nfs/dbraw/zinc/35/23/86/552352386.db2.gz ZPRUDNQACSOQOD-KXBFYZLASA-N 0 3 370.478 2.142 20 30 FEEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)c1cncc(C#N)c1)c1ccccc1 ZINC000289765628 552375001 /nfs/dbraw/zinc/37/50/01/552375001.db2.gz KZFATDBLNCSMDO-CQSZACIVSA-N 0 3 358.467 2.361 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)C2CCCC2)cc1 ZINC000289978647 552408948 /nfs/dbraw/zinc/40/89/48/552408948.db2.gz XTHTUISJRRJVHM-WBMJQRKESA-N 0 3 365.455 2.045 20 30 FEEDHN C#Cc1ccccc1CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000290348742 552464749 /nfs/dbraw/zinc/46/47/49/552464749.db2.gz YEINLEPGNJXSBO-UHFFFAOYSA-N 0 3 362.473 2.484 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(C)nc(N3CCCC3)n2)CC1 ZINC000292304043 552713960 /nfs/dbraw/zinc/71/39/60/552713960.db2.gz NUTHSJJTEPQFDX-UHFFFAOYSA-N 0 3 372.517 2.225 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000293908111 552867036 /nfs/dbraw/zinc/86/70/36/552867036.db2.gz FWKFYCWXMLUJPL-UHFFFAOYSA-N 0 3 351.428 2.010 20 30 FEEDHN C#CCN(C)CCCN[C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000295020301 552952148 /nfs/dbraw/zinc/95/21/48/552952148.db2.gz NQBGZJDKKVGCSH-CYBMUJFWSA-N 0 3 374.453 2.297 20 30 FEEDHN C#CCN(C)CCCN[C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000295020304 552952159 /nfs/dbraw/zinc/95/21/59/552952159.db2.gz NQBGZJDKKVGCSH-ZDUSSCGKSA-N 0 3 374.453 2.297 20 30 FEEDHN CCOC(=O)c1cnn(C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000295070217 552955953 /nfs/dbraw/zinc/95/59/53/552955953.db2.gz AIKNVWCXPINJDQ-LJQANCHMSA-N 0 3 368.437 2.302 20 30 FEEDHN C#CCO[C@H](C)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000295322650 552987407 /nfs/dbraw/zinc/98/74/07/552987407.db2.gz OWPGOJRBGZKLAE-GOSISDBHSA-N 0 3 358.482 2.212 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000295384064 552997698 /nfs/dbraw/zinc/99/76/98/552997698.db2.gz HDAJTWKOQMWPOV-GOSISDBHSA-N 0 3 359.470 2.070 20 30 FEEDHN N#Cc1csc(CNC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 ZINC000502054442 561610999 /nfs/dbraw/zinc/61/09/99/561610999.db2.gz NBLZVLLEZBMODV-ZWKOTPCHSA-N 0 3 366.490 2.308 20 30 FEEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC000296233626 553126892 /nfs/dbraw/zinc/12/68/92/553126892.db2.gz CDVVLDJHTCYNCO-CZUORRHYSA-N 0 3 359.875 2.018 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)CN1CCCCC1 ZINC000296678932 553197146 /nfs/dbraw/zinc/19/71/46/553197146.db2.gz HYSBEVPEXSORGZ-AWEZNQCLSA-N 0 3 353.463 2.239 20 30 FEEDHN N#Cc1cc(NCCCN2CCN(c3ccncc3)CC2)nc(C2CC2)n1 ZINC000601108681 553348347 /nfs/dbraw/zinc/34/83/47/553348347.db2.gz INVXWDDKOBSHGB-UHFFFAOYSA-N 0 3 363.469 2.245 20 30 FEEDHN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000297980984 553366085 /nfs/dbraw/zinc/36/60/85/553366085.db2.gz IJGNIDCUWCOEKA-LJQANCHMSA-N 0 3 357.498 2.392 20 30 FEEDHN C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN(C)C ZINC000298250779 553403953 /nfs/dbraw/zinc/40/39/53/553403953.db2.gz DOPOLABGGSVIGJ-LPHOPBHVSA-N 0 3 357.498 2.220 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000298255960 553404591 /nfs/dbraw/zinc/40/45/91/553404591.db2.gz FFEFPAVXKMSOKK-IBGZPJMESA-N 0 3 372.513 2.319 20 30 FEEDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(CCOc2ccccc2C#N)CC1 ZINC000298289647 553408434 /nfs/dbraw/zinc/40/84/34/553408434.db2.gz OXPICXLANWYPHM-MJGOQNOKSA-N 0 3 358.438 2.227 20 30 FEEDHN CS[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1N1CCCC1 ZINC000299377020 553555209 /nfs/dbraw/zinc/55/52/09/553555209.db2.gz QOXYEFHRRAJOTR-GBESFXJTSA-N 0 3 370.522 2.175 20 30 FEEDHN CS[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1N1CCCC1 ZINC000299377028 553555282 /nfs/dbraw/zinc/55/52/82/553555282.db2.gz QOXYEFHRRAJOTR-GUDVDZBRSA-N 0 3 370.522 2.175 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299536492 553577684 /nfs/dbraw/zinc/57/76/84/553577684.db2.gz UZMHACJEHZEFNQ-GOSISDBHSA-N 0 3 369.469 2.013 20 30 FEEDHN N#Cc1ccc2nc(N[C@H]3CCCN(CCN4CCOCC4)C3)ccc2c1 ZINC000603423141 553784613 /nfs/dbraw/zinc/78/46/13/553784613.db2.gz MKSRWWRXASRWJT-IBGZPJMESA-N 0 3 365.481 2.315 20 30 FEEDHN CN(C)C1(CNC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CCC1 ZINC000328623819 553797907 /nfs/dbraw/zinc/79/79/07/553797907.db2.gz ZBUGVNVVSWDDOL-MRXNPFEDSA-N 0 3 350.507 2.298 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328697684 553808840 /nfs/dbraw/zinc/80/88/40/553808840.db2.gz DRBFSHMKXAKZAF-VBSBHUPXSA-N 0 3 371.481 2.184 20 30 FEEDHN CN1CCN(CCNC(=O)c2cnc([C@H]3CCCO3)s2)CC1(C)C ZINC000328717818 553811668 /nfs/dbraw/zinc/81/16/68/553811668.db2.gz PMJQVNDOWZZBBQ-CYBMUJFWSA-N 0 3 352.504 2.325 20 30 FEEDHN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000328739346 553815181 /nfs/dbraw/zinc/81/51/81/553815181.db2.gz HVWLOBUDIDVNDD-QLFBSQMISA-N 0 3 366.506 2.229 20 30 FEEDHN CN1CCO[C@@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21 ZINC000328927429 553845917 /nfs/dbraw/zinc/84/59/17/553845917.db2.gz XCRUMAZJIIRKTA-HZPDHXFCSA-N 0 3 374.510 2.491 20 30 FEEDHN CN1CCC2(CC1)C[C@H](NC(=O)[C@H]1COCCN1C)c1ccccc1O2 ZINC000328946501 553851129 /nfs/dbraw/zinc/85/11/29/553851129.db2.gz JYWAVFTUFAHFFA-DLBZAZTESA-N 0 3 359.470 2.262 20 30 FEEDHN CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000328963249 553854189 /nfs/dbraw/zinc/85/41/89/553854189.db2.gz LJFYSZCZNKUWAS-INIZCTEOSA-N 0 3 373.453 2.461 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)C1 ZINC000328999562 553861957 /nfs/dbraw/zinc/86/19/57/553861957.db2.gz XBWUFSGIAXGSTD-SPYBWZPUSA-N 0 3 364.490 2.380 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000329116740 553883232 /nfs/dbraw/zinc/88/32/32/553883232.db2.gz ISERNIXTWSSFCE-XMTFNYHQSA-N 0 3 353.507 2.027 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@H](c1nc(C)no1)C1CCOCC1 ZINC000329148928 553889625 /nfs/dbraw/zinc/88/96/25/553889625.db2.gz YNTOEJKCSKXJOS-CVEARBPZSA-N 0 3 365.478 2.224 20 30 FEEDHN O=C(CCN1CCC([C@@H](O)C(=O)NC2CC2)CC1)N1CCc2ccccc21 ZINC000329189669 553898694 /nfs/dbraw/zinc/89/86/94/553898694.db2.gz PUSRPJHHFQUDAO-HXUWFJFHSA-N 0 3 371.481 2.158 20 30 FEEDHN CCN(C)[C@H](C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1)c1ccccc1 ZINC000329206761 553902268 /nfs/dbraw/zinc/90/22/68/553902268.db2.gz YGWOBMQZIJKTRL-MOPGFXCFSA-N 0 3 372.513 2.331 20 30 FEEDHN O=C(NCCc1nnc2n1CCCCC2)N1CC[C@H](N2CCCCC2)C1 ZINC000329283377 553917002 /nfs/dbraw/zinc/91/70/02/553917002.db2.gz LDOKPHVJXKORLJ-INIZCTEOSA-N 0 3 360.506 2.021 20 30 FEEDHN CN(C(=O)N[C@@H]1CCN(C2CC2)C1)C1CCN(CCc2ccccn2)CC1 ZINC000329284062 553917967 /nfs/dbraw/zinc/91/79/67/553917967.db2.gz FXWQDLPNOKGULD-GOSISDBHSA-N 0 3 371.529 2.171 20 30 FEEDHN CC[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1nnc2n1CCCCC2 ZINC000329302355 553921387 /nfs/dbraw/zinc/92/13/87/553921387.db2.gz WTBGKXGPQPIQDK-HRCADAONSA-N 0 3 360.506 2.396 20 30 FEEDHN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000329309993 553922660 /nfs/dbraw/zinc/92/26/60/553922660.db2.gz ZHJQNDWBBFUVRK-PBHICJAKSA-N 0 3 369.531 2.307 20 30 FEEDHN Cc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)nn1-c1cccc(C#N)c1 ZINC000506489075 561700030 /nfs/dbraw/zinc/70/00/30/561700030.db2.gz ULMPXMZLXKOXGG-KRWDZBQOSA-N 0 3 351.454 2.466 20 30 FEEDHN C[C@]1(C[C@H]2CCCN2C(=O)NC2CCN(C3CC3)CC2)NC(=O)NC1=O ZINC000329415595 553942627 /nfs/dbraw/zinc/94/26/27/553942627.db2.gz CWVBDCFMYHQRQL-RDTXWAMCSA-N 0 3 363.462 2.025 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)[C@H]2C1 ZINC000329433453 553946036 /nfs/dbraw/zinc/94/60/36/553946036.db2.gz KVRLICSAEQSTCB-PBHICJAKSA-N 0 3 374.489 2.354 20 30 FEEDHN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000329531066 553962837 /nfs/dbraw/zinc/96/28/37/553962837.db2.gz JDGABOIYMBKQNC-NEWSRXKRSA-N 0 3 372.513 2.410 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329553798 553966436 /nfs/dbraw/zinc/96/64/36/553966436.db2.gz DHXONYQNOKESTJ-DLBZAZTESA-N 0 3 360.506 2.132 20 30 FEEDHN O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000329620073 553977815 /nfs/dbraw/zinc/97/78/15/553977815.db2.gz MMXZXLXAJOCLMC-JKSUJKDBSA-N 0 3 374.460 2.405 20 30 FEEDHN CN(C)C1(CNC(=O)NC[C@H]2CCCCS2(=O)=O)CCCCCC1 ZINC000329627331 553978891 /nfs/dbraw/zinc/97/88/91/553978891.db2.gz GXNCXSIBZBQWRF-OAHLLOKOSA-N 0 3 359.536 2.112 20 30 FEEDHN O=C(CN1CCN(CC2CCOCC2)CC1)Nc1nc2c(s1)CCC2 ZINC000329629875 553979748 /nfs/dbraw/zinc/97/97/48/553979748.db2.gz WDFSUSWTDVHTIE-UHFFFAOYSA-N 0 3 364.515 2.264 20 30 FEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000329797674 554008022 /nfs/dbraw/zinc/00/80/22/554008022.db2.gz HKIJPKKSIYSTHX-FCGDIQPGSA-N 0 3 365.518 2.359 20 30 FEEDHN CCN1CCC(NC(=O)N2CCN([C@H](C)c3nccs3)CC2)CC1 ZINC000329801077 554008517 /nfs/dbraw/zinc/00/85/17/554008517.db2.gz JIHPZWZTDJUCHF-CQSZACIVSA-N 0 3 351.520 2.220 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000329864025 554021496 /nfs/dbraw/zinc/02/14/96/554021496.db2.gz SJOFPZCAYHPTLM-OLZOCXBDSA-N 0 3 371.528 2.124 20 30 FEEDHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000329894536 554026081 /nfs/dbraw/zinc/02/60/81/554026081.db2.gz BLFFSIMZLOCXOH-LULLPPNCSA-N 0 3 370.497 2.021 20 30 FEEDHN Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@]2(N(C)C)CCSC2)cnn1C ZINC000329897994 554026819 /nfs/dbraw/zinc/02/68/19/554026819.db2.gz LUCSNBHEFNHVDS-JLJPHGGASA-N 0 3 352.504 2.200 20 30 FEEDHN C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCn2ncnc2C1 ZINC000329950786 554037158 /nfs/dbraw/zinc/03/71/58/554037158.db2.gz HZRSORQVDNIYEI-MRXNPFEDSA-N 0 3 368.485 2.103 20 30 FEEDHN COc1cnccc1[C@H](C)NC(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000329964988 554040137 /nfs/dbraw/zinc/04/01/37/554040137.db2.gz QVNPPENUBGVSBO-RYUDHWBXSA-N 0 3 356.444 2.090 20 30 FEEDHN CC(C(=O)NCCc1ccc2c(c1)CCO2)S(=O)(=O)C1CCOCC1 ZINC000330055109 554056167 /nfs/dbraw/zinc/05/61/67/554056167.db2.gz TWCNREQKZSPGFP-ZDUSSCGKSA-N 0 3 367.467 2.103 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1CC(=O)Nc1nc2c(s1)CCC2 ZINC000330197144 554083408 /nfs/dbraw/zinc/08/34/08/554083408.db2.gz RJWAPUZZMRVVEM-ZDUSSCGKSA-N 0 3 364.515 2.405 20 30 FEEDHN Cc1ccn2cc(CNC(=O)Nc3ccn(C4CCN(C)CC4)n3)nc2c1 ZINC000330209173 554085808 /nfs/dbraw/zinc/08/58/08/554085808.db2.gz HIBBSRZPSLOMDN-UHFFFAOYSA-N 0 3 367.457 2.632 20 30 FEEDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000330233381 554089708 /nfs/dbraw/zinc/08/97/08/554089708.db2.gz XWJXMOLXWUERCU-BRWVUGGUSA-N 0 3 353.507 2.169 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000330236905 554090783 /nfs/dbraw/zinc/09/07/83/554090783.db2.gz UPLINMHSFSGCKD-YXJHDRRASA-N 0 3 351.491 2.043 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000330311445 554103594 /nfs/dbraw/zinc/10/35/94/554103594.db2.gz VSSLBKKEFPKHKO-ATZDWAIDSA-N 0 3 359.470 2.273 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)c1cc2n(n1)CCCO2 ZINC000330346913 554109536 /nfs/dbraw/zinc/10/95/36/554109536.db2.gz HDYDOVDCZDWLCH-UHFFFAOYSA-N 0 3 350.488 2.332 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000330663193 554153198 /nfs/dbraw/zinc/15/31/98/554153198.db2.gz VDKAULOLQYGKJV-HNNXBMFYSA-N 0 3 353.532 2.091 20 30 FEEDHN CN(C)C(=O)CCN1CCC(NC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000330667394 554154235 /nfs/dbraw/zinc/15/42/35/554154235.db2.gz JCEJALDUQKLNIE-UHFFFAOYSA-N 0 3 354.401 2.233 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@H]1N(C)C ZINC000330721259 554163046 /nfs/dbraw/zinc/16/30/46/554163046.db2.gz XJOABFXLFPKNOD-CVEARBPZSA-N 0 3 350.488 2.476 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000508382246 561760771 /nfs/dbraw/zinc/76/07/71/561760771.db2.gz LSGLTXLQHYAPOK-KRWDZBQOSA-N 0 3 372.513 2.498 20 30 FEEDHN CN(CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000331018421 554201861 /nfs/dbraw/zinc/20/18/61/554201861.db2.gz VZLPTMXDCGUPPL-KRWDZBQOSA-N 0 3 360.502 2.412 20 30 FEEDHN Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000331228867 554233489 /nfs/dbraw/zinc/23/34/89/554233489.db2.gz CGMAJRVAZUZTIL-CZUORRHYSA-N 0 3 367.515 2.500 20 30 FEEDHN Cc1cc(C(=O)NCCN2CCCC(C)(C)C2)cc(S(N)(=O)=O)c1C ZINC000331307989 554245325 /nfs/dbraw/zinc/24/53/25/554245325.db2.gz WSTVWTBTDIBSQQ-UHFFFAOYSA-N 0 3 367.515 2.377 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000331406328 554259541 /nfs/dbraw/zinc/25/95/41/554259541.db2.gz FJJRPFGNSZYPRB-ZWKOTPCHSA-N 0 3 355.486 2.079 20 30 FEEDHN CO[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1OC ZINC000331531048 554281127 /nfs/dbraw/zinc/28/11/27/554281127.db2.gz HBJHBJKBIVJXQC-HUUCEWRRSA-N 0 3 363.483 2.173 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@@H]1N1CCCC1 ZINC000331611819 554294723 /nfs/dbraw/zinc/29/47/23/554294723.db2.gz WCBDACBWZRQXBZ-UWWQBHOKSA-N 0 3 359.495 2.364 20 30 FEEDHN CS[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1N1CCCC1 ZINC000333074899 554568312 /nfs/dbraw/zinc/56/83/12/554568312.db2.gz DGANZCVAIZQEER-HZPDHXFCSA-N 0 3 371.572 2.302 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@]4(CC[C@H](C)C4)C3)CC2)o1 ZINC000360682892 554885171 /nfs/dbraw/zinc/88/51/71/554885171.db2.gz WSJYFKPWUZVCGP-YWZLYKJASA-N 0 3 371.485 2.015 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511630229 561875295 /nfs/dbraw/zinc/87/52/95/561875295.db2.gz RZAMGLQIGXBBMQ-DZGCQCFKSA-N 0 3 355.360 2.380 20 30 FEEDHN C#CC[C@H](C)NC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000363605188 555145752 /nfs/dbraw/zinc/14/57/52/555145752.db2.gz DBZOCSDSOOPKFL-PXNSSMCTSA-N 0 3 357.498 2.485 20 30 FEEDHN C#CC[C@@H](C)NC(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000363605190 555146029 /nfs/dbraw/zinc/14/60/29/555146029.db2.gz DBZOCSDSOOPKFL-YLJYHZDGSA-N 0 3 357.498 2.485 20 30 FEEDHN CC(C)CN1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000363638079 555152471 /nfs/dbraw/zinc/15/24/71/555152471.db2.gz PTSOCJUGPPHWER-UHFFFAOYSA-N 0 3 366.469 2.130 20 30 FEEDHN C=C(C)CN(CC(=O)NC1CCN(CC)CC1)Cc1cnn(C(C)C)c1 ZINC000512557897 561909046 /nfs/dbraw/zinc/90/90/46/561909046.db2.gz ZWXRVGGIUQJTHB-UHFFFAOYSA-N 0 3 361.534 2.443 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000512450305 561905489 /nfs/dbraw/zinc/90/54/89/561905489.db2.gz QRHVDDUEIOMCFL-RTWAWAEBSA-N 0 3 368.525 2.386 20 30 FEEDHN C=CCNc1ncc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)s1 ZINC000364671259 555369814 /nfs/dbraw/zinc/36/98/14/555369814.db2.gz KOIXEHAYCGXQNS-RDJZCZTQSA-N 0 3 371.510 2.901 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@]3(CNC(=O)O3)C2)cc1Cl ZINC000364795534 555405051 /nfs/dbraw/zinc/40/50/51/555405051.db2.gz YNWFYFRKTYLZCK-QGZVFWFLSA-N 0 3 362.817 2.115 20 30 FEEDHN C[C@H](CO)N1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000365004029 555462567 /nfs/dbraw/zinc/46/25/67/555462567.db2.gz WFIFHCAVKYLOLT-GFCCVEGCSA-N 0 3 368.384 2.080 20 30 FEEDHN N#Cc1ccc(Br)c(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000365201867 555509785 /nfs/dbraw/zinc/50/97/85/555509785.db2.gz KGUICNGCNKOCGO-IRXDYDNUSA-N 0 3 364.287 2.352 20 30 FEEDHN COCCN(C)CC[C@@H](NC(=O)c1cnccc1C#N)c1ccccc1 ZINC000513198883 561929221 /nfs/dbraw/zinc/92/92/21/561929221.db2.gz JFNZYFLQUBJVHG-LJQANCHMSA-N 0 3 352.438 2.393 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000365959306 555711367 /nfs/dbraw/zinc/71/13/67/555711367.db2.gz IQTDRAAYHNYREN-HACGYAERSA-N 0 3 363.408 2.456 20 30 FEEDHN COCCCN1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000366236301 555789309 /nfs/dbraw/zinc/78/93/09/555789309.db2.gz LHLQGMQDXWCAMB-UHFFFAOYSA-N 0 3 359.470 2.286 20 30 FEEDHN Cc1nccn1-c1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000366308642 555808339 /nfs/dbraw/zinc/80/83/39/555808339.db2.gz BKGMEDKEUVMZEZ-LJQANCHMSA-N 0 3 370.416 2.446 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000366379968 555827417 /nfs/dbraw/zinc/82/74/17/555827417.db2.gz GNESXRDFWPGQCS-IEBWSBKVSA-N 0 3 358.401 2.162 20 30 FEEDHN CN1C(=O)C[C@H](NCc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(F)cc1 ZINC000366931082 555974387 /nfs/dbraw/zinc/97/43/87/555974387.db2.gz DCMBSWCVWVFQAB-PXNSSMCTSA-N 0 3 363.396 2.407 20 30 FEEDHN CN1C(=O)C[C@H](NCc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(F)cc1 ZINC000366931081 555974646 /nfs/dbraw/zinc/97/46/46/555974646.db2.gz DCMBSWCVWVFQAB-FXAWDEMLSA-N 0 3 363.396 2.407 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(C(=O)Nc3ccccn3)CC2)CC1 ZINC000368520314 556333495 /nfs/dbraw/zinc/33/34/95/556333495.db2.gz ZRHBSUWEJPYUSE-UHFFFAOYSA-N 0 3 371.485 2.092 20 30 FEEDHN N#Cc1cc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000368547146 556342153 /nfs/dbraw/zinc/34/21/53/556342153.db2.gz ZYXZAMLETIILLY-IRXDYDNUSA-N 0 3 367.409 2.096 20 30 FEEDHN Cc1cc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)nn1-c1cccc(C#N)c1 ZINC000368800882 556416350 /nfs/dbraw/zinc/41/63/50/556416350.db2.gz SWNHKEFTTJSULB-AEFFLSMTSA-N 0 3 364.453 2.610 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCN2CCc3sccc3C2)cc1 ZINC000369137717 556513773 /nfs/dbraw/zinc/51/37/73/556513773.db2.gz DAQQGSACYGUOKZ-GOSISDBHSA-N 0 3 364.474 2.477 20 30 FEEDHN C#CCNC(=O)c1ccc(NC[C@@H]2CCN(C)[C@@H]2c2cccs2)nc1 ZINC000369561387 556631599 /nfs/dbraw/zinc/63/15/99/556631599.db2.gz PAUPTKKTTRXFGP-KSSFIOAISA-N 0 3 354.479 2.611 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)CC1 ZINC000369909811 556727738 /nfs/dbraw/zinc/72/77/38/556727738.db2.gz RIUZNKMNGYCFEQ-UHFFFAOYSA-N 0 3 369.509 2.099 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000370185310 556805150 /nfs/dbraw/zinc/80/51/50/556805150.db2.gz QPYRJKOUECLFNG-WOJBJXKFSA-N 0 3 372.428 2.158 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000370246361 556820905 /nfs/dbraw/zinc/82/09/05/556820905.db2.gz FCUKKKDBCSHNTE-QGZVFWFLSA-N 0 3 355.486 2.380 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(CC#N)c2)CC1=O ZINC000517014116 562071083 /nfs/dbraw/zinc/07/10/83/562071083.db2.gz IVUINMMPQUUSMJ-FUHWJXTLSA-N 0 3 354.454 2.024 20 30 FEEDHN C#CC[C@@H](C)NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000371057754 557061199 /nfs/dbraw/zinc/06/11/99/557061199.db2.gz XLXUDXZQKBEPAS-RTBURBONSA-N 0 3 369.513 2.037 20 30 FEEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H]2C2CC2)CC1 ZINC000371470299 557190870 /nfs/dbraw/zinc/19/08/70/557190870.db2.gz KNYAASKVMBPPIE-SJORKVTESA-N 0 3 358.511 2.331 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3cc(C)ncc3C#N)C2)CC1 ZINC000518364482 562109755 /nfs/dbraw/zinc/10/97/55/562109755.db2.gz ZIHMNVQCMOLHJY-SFHVURJKSA-N 0 3 355.486 2.032 20 30 FEEDHN C[C@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)N1CCCCCC1 ZINC000372120309 557385070 /nfs/dbraw/zinc/38/50/70/557385070.db2.gz MSVABRYNZYRVSO-MRXNPFEDSA-N 0 3 355.486 2.621 20 30 FEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000518870259 562120078 /nfs/dbraw/zinc/12/00/78/562120078.db2.gz AZLUIWCIENLCGC-NUJGCVRESA-N 0 3 371.485 2.379 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372341413 557444831 /nfs/dbraw/zinc/44/48/31/557444831.db2.gz BSFIYBCRFRYNMZ-MDASCCDHSA-N 0 3 354.454 2.124 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000519294905 562128752 /nfs/dbraw/zinc/12/87/52/562128752.db2.gz SOZVWEPIYRLOGZ-GOSISDBHSA-N 0 3 353.470 2.459 20 30 FEEDHN C=CCN(C(=O)NCc1nccn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372471362 557479407 /nfs/dbraw/zinc/47/94/07/557479407.db2.gz IEONAQPKNUKBPM-GOSISDBHSA-N 0 3 353.470 2.392 20 30 FEEDHN CC(C)(O)CN1CCCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000372559425 557505160 /nfs/dbraw/zinc/50/51/60/557505160.db2.gz ZZKLOUMOSCWQBE-UHFFFAOYSA-N 0 3 361.511 2.097 20 30 FEEDHN CN(C(=O)C(=O)Nc1cccc(C#N)c1)C1CCN(c2ccncc2)CC1 ZINC000372635906 557526555 /nfs/dbraw/zinc/52/65/55/557526555.db2.gz CYBDHWWKSFSLOC-UHFFFAOYSA-N 0 3 363.421 2.019 20 30 FEEDHN COCCN(C)S(=O)(=O)[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000373100243 557628310 /nfs/dbraw/zinc/62/83/10/557628310.db2.gz QWQNTWAESXCZCD-INIZCTEOSA-N 0 3 359.536 2.079 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1 ZINC000373402722 557687701 /nfs/dbraw/zinc/68/77/01/557687701.db2.gz KTGWRJKCXUGNTB-HTAPYJJXSA-N 0 3 370.412 2.363 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000373488165 557702948 /nfs/dbraw/zinc/70/29/48/557702948.db2.gz FWFKSBBHGRNACX-LJQANCHMSA-N 0 3 351.491 2.006 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000520372522 562154549 /nfs/dbraw/zinc/15/45/49/562154549.db2.gz VEKUKGDOVFCLDS-QGZVFWFLSA-N 0 3 357.454 2.278 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](NCc3ccccc3)C2)c1 ZINC000373652227 557731926 /nfs/dbraw/zinc/73/19/26/557731926.db2.gz ICEHEGBBRIPNLS-IBGZPJMESA-N 0 3 362.433 2.278 20 30 FEEDHN C[C@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000520650071 562160946 /nfs/dbraw/zinc/16/09/46/562160946.db2.gz ITVJUURKMSDKQN-XJKSGUPXSA-N 0 3 368.478 2.009 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)N3CCC(C)CC3)cc2C1=O ZINC000520868810 562165420 /nfs/dbraw/zinc/16/54/20/562165420.db2.gz XUBWRQBZTQDBGM-OAHLLOKOSA-N 0 3 369.465 2.319 20 30 FEEDHN N#Cc1ccc(OCC(=O)Nc2cnn(CCN3CCCCC3)c2)cc1 ZINC000374470810 557888203 /nfs/dbraw/zinc/88/82/03/557888203.db2.gz KJRAJSQVFQIQLS-UHFFFAOYSA-N 0 3 353.426 2.258 20 30 FEEDHN COc1cccc([C@@H]2[C@H](N[C@@H](C)C(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000374766758 557927982 /nfs/dbraw/zinc/92/79/82/557927982.db2.gz MXQVTQQVNNWISN-CWFSZBLJSA-N 0 3 370.497 2.323 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000375016696 557964902 /nfs/dbraw/zinc/96/49/02/557964902.db2.gz FUIGJNHFNXQENE-HNNXBMFYSA-N 0 3 351.491 2.400 20 30 FEEDHN Cc1nn2c(CNC3CCN(c4ccc(C#N)cn4)CC3)c(C)nc2s1 ZINC000375051514 557970180 /nfs/dbraw/zinc/97/01/80/557970180.db2.gz WGSQLHKIKRMYQJ-UHFFFAOYSA-N 0 3 367.482 2.433 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375291407 558005150 /nfs/dbraw/zinc/00/51/50/558005150.db2.gz GVXRYTGDFFGQMF-UHFFFAOYSA-N 0 3 350.413 2.239 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1occ2c1CCOC2 ZINC000375721936 558072769 /nfs/dbraw/zinc/07/27/69/558072769.db2.gz GYBNSWVRJCEYRJ-UHFFFAOYSA-N 0 3 353.422 2.428 20 30 FEEDHN Cc1nc(C)n(C[C@H]2CCCN2CCC(=O)Nc2ccccc2C#N)n1 ZINC000375816511 558084204 /nfs/dbraw/zinc/08/42/04/558084204.db2.gz RWFJPDKWUNZJJH-QGZVFWFLSA-N 0 3 352.442 2.260 20 30 FEEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C1(S(C)(=O)=O)CC1 ZINC000376117079 558129212 /nfs/dbraw/zinc/12/92/12/558129212.db2.gz OLPLSUMGXWLYDF-HNNXBMFYSA-N 0 3 361.511 2.078 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000376117658 558129242 /nfs/dbraw/zinc/12/92/42/558129242.db2.gz QAQQJOFRWSICHB-MRXNPFEDSA-N 0 3 360.889 2.452 20 30 FEEDHN C#CC[C@@H](NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)c1ccccc1 ZINC000376208080 558141083 /nfs/dbraw/zinc/14/10/83/558141083.db2.gz CFARIUKQPVNEKA-VQTJNVASSA-N 0 3 354.498 2.172 20 30 FEEDHN CN1CCC(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000376256694 558148511 /nfs/dbraw/zinc/14/85/11/558148511.db2.gz VIPHWHIDMKZHBP-UHFFFAOYSA-N 0 3 360.433 2.344 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000376333224 558159118 /nfs/dbraw/zinc/15/91/18/558159118.db2.gz MZJBKIQINLHFMW-IAGOWNOFSA-N 0 3 357.454 2.152 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)CC1 ZINC000376357715 558162650 /nfs/dbraw/zinc/16/26/50/558162650.db2.gz YXNCAPBWURZYGD-GOSISDBHSA-N 0 3 374.460 2.049 20 30 FEEDHN Cn1cc(-c2ccc(CN3CCC(n4cnc(C#N)n4)CC3)s2)cn1 ZINC000376686973 558208666 /nfs/dbraw/zinc/20/86/66/558208666.db2.gz FSIGHGJHXIBSTL-UHFFFAOYSA-N 0 3 353.455 2.449 20 30 FEEDHN Cn1cc(CN[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1C#N ZINC000377023977 558253063 /nfs/dbraw/zinc/25/30/63/558253063.db2.gz DSURDOWVRACZEP-MRXNPFEDSA-N 0 3 350.401 2.399 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)O[C@@]3(CCOC3)C2)CC1 ZINC000377075202 558260602 /nfs/dbraw/zinc/26/06/02/558260602.db2.gz XRONSJPFMRRLDU-HKUYNNGSSA-N 0 3 351.491 2.006 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377578683 558370029 /nfs/dbraw/zinc/37/00/29/558370029.db2.gz AJAVVTZMWFFLAZ-HZPDHXFCSA-N 0 3 358.442 2.330 20 30 FEEDHN CCc1nc(CN2CCC[C@H](N(C)C[C@H](O)c3ccc(C#N)cc3)C2)no1 ZINC000378142237 558489926 /nfs/dbraw/zinc/48/99/26/558489926.db2.gz LTLVYFOLRPAXBZ-ROUUACIJSA-N 0 3 369.469 2.133 20 30 FEEDHN Cn1cc(N2CC[C@@H](NCc3cn(C)nc3-c3ccc(C#N)cc3)C2)cn1 ZINC000378480315 558567004 /nfs/dbraw/zinc/56/70/04/558567004.db2.gz FKZVMFWSFLAHOK-GOSISDBHSA-N 0 3 361.453 2.061 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC000410108734 558739121 /nfs/dbraw/zinc/73/91/21/558739121.db2.gz XTWMWPMMKBYYLR-MJGOQNOKSA-N 0 3 373.472 2.283 20 30 FEEDHN Cc1cc(NC(=O)C(=O)NCC(C)(C)CCC#N)ccc1OCCN(C)C ZINC000411530595 558911631 /nfs/dbraw/zinc/91/16/31/558911631.db2.gz VYFHGBQKTTXEKW-UHFFFAOYSA-N 0 3 374.485 2.320 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC000413922146 559140739 /nfs/dbraw/zinc/14/07/39/559140739.db2.gz KFXDWHPSQCESHO-MSOLQXFVSA-N 0 3 360.479 2.185 20 30 FEEDHN COc1ccc(C[C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000414140702 559150511 /nfs/dbraw/zinc/15/05/11/559150511.db2.gz RDKKPMKFZRFYCP-KXBFYZLASA-N 0 3 364.449 2.284 20 30 FEEDHN COc1cc([C@@H](C#N)NC(=O)C23CCCN2CCC3)cc(OC)c1OC ZINC000415374515 559228625 /nfs/dbraw/zinc/22/86/25/559228625.db2.gz IZMHNSXLCOYQRJ-CQSZACIVSA-N 0 3 359.426 2.022 20 30 FEEDHN N#Cc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCC1 ZINC000416367906 559307867 /nfs/dbraw/zinc/30/78/67/559307867.db2.gz DZAOXYJDHRNKBP-UHFFFAOYSA-N 0 3 372.288 2.085 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416684754 559329583 /nfs/dbraw/zinc/32/95/83/559329583.db2.gz LRNNGTVMXFFVLB-MJGOQNOKSA-N 0 3 356.470 2.346 20 30 FEEDHN C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)CN1CCN(C)CC1 ZINC000416688320 559329864 /nfs/dbraw/zinc/32/98/64/559329864.db2.gz PABOJIAUIACLEO-JXFKEZNVSA-N 0 3 369.513 2.118 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H](CO)C2)cc1 ZINC000417050346 559345785 /nfs/dbraw/zinc/34/57/85/559345785.db2.gz JWFGVYWOMHCDGR-NFAWXSAZSA-N 0 3 365.455 2.045 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CS[C@H](C)C2)cc1 ZINC000417052907 559345997 /nfs/dbraw/zinc/34/59/97/559345997.db2.gz QXGVKGOMDWWCTM-MDZLAQPJSA-N 0 3 353.469 2.388 20 30 FEEDHN C[C@H]1CN(CCO)[C@@H](C)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000419327458 559437405 /nfs/dbraw/zinc/43/74/05/559437405.db2.gz CZZJJRGNCIKBAD-GJZGRUSLSA-N 0 3 356.388 2.324 20 30 FEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@H]1CCCN1CCCO ZINC000419604955 559449625 /nfs/dbraw/zinc/44/96/25/559449625.db2.gz CZJHYIPUSGZYEV-IEBWSBKVSA-N 0 3 356.470 2.082 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(C#N)cn1CC ZINC000421179333 559529271 /nfs/dbraw/zinc/52/92/71/559529271.db2.gz ZTNIZCXDALJDSP-GXTWGEPZSA-N 0 3 361.446 2.161 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CCN(CC=C)CC1 ZINC000422291287 559576041 /nfs/dbraw/zinc/57/60/41/559576041.db2.gz CYLBFXWKWSYMAW-LJQANCHMSA-N 0 3 355.482 2.057 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)CCN1Cc1ccccc1 ZINC000422307697 559577351 /nfs/dbraw/zinc/57/73/51/559577351.db2.gz OMHFXMXLRJNVJM-AEFFLSMTSA-N 0 3 370.497 2.212 20 30 FEEDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000422309034 559577619 /nfs/dbraw/zinc/57/76/19/559577619.db2.gz KMJUMWQDRGJAAA-HNNXBMFYSA-N 0 3 350.507 2.059 20 30 FEEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422396019 559584853 /nfs/dbraw/zinc/58/48/53/559584853.db2.gz HWWPPJBESXRTMJ-SFHVURJKSA-N 0 3 372.513 2.315 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000422536672 559593549 /nfs/dbraw/zinc/59/35/49/559593549.db2.gz DDSLCNHCZPBYKK-UHOSZYNNSA-N 0 3 357.498 2.231 20 30 FEEDHN N#CCCC[C@H](N)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000424066940 559653460 /nfs/dbraw/zinc/65/34/60/559653460.db2.gz UVMUOMOVMMIXFA-JTQLQIEISA-N 0 3 374.754 2.039 20 30 FEEDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)cc1 ZINC000424113897 559655129 /nfs/dbraw/zinc/65/51/29/559655129.db2.gz OXDSWPVQDMCHHS-WMZOPIPTSA-N 0 3 371.485 2.376 20 30 FEEDHN COc1cc(NC2CCN(C(=O)[C@H](N)CCCC#N)CC2)cc(OC)c1 ZINC000424140927 559655867 /nfs/dbraw/zinc/65/58/67/559655867.db2.gz GAWDTOBINZSQFR-GOSISDBHSA-N 0 3 360.458 2.128 20 30 FEEDHN COc1cc(NC(=O)[C@@H](N)CCCC#N)cc(OC)c1Br ZINC000424163771 559656540 /nfs/dbraw/zinc/65/65/40/559656540.db2.gz AQKHMSLAGZFGHK-JTQLQIEISA-N 0 3 356.220 2.426 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000424165023 559656651 /nfs/dbraw/zinc/65/66/51/559656651.db2.gz DBFBHKZHQJIYJI-MRXNPFEDSA-N 0 3 350.850 2.132 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000424175785 559656815 /nfs/dbraw/zinc/65/68/15/559656815.db2.gz ODQWAJSJYMQPFU-HNNXBMFYSA-N 0 3 354.376 2.375 20 30 FEEDHN Cc1cc(CN)cc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000424423565 559663988 /nfs/dbraw/zinc/66/39/88/559663988.db2.gz GOTIZFGXOMGKST-KRWDZBQOSA-N 0 3 351.410 2.406 20 30 FEEDHN C=CCC1(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCOCC1 ZINC000424753840 559675717 /nfs/dbraw/zinc/67/57/17/559675717.db2.gz BYXCSVUEHNIWAS-LJQANCHMSA-N 0 3 358.482 2.242 20 30 FEEDHN CC(C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)S(C)(=O)=O ZINC000425090679 559686839 /nfs/dbraw/zinc/68/68/39/559686839.db2.gz VINJAKCZDVPZIW-MNOVXSKESA-N 0 3 362.373 2.379 20 30 FEEDHN C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CN1CCN(C)CC1 ZINC000425468433 559703767 /nfs/dbraw/zinc/70/37/67/559703767.db2.gz DOXNWYOZOAJBSE-IRXDYDNUSA-N 0 3 357.502 2.144 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000425652555 559713135 /nfs/dbraw/zinc/71/31/35/559713135.db2.gz NSDWQFVZVYYFAV-INIZCTEOSA-N 0 3 357.502 2.287 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000425810349 559720634 /nfs/dbraw/zinc/72/06/34/559720634.db2.gz LUIXUXLESYKAMP-AZUAARDMSA-N 0 3 374.444 2.230 20 30 FEEDHN C=CCn1cc(CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)nn1 ZINC000425874731 559723604 /nfs/dbraw/zinc/72/36/04/559723604.db2.gz LPGVEUZCYMMBGN-UHFFFAOYSA-N 0 3 356.474 2.174 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000425891002 559724193 /nfs/dbraw/zinc/72/41/93/559724193.db2.gz OIFHJHBHJFGXCY-DLBZAZTESA-N 0 3 370.497 2.458 20 30 FEEDHN N#Cc1cccc(F)c1CC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428547701 559777767 /nfs/dbraw/zinc/77/77/67/559777767.db2.gz NOQCMOAZZVALAU-QGZVFWFLSA-N 0 3 353.397 2.445 20 30 FEEDHN C=CCN(CCC#N)CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000428865060 559785117 /nfs/dbraw/zinc/78/51/17/559785117.db2.gz FVJWOALTRPICCR-UHFFFAOYSA-N 0 3 354.498 2.477 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(O)(C(F)F)CC1)C(C)C ZINC000429943819 559809393 /nfs/dbraw/zinc/80/93/93/559809393.db2.gz KPIMKLSXLWHAJK-HNNXBMFYSA-N 0 3 359.461 2.487 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)c2ncc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000432196052 559854061 /nfs/dbraw/zinc/85/40/61/559854061.db2.gz MGGBWRICNMMHPR-CHWSQXEVSA-N 0 3 350.850 2.226 20 30 FEEDHN N#CCCC[C@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000433016021 559870097 /nfs/dbraw/zinc/87/00/97/559870097.db2.gz MXUCDIVKGOQGKL-IBGZPJMESA-N 0 3 368.481 2.092 20 30 FEEDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433348241 559877900 /nfs/dbraw/zinc/87/79/00/559877900.db2.gz TYZGQQWRNAADNL-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN C=CCN1CCC(NC(=O)NCC2(CO)CC(c3ccccc3)C2)CC1 ZINC000434175005 559895206 /nfs/dbraw/zinc/89/52/06/559895206.db2.gz SFGDANPBTSMILE-UHFFFAOYSA-N 0 3 357.498 2.492 20 30 FEEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@H](O)CN2CCCCC2)c1C#N ZINC000434454487 559900698 /nfs/dbraw/zinc/90/06/98/559900698.db2.gz ATPYROBFHJCISP-CQSZACIVSA-N 0 3 374.510 2.129 20 30 FEEDHN N#CCCn1cc(CN2CCCC[C@H]2CC(N)=O)c(-c2ccncc2)n1 ZINC000435132563 559916991 /nfs/dbraw/zinc/91/69/91/559916991.db2.gz KGBICHVRHOWCEX-KRWDZBQOSA-N 0 3 352.442 2.089 20 30 FEEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000435150861 559917194 /nfs/dbraw/zinc/91/71/94/559917194.db2.gz UPPOZWDUEVVORG-FQEVSTJZSA-N 0 3 368.412 2.456 20 30 FEEDHN CCN1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3OC(F)F)C2)CC1 ZINC000439532153 559996532 /nfs/dbraw/zinc/99/65/32/559996532.db2.gz SCYGRFWLVUBVLW-QGZVFWFLSA-N 0 3 364.440 2.371 20 30 FEEDHN CCN1CCN([C@H]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)CC1 ZINC000443523822 560086289 /nfs/dbraw/zinc/08/62/89/560086289.db2.gz QSQMRXOENWUGRK-ZDUSSCGKSA-N 0 3 353.392 2.188 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000448705394 560195224 /nfs/dbraw/zinc/19/52/24/560195224.db2.gz BHMPFGUYRIRVQE-UXHICEINSA-N 0 3 357.498 2.031 20 30 FEEDHN C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)N(C)C1CC1 ZINC000449834194 560241909 /nfs/dbraw/zinc/24/19/09/560241909.db2.gz JHJBGWCOZDVJPK-NSHDSACASA-N 0 3 366.259 2.298 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCN1C ZINC000449938646 560245802 /nfs/dbraw/zinc/24/58/02/560245802.db2.gz GLZJPYAZUYYHLT-RYUDHWBXSA-N 0 3 366.259 2.298 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1N(C)C ZINC000450265961 560256335 /nfs/dbraw/zinc/25/63/35/560256335.db2.gz MMMHQYKBIALQJD-STQMWFEESA-N 0 3 368.300 2.438 20 30 FEEDHN CN1CCN(CC2(C)CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)CC1 ZINC000450443251 560262289 /nfs/dbraw/zinc/26/22/89/560262289.db2.gz UZFHUNIRGXFKDE-UHFFFAOYSA-N 0 3 357.458 2.320 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)COc1cccc(Br)c1C#N ZINC000450702166 560270860 /nfs/dbraw/zinc/27/08/60/560270860.db2.gz PZUOZDXBXRTPJX-UHFFFAOYSA-N 0 3 366.259 2.252 20 30 FEEDHN COC1CCN(C2(CNS(=O)(=O)CC3(CC#N)CC3)CCCC2)CC1 ZINC000451175014 560291440 /nfs/dbraw/zinc/29/14/40/560291440.db2.gz GVHYPVJMIBAENW-UHFFFAOYSA-N 0 3 369.531 2.023 20 30 FEEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000451512406 560311189 /nfs/dbraw/zinc/31/11/89/560311189.db2.gz XLJQSONYMDTKTB-JKSUJKDBSA-N 0 3 353.426 2.086 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000451673889 560321233 /nfs/dbraw/zinc/32/12/33/560321233.db2.gz MEUANZJDISJGIK-MSOLQXFVSA-N 0 3 359.470 2.430 20 30 FEEDHN C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN(Cc2ccccc2)C1 ZINC000451706071 560323409 /nfs/dbraw/zinc/32/34/09/560323409.db2.gz JRKFHOLUSKXZNO-UTKZUKDTSA-N 0 3 354.498 2.249 20 30 FEEDHN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000452009135 560345175 /nfs/dbraw/zinc/34/51/75/560345175.db2.gz CBSNUMOTIIUIAW-HNNXBMFYSA-N 0 3 358.552 2.155 20 30 FEEDHN O=C(CN1CC[C@@H](CCCO)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000452122526 560352719 /nfs/dbraw/zinc/35/27/19/560352719.db2.gz HLUFQFCIMIDASN-MRXNPFEDSA-N 0 3 368.399 2.268 20 30 FEEDHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)cc1 ZINC000453012665 560381073 /nfs/dbraw/zinc/38/10/73/560381073.db2.gz JWSKPGIBONFWFV-UHFFFAOYSA-N 0 3 365.437 2.239 20 30 FEEDHN C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453450962 560386969 /nfs/dbraw/zinc/38/69/69/560386969.db2.gz RLBCVKYBINTKCC-QGZVFWFLSA-N 0 3 357.506 2.245 20 30 FEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453676595 560395792 /nfs/dbraw/zinc/39/57/92/560395792.db2.gz UKTJWIGYJQTOAM-SFHVURJKSA-N 0 3 356.470 2.318 20 30 FEEDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2cc(C)cc(C#N)c2)o1 ZINC000453703611 560398024 /nfs/dbraw/zinc/39/80/24/560398024.db2.gz AZVHYTQUMLTDJU-UHFFFAOYSA-N 0 3 368.437 2.297 20 30 FEEDHN Cc1nc(NC(=O)C(=O)N(CCN(C)C)CC2CCCCC2)ccc1C#N ZINC000453710659 560398756 /nfs/dbraw/zinc/39/87/56/560398756.db2.gz PNVCBMMQFCYHGI-UHFFFAOYSA-N 0 3 371.485 2.171 20 30 FEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453713515 560398980 /nfs/dbraw/zinc/39/89/80/560398980.db2.gz INVAYAPUVQZKEK-BLLLJJGKSA-N 0 3 362.861 2.143 20 30 FEEDHN C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000453883352 560410502 /nfs/dbraw/zinc/41/05/02/560410502.db2.gz UNQSMXXHRMHBDW-UHFFFAOYSA-N 0 3 372.513 2.404 20 30 FEEDHN C=CCCCCNC(=O)N1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000454825020 560459534 /nfs/dbraw/zinc/45/95/34/560459534.db2.gz YDBRIQLBORXTFW-LJQANCHMSA-N 0 3 364.534 2.319 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CCN(C)CCOC)c1ccccc1 ZINC000455393649 560480651 /nfs/dbraw/zinc/48/06/51/560480651.db2.gz CNGAWUUWZCFCRJ-OTWHNJEPSA-N 0 3 361.486 2.339 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@H]3CCN(C(C)C)C3)C2)n1 ZINC000457142186 560552629 /nfs/dbraw/zinc/55/26/29/560552629.db2.gz ZVUBFVAGNWEAEQ-MOPGFXCFSA-N 0 3 369.513 2.419 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CCN(C(C)C)C3)C2)n1 ZINC000457142188 560552809 /nfs/dbraw/zinc/55/28/09/560552809.db2.gz ZVUBFVAGNWEAEQ-OALUTQOASA-N 0 3 369.513 2.419 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000457644593 560579577 /nfs/dbraw/zinc/57/95/77/560579577.db2.gz HBVSAZHDQQHCSH-QYZOEREBSA-N 0 3 350.503 2.461 20 30 FEEDHN CN(C)Cc1ccc(N2CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)nc1 ZINC000459004534 560661244 /nfs/dbraw/zinc/66/12/44/560661244.db2.gz GUSMUHCDBQPONR-WMZOPIPTSA-N 0 3 370.501 2.057 20 30 FEEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000459318978 560679443 /nfs/dbraw/zinc/67/94/43/560679443.db2.gz ZZSYBFJCBBPGMW-OAHLLOKOSA-N 0 3 354.458 2.126 20 30 FEEDHN CC(C)N1CCN(C2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000459400102 560684415 /nfs/dbraw/zinc/68/44/15/560684415.db2.gz ZJKNYVZMWSAVFG-UHFFFAOYSA-N 0 3 371.485 2.457 20 30 FEEDHN N#CCCN(C(=O)CNC1(CO)CCSCC1)c1cccc(Cl)c1 ZINC000459709018 560703727 /nfs/dbraw/zinc/70/37/27/560703727.db2.gz KDZXWPFZYFPNKZ-UHFFFAOYSA-N 0 3 367.902 2.434 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000459993104 560727183 /nfs/dbraw/zinc/72/71/83/560727183.db2.gz UFXQPGQAXNSUKB-IBGZPJMESA-N 0 3 355.482 2.288 20 30 FEEDHN Cc1nsc(N2CCN(C(=O)[C@H](C)N3[C@H](C)CC[C@@H]3C)CC2)c1C#N ZINC000461202322 560763879 /nfs/dbraw/zinc/76/38/79/560763879.db2.gz ZMJSMXDPLCJHAQ-GUTXKFCHSA-N 0 3 361.515 2.233 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N(C)CCN(C)C1CCCCC1 ZINC000463699555 560821767 /nfs/dbraw/zinc/82/17/67/560821767.db2.gz RDSSXXZRTGXNAS-UHFFFAOYSA-N 0 3 365.499 2.452 20 30 FEEDHN COc1ccc(C2(CN[C@@H](C)C(=O)NC3(C#N)CCC3)CCOCC2)cc1 ZINC000468813445 560939387 /nfs/dbraw/zinc/93/93/87/560939387.db2.gz CBXISSSOCJLOHF-INIZCTEOSA-N 0 3 371.481 2.284 20 30 FEEDHN CN1CCCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000470543439 560984188 /nfs/dbraw/zinc/98/41/88/560984188.db2.gz MWXMWUVAHGLEPI-UHFFFAOYSA-N 0 3 369.469 2.439 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000470746829 560988564 /nfs/dbraw/zinc/98/85/64/560988564.db2.gz VTNGAGYXGKUNKE-GOSISDBHSA-N 0 3 361.401 2.371 20 30 FEEDHN CNC(=O)c1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000470752904 560988746 /nfs/dbraw/zinc/98/87/46/560988746.db2.gz BFDNSAZEJJWFLI-IBGZPJMESA-N 0 3 360.417 2.259 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@](C)(C(=O)OC)C1)C(C)C ZINC000470900297 560993266 /nfs/dbraw/zinc/99/32/66/560993266.db2.gz OTQZABMHPMQCNG-LPHOPBHVSA-N 0 3 351.491 2.280 20 30 FEEDHN CCO[C@H](C)c1noc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000470972497 560995482 /nfs/dbraw/zinc/99/54/82/560995482.db2.gz WPGUBCMOUQFYKN-CJNGLKHVSA-N 0 3 367.409 2.380 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3ccccc3)C(=O)C2)cc1 ZINC000471133669 560999028 /nfs/dbraw/zinc/99/90/28/560999028.db2.gz PZGSYVVUHXQOFO-GOSISDBHSA-N 0 3 358.401 2.116 20 30 FEEDHN N#Cc1cccc(NC(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000472439211 561026516 /nfs/dbraw/zinc/02/65/16/561026516.db2.gz LHXSMOCBYJIEAS-UHFFFAOYSA-N 0 3 368.397 2.014 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000472490862 561027649 /nfs/dbraw/zinc/02/76/49/561027649.db2.gz ZXKYUQUXVCZQNW-HNNXBMFYSA-N 0 3 361.361 2.129 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000472999302 561040036 /nfs/dbraw/zinc/04/00/36/561040036.db2.gz ITUDENSZYFVRAQ-QZTJIDSGSA-N 0 3 350.507 2.068 20 30 FEEDHN Cc1cc(NC(=O)c2cnn(C)c2C#N)cc(N2CCN(C(C)C)CC2)c1 ZINC000477023485 561134359 /nfs/dbraw/zinc/13/43/59/561134359.db2.gz HALRNBDRDLBVAH-UHFFFAOYSA-N 0 3 366.469 2.383 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000528405418 562327194 /nfs/dbraw/zinc/32/71/94/562327194.db2.gz SIIRNGHPUXTFOP-RCCFBDPRSA-N 0 3 356.422 2.479 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000528427472 562328833 /nfs/dbraw/zinc/32/88/33/562328833.db2.gz ZEUNUTBHPKYYHF-SJLPKXTDSA-N 0 3 367.453 2.104 20 30 FEEDHN CC1(C)[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@H]2CCCO[C@@H]21 ZINC000528518953 562333684 /nfs/dbraw/zinc/33/36/84/562333684.db2.gz KVSWGDSDUREWSR-KURKYZTESA-N 0 3 352.434 2.079 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2c(cnn2C)c1 ZINC000530854934 562426368 /nfs/dbraw/zinc/42/63/68/562426368.db2.gz CJBGLPYGVGXCQD-UHFFFAOYSA-N 0 3 362.437 2.044 20 30 FEEDHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000532274859 562472347 /nfs/dbraw/zinc/47/23/47/562472347.db2.gz DKIKIRBFGRAMON-UHFFFAOYSA-N 0 3 362.861 2.483 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(F)ccc(OCC)c2F)CC1 ZINC000534616914 562538316 /nfs/dbraw/zinc/53/83/16/562538316.db2.gz QHOLEFPFDRKUMG-UHFFFAOYSA-N 0 3 367.396 2.069 20 30 FEEDHN CC(C#N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC000535935819 562571200 /nfs/dbraw/zinc/57/12/00/562571200.db2.gz KBDKHPDVEXHZLZ-OAHLLOKOSA-N 0 3 363.483 2.024 20 30 FEEDHN CCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCC1 ZINC000537255806 562588923 /nfs/dbraw/zinc/58/89/23/562588923.db2.gz VYSIXRACKOXWRM-IBGZPJMESA-N 0 3 358.461 2.409 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCS[C@@H](C)CC1)C(C)C ZINC000556209899 674392204 /nfs/dbraw/zinc/39/22/04/674392204.db2.gz ZOFVLSKYPXLDIT-DLBZAZTESA-N 0 3 367.559 2.155 20 30 FEEDHN C=CCCC(C)(C)CNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000636697903 567841049 /nfs/dbraw/zinc/84/10/49/567841049.db2.gz MWQARQPFBOMEOG-UHFFFAOYSA-N 0 3 367.534 2.101 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[C@H]2C#N)c(OCCN(C)C)c1 ZINC000602072565 567916315 /nfs/dbraw/zinc/91/63/15/567916315.db2.gz DECBKXUKNOADON-RDJZCZTQSA-N 0 3 372.469 2.025 20 30 FEEDHN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](N)CCCC#N ZINC000602580643 567993631 /nfs/dbraw/zinc/99/36/31/567993631.db2.gz XZUICPGZSNAMBJ-ZFWWWQNUSA-N 0 3 374.268 2.213 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCCN(C)S(=O)(=O)c1cccs1 ZINC000602574622 567996458 /nfs/dbraw/zinc/99/64/58/567996458.db2.gz KQEQJFRXPPHTAW-CQSZACIVSA-N 0 3 371.528 2.057 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2c3ccccc3C(=O)N2C)CC1 ZINC000636743109 568000863 /nfs/dbraw/zinc/00/08/63/568000863.db2.gz VQJCPSQAGYFJTI-GOSISDBHSA-N 0 3 356.470 2.153 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1Cl ZINC000603660719 568134635 /nfs/dbraw/zinc/13/46/35/568134635.db2.gz NPWWUEAVTLHOOI-UHFFFAOYSA-N 0 3 362.842 2.118 20 30 FEEDHN Cc1nccc([C@H]2CCCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000603834463 568158759 /nfs/dbraw/zinc/15/87/59/568158759.db2.gz VARWMHPXYCRZHT-RBUKOAKNSA-N 0 3 366.465 2.470 20 30 FEEDHN Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)ncc1C#N ZINC000569017146 568271513 /nfs/dbraw/zinc/27/15/13/568271513.db2.gz KXAGTHTVUWTZIV-QGZVFWFLSA-N 0 3 371.485 2.073 20 30 FEEDHN N#Cc1cnn2cc(CNc3cccc(CN4CCC(O)CC4)c3)cnc12 ZINC000569847322 568428138 /nfs/dbraw/zinc/42/81/38/568428138.db2.gz MTOWQTOEMWJXDS-UHFFFAOYSA-N 0 3 362.437 2.170 20 30 FEEDHN C=C1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000735403132 598504744 /nfs/dbraw/zinc/50/47/44/598504744.db2.gz PXCOGFGVDKQDMM-UHFFFAOYSA-N 0 3 358.471 2.398 20 30 FEEDHN COc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1C#N ZINC000826202995 607568288 /nfs/dbraw/zinc/56/82/88/607568288.db2.gz VTXVFROWBBJGND-UHFFFAOYSA-N 0 3 350.382 2.045 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2ncccn2)cc1Cl ZINC000813059793 674715311 /nfs/dbraw/zinc/71/53/11/674715311.db2.gz HZWFBMQYWLINOB-LBPRGKRZSA-N 0 3 358.785 2.419 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H](c3nnc[nH]3)C1)CCC2 ZINC000563884634 674949856 /nfs/dbraw/zinc/94/98/56/674949856.db2.gz WJZJUGSVUGJMMP-NSHDSACASA-N 0 3 356.455 2.045 20 30 FEEDHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000815530183 674957518 /nfs/dbraw/zinc/95/75/18/674957518.db2.gz BATDMCVPIMCNOD-GFCCVEGCSA-N 0 3 362.499 2.456 20 30 FEEDHN CO[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000816038420 675000716 /nfs/dbraw/zinc/00/07/16/675000716.db2.gz WSACIKASKFRGLR-MGPQQGTHSA-N 0 3 350.365 2.495 20 30 FEEDHN CC[C@H](CC#N)NC[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816570590 675065814 /nfs/dbraw/zinc/06/58/14/675065814.db2.gz ZLVWIJSFSZAKER-LSDHHAIUSA-N 0 3 352.479 2.032 20 30 FEEDHN CS(=O)(=O)CCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000108937943 670834344 /nfs/dbraw/zinc/83/43/44/670834344.db2.gz JHUOOVGPQYRXAK-OAHLLOKOSA-N 0 3 358.419 2.312 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccccc1Br ZINC000112484005 670872496 /nfs/dbraw/zinc/87/24/96/670872496.db2.gz MXKJRRIOZNYILM-MNOVXSKESA-N 0 3 351.200 2.227 20 30 FEEDHN COc1cc(Br)ccc1[C@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000566124971 675183747 /nfs/dbraw/zinc/18/37/47/675183747.db2.gz MCSOLCRJZGKAGN-GXTWGEPZSA-N 0 3 370.291 2.315 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(F)c1 ZINC000125533499 672013218 /nfs/dbraw/zinc/01/32/18/672013218.db2.gz ZVVNPLOAZPGKSI-CZUORRHYSA-N 0 3 350.390 2.233 20 30 FEEDHN CC(C)CN1CCCC[C@@H]1CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000591756881 672708457 /nfs/dbraw/zinc/70/84/57/672708457.db2.gz XXGKYGALSWIIOH-GOSISDBHSA-N 0 3 363.527 2.432 20 30 FEEDHN CSc1ccc([C@@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)N(C)C)cc1 ZINC000592026531 672735976 /nfs/dbraw/zinc/73/59/76/672735976.db2.gz AWOZIJNOPKIAIR-AEFFLSMTSA-N 0 3 362.499 2.071 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@@H]2C1 ZINC000593589997 672952439 /nfs/dbraw/zinc/95/24/39/672952439.db2.gz WPPPFVDUKIDWQG-MLGOLLRUSA-N 0 3 362.271 2.416 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000612484507 676084185 /nfs/dbraw/zinc/08/41/85/676084185.db2.gz BNUUHVLGSKZEMW-INIZCTEOSA-N 0 3 363.527 2.499 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1Cl ZINC000594325121 673058627 /nfs/dbraw/zinc/05/86/27/673058627.db2.gz BGXIHOCSKAIWIJ-CVEARBPZSA-N 0 3 360.845 2.283 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000328716990 673065446 /nfs/dbraw/zinc/06/54/46/673065446.db2.gz FBLGUOQGMIJRBU-NUJGCVRESA-N 0 3 353.507 2.291 20 30 FEEDHN COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@H](N)CCCCC#N ZINC000594446858 673073610 /nfs/dbraw/zinc/07/36/10/673073610.db2.gz YKNFPZGRSDEETP-CYBMUJFWSA-N 0 3 366.849 2.205 20 30 FEEDHN COCCN1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)C1 ZINC000329246379 673073877 /nfs/dbraw/zinc/07/38/77/673073877.db2.gz RCFDMDPIPHUSLW-GVDBMIGSSA-N 0 3 351.491 2.092 20 30 FEEDHN C=CC[C@@H]1CCCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000594821061 673152617 /nfs/dbraw/zinc/15/26/17/673152617.db2.gz GIAWVMZFIWEADJ-NEPJUHHUSA-N 0 3 357.394 2.488 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1F ZINC000594853956 673164314 /nfs/dbraw/zinc/16/43/14/673164314.db2.gz BMXWRERXWVJWIN-CQSZACIVSA-N 0 3 351.447 2.383 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1F ZINC000594853955 673164346 /nfs/dbraw/zinc/16/43/46/673164346.db2.gz BMXWRERXWVJWIN-AWEZNQCLSA-N 0 3 351.447 2.383 20 30 FEEDHN CCOCCOCC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000729888832 673251783 /nfs/dbraw/zinc/25/17/83/673251783.db2.gz IYLFZCXYCCOMQE-LBPRGKRZSA-N 0 3 368.817 2.358 20 30 FEEDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595630719 673276260 /nfs/dbraw/zinc/27/62/60/673276260.db2.gz BHWXFBVMVDMGON-VMGRFDJRSA-N 0 3 365.861 2.306 20 30 FEEDHN C=CCNC(=O)NC(=O)CN[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670307 673281345 /nfs/dbraw/zinc/28/13/45/673281345.db2.gz BCVIFONXTFHJME-SFHVURJKSA-N 0 3 365.861 2.033 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(SC)cc1 ZINC000741110511 673670970 /nfs/dbraw/zinc/67/09/70/673670970.db2.gz FPFZPVHSFGFOGS-SWLSCSKDSA-N 0 3 350.440 2.037 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)cc1Cl ZINC000600062955 673738050 /nfs/dbraw/zinc/73/80/50/673738050.db2.gz KVUKEOKZRYEUFB-OAHLLOKOSA-N 0 3 360.845 2.283 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600758927 673797125 /nfs/dbraw/zinc/79/71/25/673797125.db2.gz DGVPTZLEQZZIGV-HZPDHXFCSA-N 0 3 360.285 2.213 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000547343710 673844703 /nfs/dbraw/zinc/84/47/03/673844703.db2.gz XPWBGSOFIRWPQE-MRXNPFEDSA-N 0 3 363.424 2.372 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000601372444 673850425 /nfs/dbraw/zinc/85/04/25/673850425.db2.gz YFZNQERSFLMEOS-BBRMVZONSA-N 0 3 351.447 2.111 20 30 FEEDHN CC(C)(C)S(=O)(=O)N1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602018230 673901355 /nfs/dbraw/zinc/90/13/55/673901355.db2.gz XRKOVKIJBFTLCN-UHFFFAOYSA-N 0 3 353.463 2.380 20 30 FEEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000747203999 673912505 /nfs/dbraw/zinc/91/25/05/673912505.db2.gz GHXXPTRXUHMXMT-XJKSGUPXSA-N 0 3 364.467 2.213 20 30 FEEDHN N#CCNC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000567297179 675282009 /nfs/dbraw/zinc/28/20/09/675282009.db2.gz OYZJNABDFZNMEH-INIZCTEOSA-N 0 3 355.360 2.402 20 30 FEEDHN OCCN1CCC(=NNC(=S)Nc2ccccc2C(F)(F)F)CC1 ZINC000819806859 675316138 /nfs/dbraw/zinc/31/61/38/675316138.db2.gz ZLSJFUZRQWNWHG-UHFFFAOYSA-N 0 3 360.405 2.436 20 30 FEEDHN N#CC(C(=O)CSCC(F)(F)F)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000762022866 680737997 /nfs/dbraw/zinc/73/79/97/680737997.db2.gz CCIRYVSAEHNCSL-SNVBAGLBSA-N 0 3 374.340 2.401 20 30 FEEDHN C[C@@H](O)CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(F)F ZINC000832203906 680110170 /nfs/dbraw/zinc/11/01/70/680110170.db2.gz CZZXKDJZAZVFHH-MNOVXSKESA-N 0 3 353.394 2.420 20 30 FEEDHN C=C(Br)CN[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1(C)C ZINC000995920567 680312186 /nfs/dbraw/zinc/31/21/86/680312186.db2.gz CKGUNXBTUIEROY-BZPMIXESSA-N 0 3 367.291 2.248 20 30 FEEDHN C=C(Br)CN[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1(C)C ZINC000995920567 680312187 /nfs/dbraw/zinc/31/21/87/680312187.db2.gz CKGUNXBTUIEROY-BZPMIXESSA-N 0 3 367.291 2.248 20 30 FEEDHN C[C@@]1(C(N)=O)CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000755254149 680406905 /nfs/dbraw/zinc/40/69/05/680406905.db2.gz TXLFNTGHOHUROF-SGTLLEGYSA-N 0 3 356.451 2.202 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000836395707 680463492 /nfs/dbraw/zinc/46/34/92/680463492.db2.gz XNHZTLYRKZMNLB-CQSZACIVSA-N 0 3 366.868 2.312 20 30 FEEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@@]1=O ZINC000759867863 680670562 /nfs/dbraw/zinc/67/05/62/680670562.db2.gz KEHOFMBOXAEQCW-VXMWWYGOSA-N 0 3 361.492 2.315 20 30 FEEDHN C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000759987160 680673743 /nfs/dbraw/zinc/67/37/43/680673743.db2.gz ULIJKJGKYXJOGV-GOEBONIOSA-N 0 3 351.447 2.347 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000768930860 680965263 /nfs/dbraw/zinc/96/52/63/680965263.db2.gz PDQNLCDONYLHAU-CQSZACIVSA-N 0 3 354.495 2.239 20 30 FEEDHN CCC1(CC)NC(=O)N(CC(=O)C(C#N)c2nc(C3CC3)cs2)C1=O ZINC000842939562 680976421 /nfs/dbraw/zinc/97/64/21/680976421.db2.gz QYHNLMCWDPGCIX-LLVKDONJSA-N 0 3 360.439 2.307 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)CC1 ZINC000773312623 681135682 /nfs/dbraw/zinc/13/56/82/681135682.db2.gz CFEXUPKNIRVSBC-UHFFFAOYSA-N 0 3 363.889 2.048 20 30 FEEDHN C=CCN1CCC(NC(=O)c2nc(Br)c3ccccn32)CC1 ZINC000932140637 681183175 /nfs/dbraw/zinc/18/31/75/681183175.db2.gz DTDCUTOOXJVMTA-UHFFFAOYSA-N 0 3 363.259 2.477 20 30 FEEDHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](CC#N)C(F)(F)F)cc1 ZINC000932903146 681325673 /nfs/dbraw/zinc/32/56/73/681325673.db2.gz OXFVQSNDBZQSRR-UONOGXRCSA-N 0 3 358.364 2.442 20 30 FEEDHN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCNC(C)(C)C1 ZINC000847544820 681393742 /nfs/dbraw/zinc/39/37/42/681393742.db2.gz BKNMWUVWWOQNTP-AWEZNQCLSA-N 0 3 352.479 2.174 20 30 FEEDHN CCCCCC[C@@](O)(CN1CCC2(CC1)CC(=O)C=CO2)C(=O)OC ZINC000933645366 681445295 /nfs/dbraw/zinc/44/52/95/681445295.db2.gz MWWSPWIISFQJBN-LJQANCHMSA-N 0 3 353.459 2.199 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(-c2nc(C)co2)ccc1C ZINC000849394932 681712279 /nfs/dbraw/zinc/71/22/79/681712279.db2.gz JUTGAHNOYCWXSW-UHFFFAOYSA-N 0 3 361.467 2.192 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1SC ZINC000850459894 681904520 /nfs/dbraw/zinc/90/45/20/681904520.db2.gz JGWGSIQCVHLGGA-UHFFFAOYSA-N 0 3 353.875 2.072 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C)ccc1C(F)(F)F ZINC000850459665 681904725 /nfs/dbraw/zinc/90/47/25/681904725.db2.gz CGUZPHRFEDMSCU-UHFFFAOYSA-N 0 3 355.360 2.024 20 30 FEEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916911547 685528562 /nfs/dbraw/zinc/52/85/62/685528562.db2.gz MTIGZJFULYXQEW-UWVGGRQHSA-N 0 3 363.830 2.297 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCn3c(cnc3C(F)(F)F)C2)CC1 ZINC000917142274 685530010 /nfs/dbraw/zinc/53/00/10/685530010.db2.gz XPHXNXLVIMAUCK-UHFFFAOYSA-N 0 3 357.380 2.078 20 30 FEEDHN CN1C[C@]2(C)CN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C[C@@]2(C)C1 ZINC000918369215 685538855 /nfs/dbraw/zinc/53/88/55/685538855.db2.gz QWBUXLUAFZJECC-RTBURBONSA-N 0 3 361.511 2.450 20 30 FEEDHN C=CCNc1nc(C(=O)OCCCN2CCN(C(C)C)CC2)cs1 ZINC000787584822 682466451 /nfs/dbraw/zinc/46/64/51/682466451.db2.gz LHGKPQHCSZTWDW-UHFFFAOYSA-N 0 3 352.504 2.314 20 30 FEEDHN C[C@@H]1c2nncn2CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000792378756 682807618 /nfs/dbraw/zinc/80/76/18/682807618.db2.gz CMLZXOMNMFHOLX-VXGBXAGGSA-N 0 3 352.423 2.141 20 30 FEEDHN CN(CCC(=O)C(C#N)C(=O)NC1CCCCC1)C(=O)OC(C)(C)C ZINC000796790634 683195891 /nfs/dbraw/zinc/19/58/91/683195891.db2.gz TVJRDIAZBVZNTP-CQSZACIVSA-N 0 3 351.447 2.401 20 30 FEEDHN C[C@H](NCCNc1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000927166262 683213589 /nfs/dbraw/zinc/21/35/89/683213589.db2.gz UXSBRDULMIDQQD-LBPRGKRZSA-N 0 3 362.430 2.259 20 30 FEEDHN CCCCCCCS(=O)(=O)N[C@@H]1C[C@@]2(CN(C)[C@H]2C(C)C)C[C@H]1O ZINC000920274159 683328322 /nfs/dbraw/zinc/32/83/22/683328322.db2.gz MMXZJJLTAMFUSO-BDXSIMOUSA-N 0 3 360.564 2.356 20 30 FEEDHN C#CCN(C(=O)N[C@@H]1CCOC2(CCSCC2)C1)C1CCN(C)CC1 ZINC000921555212 683500339 /nfs/dbraw/zinc/50/03/39/683500339.db2.gz DETWBDDTTUBNFU-MRXNPFEDSA-N 0 3 365.543 2.170 20 30 FEEDHN N#CCc1ccsc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000866215829 684083629 /nfs/dbraw/zinc/08/36/29/684083629.db2.gz LXJVXYRDQRGVFQ-LJQANCHMSA-N 0 3 355.463 2.181 20 30 FEEDHN N#C[C@]1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCOC1 ZINC000867941357 684430049 /nfs/dbraw/zinc/43/00/49/684430049.db2.gz VEPSNJMIPSZILM-ZBCRRDGASA-N 0 3 359.392 2.228 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000869705453 684645432 /nfs/dbraw/zinc/64/54/32/684645432.db2.gz FMNMJUCTCAPTNN-INIZCTEOSA-N 0 3 354.372 2.200 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1C(F)(F)CC ZINC000873896102 685241826 /nfs/dbraw/zinc/24/18/26/685241826.db2.gz NUFHSDMLZXGMGE-UHFFFAOYSA-N 0 3 351.397 2.198 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000876577456 686222835 /nfs/dbraw/zinc/22/28/35/686222835.db2.gz ZNFIBXYMOJEYBZ-CQSZACIVSA-N 0 3 356.253 2.094 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000876603924 686227280 /nfs/dbraw/zinc/22/72/80/686227280.db2.gz FDHYOFTXZXAOTQ-OAHLLOKOSA-N 0 3 368.840 2.408 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000876623302 686230329 /nfs/dbraw/zinc/23/03/29/686230329.db2.gz GLPFRKNPGSMHOO-INIZCTEOSA-N 0 3 361.873 2.284 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1 ZINC000876638001 686234556 /nfs/dbraw/zinc/23/45/56/686234556.db2.gz ZAEKQBUFGLDUOH-KBPBESRZSA-N 0 3 369.918 2.388 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000876751567 686260841 /nfs/dbraw/zinc/26/08/41/686260841.db2.gz ROPXOBVXUUWAMZ-JKSUJKDBSA-N 0 3 372.296 2.299 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000876751565 686261051 /nfs/dbraw/zinc/26/10/51/686261051.db2.gz ROPXOBVXUUWAMZ-HOTGVXAUSA-N 0 3 372.296 2.299 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000876945828 686299119 /nfs/dbraw/zinc/29/91/19/686299119.db2.gz JXWBYJMNXQXSGT-GDLCADMTSA-N 0 3 352.866 2.444 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000876983720 686304924 /nfs/dbraw/zinc/30/49/24/686304924.db2.gz UIQBTLKHUNSRHG-CYBMUJFWSA-N 0 3 364.808 2.446 20 30 FEEDHN COc1ccc(C[C@H](CO)CNCc2cc(C#N)cnc2Cl)cc1O ZINC000877527474 686402326 /nfs/dbraw/zinc/40/23/26/686402326.db2.gz OCEXRMGMJAHXKM-AWEZNQCLSA-N 0 3 361.829 2.262 20 30 FEEDHN CN(CCN1CC2(C1)CCOCC2)c1cc(C#N)c(Br)cn1 ZINC000882706303 687447879 /nfs/dbraw/zinc/44/78/79/687447879.db2.gz WICBVDKBOCHDHZ-UHFFFAOYSA-N 0 3 365.275 2.264 20 30 FEEDHN CCN(C(=O)Nc1ccc(Br)c(C#N)n1)[C@@H]1CCN(C)C1 ZINC000883117287 687569657 /nfs/dbraw/zinc/56/96/57/687569657.db2.gz VUGRWSZTMVNHHT-SNVBAGLBSA-N 0 3 352.236 2.274 20 30 FEEDHN C=CCC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000883215788 687588738 /nfs/dbraw/zinc/58/87/38/687588738.db2.gz GCHWEBUPAAYMTG-IRXDYDNUSA-N 0 3 368.455 2.472 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000892463877 689199785 /nfs/dbraw/zinc/19/97/85/689199785.db2.gz VCKWHNRANFLBHI-HZPDHXFCSA-N 0 3 350.459 2.366 20 30 FEEDHN C=C(CC[NH+](C)C)C(=O)Nc1cc(I)ccc1[O-] ZINC000901224330 690627322 /nfs/dbraw/zinc/62/73/22/690627322.db2.gz CBLGPAINIYHASQ-UHFFFAOYSA-N 0 3 360.195 2.443 20 30 FEEDHN CC[C@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(C#N)c1 ZINC000902863388 690814562 /nfs/dbraw/zinc/81/45/62/690814562.db2.gz YPTNVFCFGXETTF-MSOLQXFVSA-N 0 3 365.499 2.087 20 30 FEEDHN C=CCNC(=O)c1cccnc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164732054 720435291 /nfs/dbraw/zinc/43/52/91/720435291.db2.gz MWZSBYKIXZFSPI-RBUKOAKNSA-N 0 3 363.465 2.246 20 30 FEEDHN Cc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1C#N ZINC001164912383 721548500 /nfs/dbraw/zinc/54/85/00/721548500.db2.gz ZJXHWTNLUGLBPD-WBVHZDCISA-N 0 3 353.401 2.138 20 30 FEEDHN N#CCc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978005 722131541 /nfs/dbraw/zinc/13/15/41/722131541.db2.gz JDCCMRNTNVGVQO-UXHICEINSA-N 0 3 363.465 2.270 20 30 FEEDHN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCCN1CCN(C)CC1 ZINC000549197176 674023741 /nfs/dbraw/zinc/02/37/41/674023741.db2.gz PFFIKZPKRFCEEJ-UHFFFAOYSA-N 0 3 358.873 2.473 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(N(C)C)c1 ZINC000048238882 540353022 /nfs/dbraw/zinc/35/30/22/540353022.db2.gz OASSHADZVZDZJF-UHFFFAOYSA-N 0 3 351.454 2.223 20 30 FEEDHN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000535545027 540481731 /nfs/dbraw/zinc/48/17/31/540481731.db2.gz CAASBYZJQGKMRY-CTASWTNQSA-N 0 3 360.506 2.057 20 30 FEEDHN COCCN(CCOC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000054427579 540589518 /nfs/dbraw/zinc/58/95/18/540589518.db2.gz HHIDDLUXOWKSRV-UHFFFAOYSA-N 0 3 351.472 2.032 20 30 FEEDHN C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CC1 ZINC000057172567 540776121 /nfs/dbraw/zinc/77/61/21/540776121.db2.gz ITMJQTNBYNIGLJ-UHFFFAOYSA-N 0 3 350.422 2.029 20 30 FEEDHN CN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000060943283 541123837 /nfs/dbraw/zinc/12/38/37/541123837.db2.gz CIAOTAWNOMDHLA-GOSISDBHSA-N 0 3 368.433 2.396 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063724833 541181401 /nfs/dbraw/zinc/18/14/01/541181401.db2.gz JJGYHHBMOJHUIT-UHFFFAOYSA-N 0 3 358.486 2.129 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000063724833 541181403 /nfs/dbraw/zinc/18/14/03/541181403.db2.gz JJGYHHBMOJHUIT-UHFFFAOYSA-N 0 3 358.486 2.129 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(N)=O)c1 ZINC000065931059 541273348 /nfs/dbraw/zinc/27/33/48/541273348.db2.gz QVUMLJXGCGFMTR-UHFFFAOYSA-N 0 3 365.437 2.253 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCN(C)CC1 ZINC000066982360 541403296 /nfs/dbraw/zinc/40/32/96/541403296.db2.gz DSTOZEKDAJLWQE-ZDUSSCGKSA-N 0 3 360.483 2.230 20 30 FEEDHN C[C@@H]1CN(C2CCN(CCC(=O)Nc3ccccc3C#N)CC2)CCO1 ZINC000067400140 541458228 /nfs/dbraw/zinc/45/82/28/541458228.db2.gz CTQUXSYFDLPUOT-MRXNPFEDSA-N 0 3 356.470 2.072 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(Br)s1 ZINC000067651367 541495385 /nfs/dbraw/zinc/49/53/85/541495385.db2.gz CGDUOHNIQXHYRP-QMMMGPOBSA-N 0 3 352.275 2.116 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1sccc1Br ZINC000068141827 541555106 /nfs/dbraw/zinc/55/51/06/541555106.db2.gz CTGICFGWPISRFD-MRVPVSSYSA-N 0 3 352.275 2.116 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000068714473 541621944 /nfs/dbraw/zinc/62/19/44/541621944.db2.gz SGAGXWYXILPCOO-MRXNPFEDSA-N 0 3 353.466 2.336 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000068713839 541622122 /nfs/dbraw/zinc/62/21/22/541622122.db2.gz CCOUGFGZXDXNIU-HNNXBMFYSA-N 0 3 355.438 2.166 20 30 FEEDHN CCN(CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000069111077 541658367 /nfs/dbraw/zinc/65/83/67/541658367.db2.gz GQTNBJYNTHZHFU-MRXNPFEDSA-N 0 3 373.476 2.450 20 30 FEEDHN C[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)N(C)C1CC1 ZINC000069440502 541686983 /nfs/dbraw/zinc/68/69/83/541686983.db2.gz RCKACKRYFWHKCI-ZBFHGGJFSA-N 0 3 373.476 2.448 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)CC1 ZINC000073436515 541953723 /nfs/dbraw/zinc/95/37/23/541953723.db2.gz DSQPMHCWWZPETP-INIZCTEOSA-N 0 3 362.518 2.117 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000074659208 542109863 /nfs/dbraw/zinc/10/98/63/542109863.db2.gz NPMPQPUKMBJPRA-IAGOWNOFSA-N 0 3 357.502 2.192 20 30 FEEDHN CCN1CCN(CCC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000075536203 542186057 /nfs/dbraw/zinc/18/60/57/542186057.db2.gz AJARLTZONXQSRU-VQTJNVASSA-N 0 3 354.498 2.312 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000077276595 542360944 /nfs/dbraw/zinc/36/09/44/542360944.db2.gz YCJMASCOADNBQV-QGZVFWFLSA-N 0 3 359.470 2.430 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)N2CCCN(CCOC)CC2)cc1OC ZINC000077742880 542414851 /nfs/dbraw/zinc/41/48/51/542414851.db2.gz PQQXOVNKVRZTBQ-VQHVLOKHSA-N 0 3 374.481 2.454 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000078801207 542481544 /nfs/dbraw/zinc/48/15/44/542481544.db2.gz GAXCLNAZOTZFHN-GOSISDBHSA-N 0 3 374.485 2.177 20 30 FEEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C(F)F)cc1 ZINC000802042226 674159526 /nfs/dbraw/zinc/15/95/26/674159526.db2.gz OBZMFDDITMQFHV-AVGNSLFASA-N 0 3 350.321 2.412 20 30 FEEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCC1CCN(CC#N)CC1 ZINC000081733650 542674463 /nfs/dbraw/zinc/67/44/63/542674463.db2.gz INIJOESQDYKJMK-UHFFFAOYSA-N 0 3 354.454 2.460 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc(C#N)cn3C)CC2)C[C@@H](C)O1 ZINC000081808721 542678112 /nfs/dbraw/zinc/67/81/12/542678112.db2.gz DKYCGZRJWPYVQP-HZPDHXFCSA-N 0 3 358.486 2.248 20 30 FEEDHN N#Cc1ccncc1N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000094152283 542954695 /nfs/dbraw/zinc/95/46/95/542954695.db2.gz JJNZTEUOOKNHSE-GOSISDBHSA-N 0 3 362.481 2.387 20 30 FEEDHN COCCCOc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000102122662 543060811 /nfs/dbraw/zinc/06/08/11/543060811.db2.gz JNGUFGDPAGUGGP-HNNXBMFYSA-N 0 3 369.425 2.305 20 30 FEEDHN C[C@@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)N(C)C1CC1 ZINC000105264887 543167907 /nfs/dbraw/zinc/16/79/07/543167907.db2.gz WEJDWVUDUOVMHF-AWEZNQCLSA-N 0 3 359.449 2.012 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC000106340893 543224574 /nfs/dbraw/zinc/22/45/74/543224574.db2.gz BRYUSVWTHFUBSI-QGZVFWFLSA-N 0 3 364.534 2.221 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnc3ccccc3c2)CC1 ZINC000106349173 543224835 /nfs/dbraw/zinc/22/48/35/543224835.db2.gz FOKDIVAQULRCBP-UHFFFAOYSA-N 0 3 352.438 2.330 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](N4CCCC4)C3)cc2C1=O ZINC000107600809 543273180 /nfs/dbraw/zinc/27/31/80/543273180.db2.gz MCGOFWKMOVMOGA-INIZCTEOSA-N 0 3 367.449 2.169 20 30 FEEDHN COc1ccc(C)cc1C1(CN[C@H](C)C(=O)N(C)CCC#N)CCOCC1 ZINC000112535298 543450614 /nfs/dbraw/zinc/45/06/14/543450614.db2.gz BHSIOQKCXRAFIG-QGZVFWFLSA-N 0 3 373.497 2.402 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)oc2nc[nH]c(=O)c21)C(C)C ZINC000112919906 543468832 /nfs/dbraw/zinc/46/88/32/543468832.db2.gz CYVBPCVXNOTIJQ-AWEZNQCLSA-N 0 3 358.442 2.253 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000113406852 543487275 /nfs/dbraw/zinc/48/72/75/543487275.db2.gz NHMUDODEJHZWTD-GOSISDBHSA-N 0 3 370.501 2.049 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(Br)c1 ZINC000113498113 543489316 /nfs/dbraw/zinc/48/93/16/543489316.db2.gz ORCZIEDQAVXTEZ-MRVPVSSYSA-N 0 3 352.275 2.116 20 30 FEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000121867535 543700173 /nfs/dbraw/zinc/70/01/73/543700173.db2.gz WVXIFPSMHDUPSN-KRWDZBQOSA-N 0 3 374.485 2.400 20 30 FEEDHN C#CCSCCNC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000121469335 543694915 /nfs/dbraw/zinc/69/49/15/543694915.db2.gz LAAOVOWSXBHCEX-GOSISDBHSA-N 0 3 360.527 2.444 20 30 FEEDHN C=C(C)COc1cc(CNC[C@H]2CCCN2S(C)(=O)=O)ccc1OC ZINC000120189135 543677016 /nfs/dbraw/zinc/67/70/16/543677016.db2.gz OLUOQOGNFZXQQZ-MRXNPFEDSA-N 0 3 368.499 2.164 20 30 FEEDHN Cc1ccc([C@@H](CNCc2cnc3ccc(C#N)cn23)N2CCOCC2)o1 ZINC000123202855 543748122 /nfs/dbraw/zinc/74/81/22/543748122.db2.gz DEEOVNJPWNBTEJ-GOSISDBHSA-N 0 3 365.437 2.271 20 30 FEEDHN CC(C)N1CCN(c2cccc(N[C@H](C)C(=O)N(C)CCC#N)c2)CC1 ZINC000125027020 543856779 /nfs/dbraw/zinc/85/67/79/543856779.db2.gz TWSKDZLRYPYEDF-QGZVFWFLSA-N 0 3 357.502 2.389 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)CN1C1CC1 ZINC000127325697 543985886 /nfs/dbraw/zinc/98/58/86/543985886.db2.gz DLOZLQIMTZKOLA-DOTOQJQBSA-N 0 3 353.470 2.015 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2cc(-c3ccccc3)no2)c1C#N ZINC000128120432 544033309 /nfs/dbraw/zinc/03/33/09/544033309.db2.gz QHMCTJJTLLLRDJ-UHFFFAOYSA-N 0 3 350.382 2.341 20 30 FEEDHN Cc1cnc(COCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000802795799 674198686 /nfs/dbraw/zinc/19/86/86/674198686.db2.gz AHPSAQYGFXXZMN-CQSZACIVSA-N 0 3 361.785 2.178 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000133060556 544254259 /nfs/dbraw/zinc/25/42/59/544254259.db2.gz NSAWHXVIDBSDCO-FQEVSTJZSA-N 0 3 357.498 2.044 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC000135354197 544343741 /nfs/dbraw/zinc/34/37/41/544343741.db2.gz VHRFUACHXBZNAI-AWEZNQCLSA-N 0 3 362.440 2.305 20 30 FEEDHN CN1CCC(N(Cc2ccco2)C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000137528986 544391171 /nfs/dbraw/zinc/39/11/71/544391171.db2.gz KYIPMCHHWCQSJB-UHFFFAOYSA-N 0 3 366.417 2.483 20 30 FEEDHN Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153328365 544762759 /nfs/dbraw/zinc/76/27/59/544762759.db2.gz GCGLQKYZPBTZAH-CQSZACIVSA-N 0 3 354.458 2.372 20 30 FEEDHN CCc1ccc(NC(=O)[C@@H](C)N(C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000153341306 544763773 /nfs/dbraw/zinc/76/37/73/544763773.db2.gz BGWZAXUIKGGWCO-CYBMUJFWSA-N 0 3 354.458 2.318 20 30 FEEDHN CCCN1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000155055644 544982033 /nfs/dbraw/zinc/98/20/33/544982033.db2.gz ASGSMHJOVMOQMT-UHFFFAOYSA-N 0 3 372.469 2.228 20 30 FEEDHN C#C[C@H](NC(=O)CCN1CCN(CC)CC1)c1ccc(Cl)cc1F ZINC000804420414 674285574 /nfs/dbraw/zinc/28/55/74/674285574.db2.gz HVXDAVNEJIPYDT-KRWDZBQOSA-N 0 3 351.853 2.297 20 30 FEEDHN C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000186494922 327964659 /nfs/dbraw/zinc/96/46/59/327964659.db2.gz ROLYTDYUTXFGLK-FOIQADDNSA-N 0 3 364.449 2.096 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000188422300 328086092 /nfs/dbraw/zinc/08/60/92/328086092.db2.gz DZHCBOYZZFKZDI-OALUTQOASA-N 0 3 358.486 2.183 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192752347 328337455 /nfs/dbraw/zinc/33/74/55/328337455.db2.gz ZCLOGPYCKKKTMX-HUUCEWRRSA-N 0 3 373.501 2.290 20 30 FEEDHN N#Cc1cc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000192987415 328350738 /nfs/dbraw/zinc/35/07/38/328350738.db2.gz UXXXUOTUVGZPPX-INIZCTEOSA-N 0 3 373.453 2.498 20 30 FEEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Cn1cccn1 ZINC000054577943 324761813 /nfs/dbraw/zinc/76/18/13/324761813.db2.gz FJKVFVWMSHHCJU-KRWDZBQOSA-N 0 3 368.485 2.164 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(n3cncn3)CC2)cc1Cl ZINC000103471952 325520171 /nfs/dbraw/zinc/52/01/71/325520171.db2.gz UDZNXHCFMCWFNS-UHFFFAOYSA-N 0 3 358.833 2.469 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000120466848 326261084 /nfs/dbraw/zinc/26/10/84/326261084.db2.gz CJNVIBSBVHAUNR-GDBMZVCRSA-N 0 3 372.469 2.225 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000126904546 326497162 /nfs/dbraw/zinc/49/71/62/326497162.db2.gz VVJAKWFIZCRQLC-RTWAWAEBSA-N 0 3 351.450 2.255 20 30 FEEDHN Cc1occc1C(=O)NC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000156047193 326815497 /nfs/dbraw/zinc/81/54/97/326815497.db2.gz JUXGVUFSMJIYGW-IBGZPJMESA-N 0 3 353.422 2.388 20 30 FEEDHN C[C@H]1CN(CC2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000170780154 327098639 /nfs/dbraw/zinc/09/86/39/327098639.db2.gz AVLWJPBVRRTTBF-IRXDYDNUSA-N 0 3 370.497 2.318 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812392 327100106 /nfs/dbraw/zinc/10/01/06/327100106.db2.gz DBQHBVPODBBYBL-UHFFFAOYSA-N 0 3 370.497 2.130 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171908527 327169710 /nfs/dbraw/zinc/16/97/10/327169710.db2.gz OPJMCCSXGHQHNY-IBGZPJMESA-N 0 3 356.470 2.343 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)ccc1F ZINC000173866928 327289743 /nfs/dbraw/zinc/28/97/43/327289743.db2.gz GEQLEGGXAVKGEA-HNNXBMFYSA-N 0 3 351.447 2.240 20 30 FEEDHN N#Cc1ccc(CNCC2CCN(S(=O)(=O)c3ccccc3)CC2)o1 ZINC000174354226 327321777 /nfs/dbraw/zinc/32/17/77/327321777.db2.gz KZQNIPQVKSALHA-UHFFFAOYSA-N 0 3 359.451 2.342 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)COc3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000263833554 328966990 /nfs/dbraw/zinc/96/69/90/328966990.db2.gz TUIULCQJUNGHFT-IAGOWNOFSA-N 0 3 371.481 2.285 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c(C(F)(F)F)c1 ZINC000266074621 329187775 /nfs/dbraw/zinc/18/77/75/329187775.db2.gz APISYWOAPZMRBQ-LBPRGKRZSA-N 0 3 373.400 2.340 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H](C)[C@H](C)CO)c1C#N ZINC000273951466 329904929 /nfs/dbraw/zinc/90/49/29/329904929.db2.gz FMWLIFHUQLFJRC-OCCSQVGLSA-N 0 3 358.442 2.163 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000275888513 330100245 /nfs/dbraw/zinc/10/02/45/330100245.db2.gz PKXFWLSJZJTLMQ-LBPRGKRZSA-N 0 3 362.861 2.339 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000371456141 330243918 /nfs/dbraw/zinc/24/39/18/330243918.db2.gz FSMFZMWSQUKCNF-MSOLQXFVSA-N 0 3 370.453 2.267 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416705999 330262504 /nfs/dbraw/zinc/26/25/04/330262504.db2.gz MHGULFMDNDYAGV-JXFKEZNVSA-N 0 3 369.513 2.261 20 30 FEEDHN CN(C)[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000554797890 674336907 /nfs/dbraw/zinc/33/69/07/674336907.db2.gz HOBJWCCRBVKHRL-IBGZPJMESA-N 0 3 357.479 2.224 20 30 FEEDHN Cc1cc(NC(=O)CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)on1 ZINC000328655180 525099414 /nfs/dbraw/zinc/09/94/14/525099414.db2.gz YCMGSSBTGFBCBU-KBXCAEBGSA-N 0 3 360.462 2.319 20 30 FEEDHN CCN1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000158217987 545836728 /nfs/dbraw/zinc/83/67/28/545836728.db2.gz YJIDAKGKJNKAIE-UHFFFAOYSA-N 0 3 367.415 2.201 20 30 FEEDHN C=CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000478027858 561158527 /nfs/dbraw/zinc/15/85/27/561158527.db2.gz MPNKWTAIGFDPAP-AWEZNQCLSA-N 0 3 368.401 2.016 20 30 FEEDHN C[C@H]1C[C@@H](N(C)S(=O)(=O)N(C)CCC#N)CCN1Cc1ccccc1 ZINC000160003760 545999565 /nfs/dbraw/zinc/99/95/65/545999565.db2.gz SAVRIAWBNAVQCG-WMZOPIPTSA-N 0 3 364.515 2.062 20 30 FEEDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000160212133 546018250 /nfs/dbraw/zinc/01/82/50/546018250.db2.gz OKYVSTYGTDFVPG-CQSZACIVSA-N 0 3 353.463 2.381 20 30 FEEDHN CCOC(=O)CC[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000161913033 546134856 /nfs/dbraw/zinc/13/48/56/546134856.db2.gz XKDRBOOFQADAJP-MSOLQXFVSA-N 0 3 360.454 2.353 20 30 FEEDHN CN(C)Cc1cccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)c1 ZINC000163744612 546147012 /nfs/dbraw/zinc/14/70/12/546147012.db2.gz WZQQZGBUEIOSIU-UHFFFAOYSA-N 0 3 365.437 2.024 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C2OCCO2)CC1)C(C)C ZINC000170681846 546170374 /nfs/dbraw/zinc/17/03/74/546170374.db2.gz UKPLFJXXHPNKLE-GOSISDBHSA-N 0 3 365.518 2.480 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)CC1 ZINC000171715227 546220971 /nfs/dbraw/zinc/22/09/71/546220971.db2.gz OLJGILWINREORW-QGZVFWFLSA-N 0 3 365.424 2.299 20 30 FEEDHN CN(C)CCOc1ccccc1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000173335883 546278001 /nfs/dbraw/zinc/27/80/01/546278001.db2.gz QKXDNCNKVMZMMG-UHFFFAOYSA-N 0 3 356.430 2.059 20 30 FEEDHN CN(CCCNC(=O)C(=O)Nc1ccc(F)cc1C#N)Cc1ccccc1 ZINC000175943644 546376793 /nfs/dbraw/zinc/37/67/93/546376793.db2.gz WJRRKNRNWRPGQZ-UHFFFAOYSA-N 0 3 368.412 2.274 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(C)CCCO2)cc1 ZINC000480966605 561221545 /nfs/dbraw/zinc/22/15/45/561221545.db2.gz CSGQNRJRICMKGI-MLGOLLRUSA-N 0 3 351.428 2.063 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)N(C)C)ccc2OCC)CC1 ZINC000178138694 546744953 /nfs/dbraw/zinc/74/49/53/546744953.db2.gz DUTBUINJCSSFEL-UHFFFAOYSA-N 0 3 357.454 2.071 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000178919175 546873034 /nfs/dbraw/zinc/87/30/34/546873034.db2.gz AHMXIKBTYASJLV-UXHICEINSA-N 0 3 373.497 2.171 20 30 FEEDHN N#CCCn1cc(CN2CCC[C@H](OCCO)C2)c(-c2ccccc2)n1 ZINC000179571245 546979322 /nfs/dbraw/zinc/97/93/22/546979322.db2.gz MJCCAYVWIAQREY-IBGZPJMESA-N 0 3 354.454 2.437 20 30 FEEDHN CN1CCN([C@@H]2CCCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000179629849 546988965 /nfs/dbraw/zinc/98/89/65/546988965.db2.gz CSHJMEYVCFZDAZ-SQUSKLHYSA-N 0 3 352.482 2.200 20 30 FEEDHN C#CCCOc1ccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000179893142 547026136 /nfs/dbraw/zinc/02/61/36/547026136.db2.gz SQWPNDGBKAZUGP-IBGZPJMESA-N 0 3 356.466 2.160 20 30 FEEDHN Cn1cc(CN2CC[C@H](CN3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180200660 547066702 /nfs/dbraw/zinc/06/67/02/547066702.db2.gz HUFARIWXRRQARN-GOSISDBHSA-N 0 3 365.481 2.113 20 30 FEEDHN COCCOC[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215713 547068940 /nfs/dbraw/zinc/06/89/40/547068940.db2.gz LTGBRVFKBVWDTH-KRWDZBQOSA-N 0 3 354.454 2.444 20 30 FEEDHN N#Cc1ccc(CNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 ZINC000181567455 547337489 /nfs/dbraw/zinc/33/74/89/547337489.db2.gz HBGYRVOCLHFVSF-FQEVSTJZSA-N 0 3 364.449 2.124 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCCOC2)cc1 ZINC000483614952 561280681 /nfs/dbraw/zinc/28/06/81/561280681.db2.gz BIVMGOZZRDREGW-OCCSQVGLSA-N 0 3 351.428 2.015 20 30 FEEDHN NC(=O)C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000181969076 547415822 /nfs/dbraw/zinc/41/58/22/547415822.db2.gz YGFQKRFMUXKVKK-INIZCTEOSA-N 0 3 370.371 2.197 20 30 FEEDHN CN1CCC(NC(=O)Nc2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2)CC1 ZINC000182059788 547430635 /nfs/dbraw/zinc/43/06/35/547430635.db2.gz NTQDLKURJWYKKE-UHFFFAOYSA-N 0 3 366.425 2.354 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1sc(C)nc1C(F)(F)F ZINC000183709579 547705290 /nfs/dbraw/zinc/70/52/90/547705290.db2.gz AIRFWJOYVJLFPV-ZETCQYMHSA-N 0 3 356.391 2.076 20 30 FEEDHN CCO[C@@H]1COCC[C@@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000484636141 561301743 /nfs/dbraw/zinc/30/17/43/561301743.db2.gz BQKYKUSAKIESQI-PKOBYXMFSA-N 0 3 359.470 2.334 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000184340959 547810504 /nfs/dbraw/zinc/81/05/04/547810504.db2.gz BHNSHVJKTGFNKD-HNNXBMFYSA-N 0 3 359.474 2.125 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(CN(C)C)cc1 ZINC000185409224 547980874 /nfs/dbraw/zinc/98/08/74/547980874.db2.gz YZMLMVUBYYJNRJ-UHFFFAOYSA-N 0 3 359.451 2.107 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000186128490 548088952 /nfs/dbraw/zinc/08/89/52/548088952.db2.gz WGSHBGIWGCVFKW-IBGZPJMESA-N 0 3 358.530 2.453 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188569578 548282450 /nfs/dbraw/zinc/28/24/50/548282450.db2.gz SCZSEMGMZYCPDL-CZUORRHYSA-N 0 3 363.424 2.420 20 30 FEEDHN C=CCCOCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190620539 548329839 /nfs/dbraw/zinc/32/98/39/548329839.db2.gz JIRAKLRDQDYHKS-IBGZPJMESA-N 0 3 361.486 2.169 20 30 FEEDHN N#CC1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000190734204 548334390 /nfs/dbraw/zinc/33/43/90/548334390.db2.gz SFTBTRWZUJHAFK-IBGZPJMESA-N 0 3 356.470 2.223 20 30 FEEDHN C=C(C)CNC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000192151523 548359741 /nfs/dbraw/zinc/35/97/41/548359741.db2.gz XPSBJXNCMPVOJX-UHFFFAOYSA-N 0 3 358.486 2.156 20 30 FEEDHN COc1cc(CNC(=O)Cc2ccc(C#N)cc2)ccc1OCCN(C)C ZINC000194859022 548541321 /nfs/dbraw/zinc/54/13/21/548541321.db2.gz IOTNMKZPMCRWGM-UHFFFAOYSA-N 0 3 367.449 2.366 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245385923 548903208 /nfs/dbraw/zinc/90/32/08/548903208.db2.gz IKWAVUVSUXXHMP-CEXWTWQISA-N 0 3 363.546 2.397 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000246094927 549051722 /nfs/dbraw/zinc/05/17/22/549051722.db2.gz HNMPWKLKPLYMCA-MJBXVCDLSA-N 0 3 360.433 2.118 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)N1CCC[C@@H](C)C1 ZINC000246284459 549096035 /nfs/dbraw/zinc/09/60/35/549096035.db2.gz UCHXRLDOWJZISS-CHWSQXEVSA-N 0 3 362.861 2.387 20 30 FEEDHN CCO[C@@H]1C[C@@](CO)(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000248757434 549496759 /nfs/dbraw/zinc/49/67/59/549496759.db2.gz PXCANAUQYJCAET-UEXGIBASSA-N 0 3 371.481 2.209 20 30 FEEDHN CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@@H](C)C1 ZINC000253544301 549692565 /nfs/dbraw/zinc/69/25/65/549692565.db2.gz NHHWBZREDYLGBA-UGSOOPFHSA-N 0 3 358.486 2.397 20 30 FEEDHN CC[N@H+]1CC[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@@H](C)C1 ZINC000253544301 549692568 /nfs/dbraw/zinc/69/25/68/549692568.db2.gz NHHWBZREDYLGBA-UGSOOPFHSA-N 0 3 358.486 2.397 20 30 FEEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2ccc([O-])c(F)c2)=[NH+]C)C1 ZINC000261823617 549759679 /nfs/dbraw/zinc/75/96/79/549759679.db2.gz USDKDONVRMMVNC-ICBMNTSNSA-N 0 3 355.479 2.276 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000264367304 549994533 /nfs/dbraw/zinc/99/45/33/549994533.db2.gz QDWXSYONLHBZEG-UHFFFAOYSA-N 0 3 367.497 2.036 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000264453435 549996665 /nfs/dbraw/zinc/99/66/65/549996665.db2.gz CZZRVPUQRKAHTK-UHFFFAOYSA-N 0 3 354.410 2.241 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264510757 549997292 /nfs/dbraw/zinc/99/72/92/549997292.db2.gz SYYVOBCFVZAAFG-QGZVFWFLSA-N 0 3 357.454 2.277 20 30 FEEDHN CCN(CC)Cc1cccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c1 ZINC000265011484 550004908 /nfs/dbraw/zinc/00/49/08/550004908.db2.gz GVGHHCIKIHEJNW-VXPUYCOJSA-N 0 3 370.453 2.383 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CCc2nnc(C)n2C1)C(C)C ZINC000265460913 550009889 /nfs/dbraw/zinc/00/98/89/550009889.db2.gz VSMQIXNJFAYIKZ-MSOLQXFVSA-N 0 3 374.533 2.147 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3nc(C)sc3c2)CC1 ZINC000266674099 550023019 /nfs/dbraw/zinc/02/30/19/550023019.db2.gz JMTWNGDMNDGKGN-UHFFFAOYSA-N 0 3 358.467 2.310 20 30 FEEDHN C[C@H](NC(=O)CON=C(N)c1ccc(CN(C)C)cc1)c1ccccc1 ZINC000266991177 550026642 /nfs/dbraw/zinc/02/66/42/550026642.db2.gz BAOUXUCRQVBCQV-HNNXBMFYSA-N 0 3 354.454 2.263 20 30 FEEDHN CN(C)Cc1ccc(C(N)=NOCC(=O)N(C)Cc2ccccc2F)cc1 ZINC000266994955 550026703 /nfs/dbraw/zinc/02/67/03/550026703.db2.gz DHRFWBDFSVTNBO-UHFFFAOYSA-N 0 3 372.444 2.183 20 30 FEEDHN N#CCc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000270862208 550314645 /nfs/dbraw/zinc/31/46/45/550314645.db2.gz NEAOGIQLCXOUPE-RTWAWAEBSA-N 0 3 363.461 2.365 20 30 FEEDHN CN1CC=C(CNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000271895335 550409164 /nfs/dbraw/zinc/40/91/64/550409164.db2.gz NTVRCTSRRUGNNM-UHFFFAOYSA-N 0 3 358.467 2.009 20 30 FEEDHN CCOC(=O)N1CCC(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272228976 550430491 /nfs/dbraw/zinc/43/04/91/550430491.db2.gz QXPJYUYGLVGGLR-GOSISDBHSA-N 0 3 370.453 2.264 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272567944 550458025 /nfs/dbraw/zinc/45/80/25/550458025.db2.gz VAHVYWVYYAPCCB-IRXDYDNUSA-N 0 3 357.454 2.278 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000273018036 550480710 /nfs/dbraw/zinc/48/07/10/550480710.db2.gz SXESXEPPXWPZES-MRXNPFEDSA-N 0 3 356.470 2.367 20 30 FEEDHN N#Cc1ccccc1CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274302811 550531750 /nfs/dbraw/zinc/53/17/50/550531750.db2.gz FXFPRKOVDIYXTF-NRFANRHFSA-N 0 3 360.417 2.255 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)CC1 ZINC000277120467 550634270 /nfs/dbraw/zinc/63/42/70/550634270.db2.gz HTDZJCPJEYHFOW-GOSISDBHSA-N 0 3 352.438 2.123 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cccnc1C#N ZINC000277189900 550641573 /nfs/dbraw/zinc/64/15/73/550641573.db2.gz OMFYDPVRJGKJOE-NVXWUHKLSA-N 0 3 370.478 2.142 20 30 FEEDHN C=CC[C@H]1N(CC(=O)NCc2ccc(OCC(N)=O)cc2)CCCC1(C)C ZINC000277702490 550703853 /nfs/dbraw/zinc/70/38/53/550703853.db2.gz HVZTXWMIRKOSEJ-GOSISDBHSA-N 0 3 373.497 2.234 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277967958 550734050 /nfs/dbraw/zinc/73/40/50/550734050.db2.gz PXKAVIFLRXCAOS-MRXNPFEDSA-N 0 3 356.470 2.341 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277967958 550734051 /nfs/dbraw/zinc/73/40/51/550734051.db2.gz PXKAVIFLRXCAOS-MRXNPFEDSA-N 0 3 356.470 2.341 20 30 FEEDHN C=CCOc1ccc(C(=O)NCCCN2CCCO[C@H](C)C2)cc1OC ZINC000278415727 550783240 /nfs/dbraw/zinc/78/32/40/550783240.db2.gz FSPMNDUBPLMMPM-MRXNPFEDSA-N 0 3 362.470 2.491 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278796063 550822817 /nfs/dbraw/zinc/82/28/17/550822817.db2.gz YQXBQIZPVGRDNN-INIZCTEOSA-N 0 3 357.454 2.416 20 30 FEEDHN CCCCNC(=O)[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279553763 550902464 /nfs/dbraw/zinc/90/24/64/550902464.db2.gz OFOXFGOWKIYYRK-RTBURBONSA-N 0 3 366.465 2.395 20 30 FEEDHN CCCCNC(=O)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279553761 550902584 /nfs/dbraw/zinc/90/25/84/550902584.db2.gz OFOXFGOWKIYYRK-OALUTQOASA-N 0 3 366.465 2.395 20 30 FEEDHN C[C@@H]1CN(C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000279769116 550926975 /nfs/dbraw/zinc/92/69/75/550926975.db2.gz SMEAKOPLVJXEKJ-GPMSIDNRSA-N 0 3 368.481 2.245 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@]12CCCO2 ZINC000280101984 550961163 /nfs/dbraw/zinc/96/11/63/550961163.db2.gz SRUNTIFTIYVWRJ-PNYFIKQUSA-N 0 3 353.422 2.083 20 30 FEEDHN C[S@@](=O)C1(CNCc2cn(CCC#N)nc2-c2ccncc2)CCC1 ZINC000280527402 551004033 /nfs/dbraw/zinc/00/40/33/551004033.db2.gz BQJVECWQNFPDSC-RUZDIDTESA-N 0 3 357.483 2.250 20 30 FEEDHN CN(C)C1(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)Cc2ccccc2C1 ZINC000280569523 551008603 /nfs/dbraw/zinc/00/86/03/551008603.db2.gz VMQOVGYWFYAIAE-NRFANRHFSA-N 0 3 372.472 2.456 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cnc(C(C)C)nc1)C(C)C ZINC000280837814 551037591 /nfs/dbraw/zinc/03/75/91/551037591.db2.gz WUKHJHNUDLYVNU-QGZVFWFLSA-N 0 3 373.501 2.353 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000281232035 551076119 /nfs/dbraw/zinc/07/61/19/551076119.db2.gz HVTBRDJAMACWNR-KRWDZBQOSA-N 0 3 353.422 2.346 20 30 FEEDHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281729841 551136259 /nfs/dbraw/zinc/13/62/59/551136259.db2.gz XGJQKYUPHGAJSE-LJQANCHMSA-N 0 3 368.481 2.057 20 30 FEEDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCCC1(C#N)CCOCC1 ZINC000282075248 551177058 /nfs/dbraw/zinc/17/70/58/551177058.db2.gz TYXGORMYXHLAIU-HNNXBMFYSA-N 0 3 365.499 2.427 20 30 FEEDHN C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000282166783 551189351 /nfs/dbraw/zinc/18/93/51/551189351.db2.gz DKCZWCSHEOGMSI-UHFFFAOYSA-N 0 3 355.490 2.319 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cnn(CCOC)c1)C(C)C ZINC000282843043 551276707 /nfs/dbraw/zinc/27/67/07/551276707.db2.gz NFAGMZYANHLYAH-GOSISDBHSA-N 0 3 363.506 2.027 20 30 FEEDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000283551274 551386237 /nfs/dbraw/zinc/38/62/37/551386237.db2.gz ODXVAYPDZIBBQK-NSHDSACASA-N 0 3 372.288 2.035 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000284025618 551470555 /nfs/dbraw/zinc/47/05/55/551470555.db2.gz RLWFWWJIOZIWCR-UHFFFAOYSA-N 0 3 373.472 2.130 20 30 FEEDHN C=CCOc1c(Br)cc(CN[C@@H](C)CC(N)=O)cc1OC ZINC000498353333 561523043 /nfs/dbraw/zinc/52/30/43/561523043.db2.gz LMLIEUQLTXNWET-JTQLQIEISA-N 0 3 357.248 2.376 20 30 FEEDHN C=CCOc1c(Br)cc(CN[C@H](C)CC(N)=O)cc1OC ZINC000498353334 561523129 /nfs/dbraw/zinc/52/31/29/561523129.db2.gz LMLIEUQLTXNWET-SNVBAGLBSA-N 0 3 357.248 2.376 20 30 FEEDHN CCN1CCN(c2ccc(NC(=O)Cc3noc(C)c3C#N)c(C)c2)CC1 ZINC000498551717 561528040 /nfs/dbraw/zinc/52/80/40/561528040.db2.gz APERPRNGALHBMV-UHFFFAOYSA-N 0 3 367.453 2.486 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000285430467 551755471 /nfs/dbraw/zinc/75/54/71/551755471.db2.gz WKHXFBDMYQONMH-KRWDZBQOSA-N 0 3 358.461 2.466 20 30 FEEDHN C=CCC[C@H](NC(=O)C(=O)NC1CCN(CCOC)CC1)c1ccccc1 ZINC000285591880 551779804 /nfs/dbraw/zinc/77/98/04/551779804.db2.gz SLJYHIRFNFKCOP-IBGZPJMESA-N 0 3 373.497 2.037 20 30 FEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286246625 551865307 /nfs/dbraw/zinc/86/53/07/551865307.db2.gz MJSQLLWQEJTFRL-QGPMSJSTSA-N 0 3 358.461 2.322 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000286614052 551906195 /nfs/dbraw/zinc/90/61/95/551906195.db2.gz LMCMXRNHFCGUOJ-KXBFYZLASA-N 0 3 355.482 2.193 20 30 FEEDHN CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)NCCCCC#N ZINC000286654509 551911011 /nfs/dbraw/zinc/91/10/11/551911011.db2.gz GPSSNXNBGMPTFX-UHFFFAOYSA-N 0 3 364.515 2.229 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H](C)Oc2ccccc2C)CC1 ZINC000286698548 551916182 /nfs/dbraw/zinc/91/61/82/551916182.db2.gz PURCAOOOFPHXIV-KRWDZBQOSA-N 0 3 373.497 2.035 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000286716062 551918053 /nfs/dbraw/zinc/91/80/53/551918053.db2.gz PHXRNAOXLCCGFX-IEBWSBKVSA-N 0 3 355.482 2.356 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](c3cccc(C)c3)C2)CC1 ZINC000286799569 551927343 /nfs/dbraw/zinc/92/73/43/551927343.db2.gz UWHOIOFQIKVROR-SFHVURJKSA-N 0 3 355.482 2.078 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000286836121 551931652 /nfs/dbraw/zinc/93/16/52/551931652.db2.gz XTKHRKORJRRJHT-UHFFFAOYSA-N 0 3 355.891 2.127 20 30 FEEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287253919 551981623 /nfs/dbraw/zinc/98/16/23/551981623.db2.gz JXJWDMOONIAIAR-UHFFFAOYSA-N 0 3 362.861 2.485 20 30 FEEDHN Cn1cc(CN2CC[C@H](C(=O)N3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000287414740 552001335 /nfs/dbraw/zinc/00/13/35/552001335.db2.gz ORRDGLHGCFEWRR-SFHVURJKSA-N 0 3 363.465 2.403 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287503145 552012553 /nfs/dbraw/zinc/01/25/53/552012553.db2.gz UPQDNANVOCIGPH-DDUZABMNSA-N 0 3 356.445 2.123 20 30 FEEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000287669972 552032343 /nfs/dbraw/zinc/03/23/43/552032343.db2.gz QCUIUBYWJNCQEN-CQSZACIVSA-N 0 3 366.487 2.176 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000287824083 552051604 /nfs/dbraw/zinc/05/16/04/552051604.db2.gz BTRPIRZFRMRKJU-IEBWSBKVSA-N 0 3 357.498 2.438 20 30 FEEDHN C=C(CNC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000288057363 552082852 /nfs/dbraw/zinc/08/28/52/552082852.db2.gz PQRZZVOFCLPVSO-UHFFFAOYSA-N 0 3 356.514 2.369 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@H](N4CCCC4)C[C@H]3C)CC2)o1 ZINC000288301699 552128965 /nfs/dbraw/zinc/12/89/65/552128965.db2.gz IAYSUFRMOIADGY-PBHICJAKSA-N 0 3 371.485 2.156 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288764753 552208227 /nfs/dbraw/zinc/20/82/27/552208227.db2.gz ONOUXHPTSUDDEC-NSHDSACASA-N 0 3 371.466 2.120 20 30 FEEDHN Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000290652657 552513198 /nfs/dbraw/zinc/51/31/98/552513198.db2.gz FBCWKLOBQRJYIT-UHFFFAOYSA-N 0 3 373.464 2.461 20 30 FEEDHN CN(CC1CCN(c2ccncc2)CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000501024728 561587899 /nfs/dbraw/zinc/58/78/99/561587899.db2.gz XDNXOJKZVGDUAQ-FQEVSTJZSA-N 0 3 363.465 2.328 20 30 FEEDHN C#Cc1ccccc1CC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000290804955 552541412 /nfs/dbraw/zinc/54/14/12/552541412.db2.gz KXNWAJMNVRTZMD-UHFFFAOYSA-N 0 3 362.473 2.484 20 30 FEEDHN C#Cc1ccccc1CC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000291519077 552633065 /nfs/dbraw/zinc/63/30/65/552633065.db2.gz UXJVBTOUPPLRHO-UHFFFAOYSA-N 0 3 353.510 2.227 20 30 FEEDHN C=CCCCS(=O)(=O)[N-]c1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000291835103 552666578 /nfs/dbraw/zinc/66/65/78/552666578.db2.gz GPMYRAWRNWNMHV-UHFFFAOYSA-N 0 3 352.504 2.320 20 30 FEEDHN CN1CC[C@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000292048362 552688226 /nfs/dbraw/zinc/68/82/26/552688226.db2.gz AQUJZVONZCZWPG-JXFKEZNVSA-N 0 3 356.445 2.078 20 30 FEEDHN C=CCOCCN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000292737911 552753832 /nfs/dbraw/zinc/75/38/32/552753832.db2.gz HAYWLKQERVJWEM-QGZVFWFLSA-N 0 3 352.500 2.188 20 30 FEEDHN C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)N1CCCC[C@H]1C ZINC000501533578 561599943 /nfs/dbraw/zinc/59/99/43/561599943.db2.gz RQQQPFMAUSHHBO-SJORKVTESA-N 0 3 370.501 2.048 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000293471769 552827171 /nfs/dbraw/zinc/82/71/71/552827171.db2.gz UXSVAHUTXPRZIP-UHFFFAOYSA-N 0 3 370.478 2.128 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000501728332 561604112 /nfs/dbraw/zinc/60/41/12/561604112.db2.gz GHAJAFVZUONMTH-PKOBYXMFSA-N 0 3 355.482 2.214 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294174925 552887987 /nfs/dbraw/zinc/88/79/87/552887987.db2.gz JQFUUVHJOMDLTR-UONOGXRCSA-N 0 3 353.463 2.237 20 30 FEEDHN C[C@@H]1CN(CC2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000295417336 553003470 /nfs/dbraw/zinc/00/34/70/553003470.db2.gz DRXHVEIPQQJAGJ-OKILXGFUSA-N 0 3 359.430 2.187 20 30 FEEDHN CC(C)(C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1)C(N)=O ZINC000295642938 553038586 /nfs/dbraw/zinc/03/85/86/553038586.db2.gz LMWUSPGCAUDHBM-ROUUACIJSA-N 0 3 366.465 2.381 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000296863011 553222115 /nfs/dbraw/zinc/22/21/15/553222115.db2.gz KQEAJIJUWKWDGJ-KRWDZBQOSA-N 0 3 373.888 2.417 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000296871105 553222943 /nfs/dbraw/zinc/22/29/43/553222943.db2.gz LDOKNVOQZYRRKH-UHFFFAOYSA-N 0 3 372.444 2.205 20 30 FEEDHN CN(C)CCOc1ccc(CCNc2ncc(C#N)cc2[N+](=O)[O-])cc1 ZINC000297212374 553264152 /nfs/dbraw/zinc/26/41/52/553264152.db2.gz SDEVULZLQQMHHG-UHFFFAOYSA-N 0 3 355.398 2.456 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ncc(CC(=O)OCC)s2)CC1 ZINC000297210778 553264250 /nfs/dbraw/zinc/26/42/50/553264250.db2.gz STULAPRHGFPZCG-UHFFFAOYSA-N 0 3 366.487 2.411 20 30 FEEDHN C[C@@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@H]1N(C)C ZINC000297274891 553272101 /nfs/dbraw/zinc/27/21/01/553272101.db2.gz GLFGKOFFPABKBJ-DGCLKSJQSA-N 0 3 362.499 2.264 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000297656911 553321275 /nfs/dbraw/zinc/32/12/75/553321275.db2.gz YRCQUYZJWWOBCA-UHFFFAOYSA-N 0 3 370.497 2.347 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(-c3ccccc3)on2)CC1 ZINC000298029009 553373421 /nfs/dbraw/zinc/37/34/21/553373421.db2.gz FFNVRGNJIIOEIP-UHFFFAOYSA-N 0 3 368.437 2.437 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503525928 561643780 /nfs/dbraw/zinc/64/37/80/561643780.db2.gz LOUMXGXFVLEQBV-OALUTQOASA-N 0 3 354.454 2.370 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)Sc1nncn1C)C(C)C ZINC000299145762 553521167 /nfs/dbraw/zinc/52/11/67/553521167.db2.gz PSOGAWBQCYMONN-CABCVRRESA-N 0 3 351.520 2.111 20 30 FEEDHN C#CCCN1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000299635332 553592672 /nfs/dbraw/zinc/59/26/72/553592672.db2.gz KEOYVQBKDBKMBC-UHFFFAOYSA-N 0 3 364.287 2.419 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CCN1C ZINC000328605500 553795165 /nfs/dbraw/zinc/79/51/65/553795165.db2.gz JPGYRMRXXGXAFX-BFYDXBDKSA-N 0 3 350.507 2.296 20 30 FEEDHN O=C(NCCN1CCC2(CCCCC2)CC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328663065 553804445 /nfs/dbraw/zinc/80/44/45/553804445.db2.gz AWUNVORTBLOVNT-CALCHBBNSA-N 0 3 351.491 2.046 20 30 FEEDHN COc1ccccc1C(=O)NCC(=O)N1CCCN(CC2CCC2)CC1 ZINC000328875138 553836996 /nfs/dbraw/zinc/83/69/96/553836996.db2.gz RXIVGAOIKQVKPM-UHFFFAOYSA-N 0 3 359.470 2.334 20 30 FEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CCc2n[nH]nc2C1 ZINC000329166180 553893355 /nfs/dbraw/zinc/89/33/55/553893355.db2.gz HYGKHNFEWMBKKN-AWEZNQCLSA-N 0 3 355.442 2.155 20 30 FEEDHN CN(CC1CCN(C)CC1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329167309 553894085 /nfs/dbraw/zinc/89/40/85/553894085.db2.gz IJJNMQDGUHRIOK-INIZCTEOSA-N 0 3 350.507 2.108 20 30 FEEDHN CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@@H](N3CCCCC3)C1)CC2 ZINC000329269404 553914479 /nfs/dbraw/zinc/91/44/79/553914479.db2.gz FDVJWQKKQNQJRY-HZPDHXFCSA-N 0 3 360.506 2.191 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc(Cn4ccnc4)cc3)[C@H]2C1 ZINC000329279621 553916244 /nfs/dbraw/zinc/91/62/44/553916244.db2.gz LTKDYSAFKHUAEH-MOPGFXCFSA-N 0 3 353.470 2.371 20 30 FEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000329294146 553918906 /nfs/dbraw/zinc/91/89/06/553918906.db2.gz RUWGQFKTAYUSBK-ZBFHGGJFSA-N 0 3 358.490 2.292 20 30 FEEDHN Cc1noc([C@@H]2CCCCN2C(=O)NC[C@@]2(N(C)C)CCSC2)n1 ZINC000329303814 553921984 /nfs/dbraw/zinc/92/19/84/553921984.db2.gz XQRGXVNSKRWTMS-BBRMVZONSA-N 0 3 353.492 2.256 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)[C@H]2C1 ZINC000329459245 553950803 /nfs/dbraw/zinc/95/08/03/553950803.db2.gz ROXSFRLKIWOYTL-PBHICJAKSA-N 0 3 368.437 2.199 20 30 FEEDHN Cc1ncc(CN2CCN(C(=O)N[C@@H](C)C3=CCN(C)CC3)CC2)s1 ZINC000329713981 553994166 /nfs/dbraw/zinc/99/41/66/553994166.db2.gz SHTYIPDVQMENDK-AWEZNQCLSA-N 0 3 363.531 2.134 20 30 FEEDHN CN(C)C[C@@H]1CN(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)CCO1 ZINC000329721910 553995379 /nfs/dbraw/zinc/99/53/79/553995379.db2.gz FDRRUFDERBVTQA-MJGOQNOKSA-N 0 3 373.497 2.257 20 30 FEEDHN CN(C)[C@@H]1CCC[C@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000329806085 554009003 /nfs/dbraw/zinc/00/90/03/554009003.db2.gz LCBKCVXBFXIDTC-JKSUJKDBSA-N 0 3 371.547 2.207 20 30 FEEDHN C[C@H](CNC(=O)N[C@@H]1CCc2c[nH]nc2C1)N1CCc2ccccc2C1 ZINC000329816250 554011725 /nfs/dbraw/zinc/01/17/25/554011725.db2.gz DWQVPLRBWGLYCO-RDTXWAMCSA-N 0 3 353.470 2.217 20 30 FEEDHN C[C@H](CNC([O-])=[NH+][C@@H]1CCc2c[nH]nc2C1)N1CCc2ccccc2C1 ZINC000329816250 554011729 /nfs/dbraw/zinc/01/17/29/554011729.db2.gz DWQVPLRBWGLYCO-RDTXWAMCSA-N 0 3 353.470 2.217 20 30 FEEDHN CC(C(=O)N[C@@H](C)c1ccc2c(c1)OCO2)S(=O)(=O)C1CCOCC1 ZINC000330037238 554053237 /nfs/dbraw/zinc/05/32/37/554053237.db2.gz DDKQNZWZFUBONU-RYUDHWBXSA-N 0 3 369.439 2.415 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330091440 554062569 /nfs/dbraw/zinc/06/25/69/554062569.db2.gz PXSFJNHEKQURIM-PBHICJAKSA-N 0 3 372.517 2.191 20 30 FEEDHN CC(C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1)S(=O)(=O)C1CCOCC1 ZINC000330159188 554075624 /nfs/dbraw/zinc/07/56/24/554075624.db2.gz QSRUHXTZBPFDAH-BMFZPTHFSA-N 0 3 369.487 2.306 20 30 FEEDHN O=C(N[C@H]1CCn2ccnc2C1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000330202101 554084588 /nfs/dbraw/zinc/08/45/88/554084588.db2.gz YWOSNDFVZKXTTK-AWEZNQCLSA-N 0 3 361.396 2.212 20 30 FEEDHN Cc1nc(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)sc1C ZINC000330273887 554097231 /nfs/dbraw/zinc/09/72/31/554097231.db2.gz ZWBGCXJOKHJENX-LBPRGKRZSA-N 0 3 352.504 2.359 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCOC1CCCCC1 ZINC000330270658 554097368 /nfs/dbraw/zinc/09/73/68/554097368.db2.gz UPATVZRVNPOGQO-INIZCTEOSA-N 0 3 353.507 2.435 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCCC1)N1CCC[C@@H]1CCO ZINC000330280711 554098348 /nfs/dbraw/zinc/09/83/48/554098348.db2.gz SVSCADJRIMUEDO-MRXNPFEDSA-N 0 3 355.548 2.499 20 30 FEEDHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1cc2n(n1)CCCO2 ZINC000330359642 554111699 /nfs/dbraw/zinc/11/16/99/554111699.db2.gz WGUPRKWPWGWXBD-UHFFFAOYSA-N 0 3 370.453 2.127 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)c2cncc(Br)c2)CC1 ZINC000330372675 554112624 /nfs/dbraw/zinc/11/26/24/554112624.db2.gz KLLOTJAGWXMTNK-CQSZACIVSA-N 0 3 356.264 2.242 20 30 FEEDHN CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000330402355 554116846 /nfs/dbraw/zinc/11/68/46/554116846.db2.gz LASBZYBACNBYGW-DRRXZNNHSA-N 0 3 353.507 2.323 20 30 FEEDHN COc1c(NC(=O)N2CC[C@@H](N(C)C)C2)cc(Cl)cc1C(=O)N(C)C ZINC000330578390 554140976 /nfs/dbraw/zinc/14/09/76/554140976.db2.gz RZCHRRGVXYIYKF-GFCCVEGCSA-N 0 3 368.865 2.232 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000330808198 554173962 /nfs/dbraw/zinc/17/39/62/554173962.db2.gz LZZKPTVTOQKCKX-DOTOQJQBSA-N 0 3 350.507 2.224 20 30 FEEDHN COC(=O)c1cc(NC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)ccc1C ZINC000330835403 554177324 /nfs/dbraw/zinc/17/73/24/554177324.db2.gz WSKDZJNHBFNZFN-CABCVRRESA-N 0 3 351.472 2.305 20 30 FEEDHN COc1ccc(NC(=O)NCC2(O)CCN(C)CC2)c(Br)c1 ZINC000330856025 554179494 /nfs/dbraw/zinc/17/94/94/554179494.db2.gz ICEJBBBBPIJGNV-UHFFFAOYSA-N 0 3 372.263 2.240 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@](O)(C(F)(F)F)C2)cc1 ZINC000330967481 554195287 /nfs/dbraw/zinc/19/52/87/554195287.db2.gz BMCGFNHDKHFTKL-GOEBONIOSA-N 0 3 351.328 2.156 20 30 FEEDHN CCC1(CC)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[S@@]1=O ZINC000330986940 554197151 /nfs/dbraw/zinc/19/71/51/554197151.db2.gz GHMIAKDUSDZDED-GKVSMKOHSA-N 0 3 357.479 2.390 20 30 FEEDHN C[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CCN1CC(C)(C)O ZINC000331284341 554241299 /nfs/dbraw/zinc/24/12/99/554241299.db2.gz FSMGBIRECZAPKW-ZDUSSCGKSA-N 0 3 353.413 2.437 20 30 FEEDHN C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000508810969 561773491 /nfs/dbraw/zinc/77/34/91/561773491.db2.gz FXQQOKADNWCBDH-IAGOWNOFSA-N 0 3 363.506 2.253 20 30 FEEDHN COc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1NC(C)=O ZINC000331304866 554244766 /nfs/dbraw/zinc/24/47/66/554244766.db2.gz YRJNMZQMVXTYCG-CXAGYDPISA-N 0 3 362.474 2.340 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000331469071 554269527 /nfs/dbraw/zinc/26/95/27/554269527.db2.gz OMYYRFFWJMCDQT-KBXCAEBGSA-N 0 3 354.458 2.165 20 30 FEEDHN Cc1ccccc1[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000332669016 554493920 /nfs/dbraw/zinc/49/39/20/554493920.db2.gz MPTHQFGRRFPGDP-CTNGQTDRSA-N 0 3 368.525 2.477 20 30 FEEDHN N#Cc1c(NC(=O)CCN2CCSC[C@@H]2CCO)sc2c1CCC2 ZINC000333440197 554613429 /nfs/dbraw/zinc/61/34/29/554613429.db2.gz LQBNDNCQSIZFFG-LBPRGKRZSA-N 0 3 365.524 2.237 20 30 FEEDHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(F)(C#N)CC1 ZINC000510936420 561851665 /nfs/dbraw/zinc/85/16/65/561851665.db2.gz PFUMOKLNCFJWML-SJLPKXTDSA-N 0 3 358.461 2.093 20 30 FEEDHN Cc1cc(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)on1 ZINC000511161699 561859825 /nfs/dbraw/zinc/85/98/25/561859825.db2.gz NXIYUPOZIYDQMR-UHFFFAOYSA-N 0 3 355.442 2.171 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000359991560 554857839 /nfs/dbraw/zinc/85/78/39/554857839.db2.gz DWXWACRMNBWOTK-CAOSSQGBSA-N 0 3 351.491 2.302 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511624330 561874993 /nfs/dbraw/zinc/87/49/93/561874993.db2.gz CEBXSLYLQBHBEV-NEPJUHHUSA-N 0 3 361.389 2.441 20 30 FEEDHN Cc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OCCN(C)C)c1 ZINC000362915860 554998997 /nfs/dbraw/zinc/99/89/97/554998997.db2.gz HWTFODQZJULGLV-KRWDZBQOSA-N 0 3 371.485 2.140 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363147208 555040478 /nfs/dbraw/zinc/04/04/78/555040478.db2.gz PNSKCTIEQIGORJ-INIZCTEOSA-N 0 3 356.470 2.295 20 30 FEEDHN C[C@@H]1CN(C2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)CCO1 ZINC000363271159 555068762 /nfs/dbraw/zinc/06/87/62/555068762.db2.gz JULZYCRWBLQPQX-GOSISDBHSA-N 0 3 370.497 2.118 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000363515025 555124973 /nfs/dbraw/zinc/12/49/73/555124973.db2.gz AUBMMUYRRYMPQB-IEBWSBKVSA-N 0 3 357.454 2.087 20 30 FEEDHN C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1=CCN(C)CC1 ZINC000363717302 555170541 /nfs/dbraw/zinc/17/05/41/555170541.db2.gz RXEFPNLTGMBAQH-ZDUSSCGKSA-N 0 3 368.416 2.655 20 30 FEEDHN CN(C)Cc1cccc(C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)c1 ZINC000364188091 555265859 /nfs/dbraw/zinc/26/58/59/555265859.db2.gz KOPJFVQOELEBRT-UHFFFAOYSA-N 0 3 363.465 2.732 20 30 FEEDHN C#CCCN1CCC(NC(=O)C2CCN(c3nc(C)cs3)CC2)CC1 ZINC000364256289 555279601 /nfs/dbraw/zinc/27/96/01/555279601.db2.gz MOWQNRZENUUGDZ-UHFFFAOYSA-N 0 3 360.527 2.272 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000364429232 555312194 /nfs/dbraw/zinc/31/21/94/555312194.db2.gz XJJCCRSOVHQYAE-OXQOHEQNSA-N 0 3 367.497 2.263 20 30 FEEDHN N#Cc1ccccc1OCC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000364483963 555321877 /nfs/dbraw/zinc/32/18/77/555321877.db2.gz QILMNDFZGCAXAP-UHFFFAOYSA-N 0 3 364.449 2.155 20 30 FEEDHN N#Cc1ccc(CN2CC[C@H](NCc3ccc(-n4cncn4)cc3)C2=O)cc1 ZINC000364599806 555349614 /nfs/dbraw/zinc/34/96/14/555349614.db2.gz FTWLILNSUFWKTJ-FQEVSTJZSA-N 0 3 372.432 2.030 20 30 FEEDHN C=CCNC(=O)c1ccc(NC[C@H]2CCCN(Cc3cccnc3)C2)nc1 ZINC000364903893 555432078 /nfs/dbraw/zinc/43/20/78/555432078.db2.gz ZFRDTKVLMQNFLZ-GOSISDBHSA-N 0 3 365.481 2.717 20 30 FEEDHN C=CCc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000366190373 555776235 /nfs/dbraw/zinc/77/62/35/555776235.db2.gz CNRRRKFKPFZNRG-GOSISDBHSA-N 0 3 374.481 2.415 20 30 FEEDHN Cc1nccn1-c1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000366308641 555808402 /nfs/dbraw/zinc/80/84/02/555808402.db2.gz BKGMEDKEUVMZEZ-IBGZPJMESA-N 0 3 370.416 2.446 20 30 FEEDHN N#CC(CCN1CC[C@H]2C(=O)NC(=O)[C@H]2C1)(c1ccccc1)c1ccccc1 ZINC000366335696 555814917 /nfs/dbraw/zinc/81/49/17/555814917.db2.gz VEDLIMCRIONORT-UXHICEINSA-N 0 3 373.456 2.481 20 30 FEEDHN C[C@@]1(CNC(=O)N=c2ccn(CCC#N)[nH]2)CCN(Cc2ccccc2)C1 ZINC000366878949 555958456 /nfs/dbraw/zinc/95/84/56/555958456.db2.gz GCGVMPOGTFIRID-FQEVSTJZSA-N 0 3 366.469 2.830 20 30 FEEDHN N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@H](N4CCCC4)C3)C2)c(F)c1 ZINC000367651468 556105090 /nfs/dbraw/zinc/10/50/90/556105090.db2.gz SCEZGQRXHKVJIW-SJORKVTESA-N 0 3 356.445 2.220 20 30 FEEDHN COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000367711500 556120775 /nfs/dbraw/zinc/12/07/75/556120775.db2.gz CWAYETRYFVKAFU-KRWDZBQOSA-N 0 3 357.435 2.474 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)NCC1(C#N)CC1 ZINC000515612175 562016925 /nfs/dbraw/zinc/01/69/25/562016925.db2.gz OYSAGHVSILLDQV-QZTJIDSGSA-N 0 3 356.470 2.126 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000368942913 556454825 /nfs/dbraw/zinc/45/48/25/556454825.db2.gz REQMADIPAKCZFS-MRXNPFEDSA-N 0 3 370.501 2.096 20 30 FEEDHN C[C@H](CO)N1CCCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000368966903 556461675 /nfs/dbraw/zinc/46/16/75/556461675.db2.gz SLHGNTGLTSYRQQ-CYBMUJFWSA-N 0 3 352.276 2.209 20 30 FEEDHN Cc1nc(C)n(C[C@H]2CCCCN2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000369238863 556545816 /nfs/dbraw/zinc/54/58/16/556545816.db2.gz SPMLBZZCADYQRQ-RTBURBONSA-N 0 3 369.469 2.061 20 30 FEEDHN N#Cc1ccc2ncc(CNC3CCN(Cc4cscn4)CC3)n2c1 ZINC000369481238 556608892 /nfs/dbraw/zinc/60/88/92/556608892.db2.gz XZGSRGJQRUAJSL-UHFFFAOYSA-N 0 3 352.467 2.417 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000369591860 556641056 /nfs/dbraw/zinc/64/10/56/556641056.db2.gz NKDGERWUGMUDEP-HNNXBMFYSA-N 0 3 373.884 2.297 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1=O ZINC000369855754 556713742 /nfs/dbraw/zinc/71/37/42/556713742.db2.gz JDNDOYBWEKIBBG-OALUTQOASA-N 0 3 370.497 2.079 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@@H](C)N(C)C3CC3)C2)n1 ZINC000369938362 556735848 /nfs/dbraw/zinc/73/58/48/556735848.db2.gz UOERWBSKPGCXHK-NVXWUHKLSA-N 0 3 355.486 2.077 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC000370507463 556893805 /nfs/dbraw/zinc/89/38/05/556893805.db2.gz IETBTBNRYLYRER-TXPKVOOTSA-N 0 3 351.491 2.005 20 30 FEEDHN CN1CC[C@@H](NCC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000370730953 556952371 /nfs/dbraw/zinc/95/23/71/556952371.db2.gz RSAPHHQBFPSGGZ-TZIWHRDSSA-N 0 3 366.440 2.349 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000370884794 557001803 /nfs/dbraw/zinc/00/18/03/557001803.db2.gz CQRROQOZFNEEKF-WBVHZDCISA-N 0 3 373.501 2.090 20 30 FEEDHN CCc1nnc(NCc2ccncc2OCCN(C)C)c(C#N)c1CC ZINC000517197795 562078928 /nfs/dbraw/zinc/07/89/28/562078928.db2.gz ZLAGJDBNJCCTPU-UHFFFAOYSA-N 0 3 354.458 2.421 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H]2C2CC2)CC1 ZINC000371470296 557190748 /nfs/dbraw/zinc/19/07/48/557190748.db2.gz KNYAASKVMBPPIE-DLBZAZTESA-N 0 3 358.511 2.331 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000517957482 562101563 /nfs/dbraw/zinc/10/15/63/562101563.db2.gz QQXFCJUIUYZSFP-OKZBNKHCSA-N 0 3 370.497 2.499 20 30 FEEDHN C=CCN1CCC(NC(=O)CCN2C(=O)CSc3ccccc32)CC1 ZINC000518495971 562112826 /nfs/dbraw/zinc/11/28/26/562112826.db2.gz AWSWAYGSIDUMHI-UHFFFAOYSA-N 0 3 359.495 2.282 20 30 FEEDHN CN1CCN(CCC2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000372291829 557431492 /nfs/dbraw/zinc/43/14/92/557431492.db2.gz RNCMFKSGMDBKFM-UHFFFAOYSA-N 0 3 354.498 2.242 20 30 FEEDHN CC1(C)CCN(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1 ZINC000519422007 562131554 /nfs/dbraw/zinc/13/15/54/562131554.db2.gz IOCHNVZYGZZKRM-UHFFFAOYSA-N 0 3 354.498 2.393 20 30 FEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@]2(C1)CCCN(C)C2=O ZINC000372900041 557584567 /nfs/dbraw/zinc/58/45/67/557584567.db2.gz AWBUUSGSFHTRRK-VVMSIFSJSA-N 0 3 374.529 2.250 20 30 FEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@]2(C1)CCCN(C)C2=O ZINC000372900044 557584762 /nfs/dbraw/zinc/58/47/62/557584762.db2.gz AWBUUSGSFHTRRK-ZZWQXLNQSA-N 0 3 374.529 2.250 20 30 FEEDHN CN1C(=O)N[C@@]2(CCC[C@H]2CNCc2ccc(F)c(C#N)c2Cl)C1=O ZINC000372993770 557605787 /nfs/dbraw/zinc/60/57/87/557605787.db2.gz WGILZOKUOGEXHF-APPDUMDISA-N 0 3 364.808 2.161 20 30 FEEDHN COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1cccc(C)c1C#N ZINC000373181519 557645274 /nfs/dbraw/zinc/64/52/74/557645274.db2.gz UIYGYGBROUXHLD-INIZCTEOSA-N 0 3 357.435 2.474 20 30 FEEDHN C=CCN(C[C@@H](O)COC(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195994 562150317 /nfs/dbraw/zinc/15/03/17/562150317.db2.gz UBEDMFBUWOPHKA-MAUKXSAKSA-N 0 3 359.474 2.387 20 30 FEEDHN CN(CC(=O)N(CCC#N)CCC#N)C1CCN(c2ccccc2)CC1 ZINC000373920479 557787441 /nfs/dbraw/zinc/78/74/41/557787441.db2.gz JUPJQGVIBDREHF-UHFFFAOYSA-N 0 3 353.470 2.243 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000520686974 562161618 /nfs/dbraw/zinc/16/16/18/562161618.db2.gz QTWSSBPDNVJBOG-UHFFFAOYSA-N 0 3 369.425 2.376 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000374284531 557858115 /nfs/dbraw/zinc/85/81/15/557858115.db2.gz AFKOZQBQUHCSJI-IEBWSBKVSA-N 0 3 357.498 2.349 20 30 FEEDHN CCN1CCc2c(cccc2NC(=O)C(=O)NCC2CCC(C#N)CC2)C1 ZINC000374420219 557881418 /nfs/dbraw/zinc/88/14/18/557881418.db2.gz BANDYZWMKHHPRT-UHFFFAOYSA-N 0 3 368.481 2.449 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000374472706 557888483 /nfs/dbraw/zinc/88/84/83/557888483.db2.gz RBJZGYSAFGYOLH-OALUTQOASA-N 0 3 353.466 2.316 20 30 FEEDHN COc1cccc([C@@H]2[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000374766759 557928136 /nfs/dbraw/zinc/92/81/36/557928136.db2.gz MXQVTQQVNNWISN-RYGJVYDSSA-N 0 3 370.497 2.323 20 30 FEEDHN C[C@H](NCCCN1C(=O)CNC1=O)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374954904 557956104 /nfs/dbraw/zinc/95/61/04/557956104.db2.gz PKFVFEDKAZSHCM-LBPRGKRZSA-N 0 3 369.450 2.274 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375019461 557965208 /nfs/dbraw/zinc/96/52/08/557965208.db2.gz LDAKWYAREXARSC-SCTDSRPQSA-N 0 3 370.497 2.356 20 30 FEEDHN C=CCN1CCC(NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000521578103 562179222 /nfs/dbraw/zinc/17/92/22/562179222.db2.gz VEBCGXLOWWWVNW-UHFFFAOYSA-N 0 3 374.510 2.232 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375988729 558110606 /nfs/dbraw/zinc/11/06/06/558110606.db2.gz GOQDRKFYBFFTRL-IBGZPJMESA-N 0 3 364.449 2.212 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000376622251 558198863 /nfs/dbraw/zinc/19/88/63/558198863.db2.gz NUJPZOYGJYDRFF-HNNXBMFYSA-N 0 3 362.424 2.263 20 30 FEEDHN N#Cc1cccc(CNCCN2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000522213192 562194532 /nfs/dbraw/zinc/19/45/32/562194532.db2.gz DIQPSHSOJCZYTI-UHFFFAOYSA-N 0 3 354.498 2.372 20 30 FEEDHN CN(CC1CCN(c2ccncc2)CC1)S(=O)(=O)CCC(C)(C)C#N ZINC000377834427 558431556 /nfs/dbraw/zinc/43/15/56/558431556.db2.gz LMAREWOMRNUSNO-UHFFFAOYSA-N 0 3 364.515 2.499 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000523581075 562215477 /nfs/dbraw/zinc/21/54/77/562215477.db2.gz ICYHDZVCWXTJCZ-HXUWFJFHSA-N 0 3 369.513 2.260 20 30 FEEDHN CCc1nc(C#N)cc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)n1 ZINC000404181505 558631479 /nfs/dbraw/zinc/63/14/79/558631479.db2.gz JKULFTSNIDOYRU-MOPGFXCFSA-N 0 3 363.465 2.390 20 30 FEEDHN N#Cc1ccccc1-c1ccc(CN2CCC(S(N)(=O)=O)CC2)cc1 ZINC000411426645 558893076 /nfs/dbraw/zinc/89/30/76/558893076.db2.gz SKPRAROYSUQBEL-UHFFFAOYSA-N 0 3 355.463 2.478 20 30 FEEDHN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000411494253 558904883 /nfs/dbraw/zinc/90/48/83/558904883.db2.gz SMQQRZOTCLSWEY-CYBMUJFWSA-N 0 3 351.422 2.176 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000411639798 558934147 /nfs/dbraw/zinc/93/41/47/558934147.db2.gz JHENTJFDKHDWOM-UHFFFAOYSA-N 0 3 358.486 2.192 20 30 FEEDHN CNC(=O)C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411684645 558943674 /nfs/dbraw/zinc/94/36/74/558943674.db2.gz UIGZUITVCZUBKD-SFHVURJKSA-N 0 3 350.422 2.354 20 30 FEEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411787686 558963193 /nfs/dbraw/zinc/96/31/93/558963193.db2.gz LISCPGWYHMNDAE-FGTMMUONSA-N 0 3 355.438 2.375 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000412672401 559049924 /nfs/dbraw/zinc/04/99/24/559049924.db2.gz LJOMAYFGUCTNDE-IEBWSBKVSA-N 0 3 352.438 2.153 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000413836890 559133960 /nfs/dbraw/zinc/13/39/60/559133960.db2.gz PYPRYAGMRMZXSS-ICSRJNTNSA-N 0 3 358.530 2.499 20 30 FEEDHN N#Cc1cc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)ccc1F ZINC000413974575 559144522 /nfs/dbraw/zinc/14/45/22/559144522.db2.gz FPQOVKZFVMYEPK-UHFFFAOYSA-N 0 3 367.424 2.454 20 30 FEEDHN CN(C)c1ncc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1C ZINC000414332750 559156881 /nfs/dbraw/zinc/15/68/81/559156881.db2.gz ACUPCILXHRRVKX-HNNXBMFYSA-N 0 3 356.449 2.255 20 30 FEEDHN C=CCOc1ccc(CN2CCC[C@@H](n3cc(CN)nn3)C2)cc1OC ZINC000415119256 559206184 /nfs/dbraw/zinc/20/61/84/559206184.db2.gz FEQKVCFOYRFXQS-QGZVFWFLSA-N 0 3 357.458 2.147 20 30 FEEDHN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1 ZINC000415311653 559223056 /nfs/dbraw/zinc/22/30/56/559223056.db2.gz BJEBUQBTBRDFBU-UHFFFAOYSA-N 0 3 364.405 2.111 20 30 FEEDHN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)CN1 ZINC000417583887 559367969 /nfs/dbraw/zinc/36/79/69/559367969.db2.gz WZLHWUXACUPGGH-IJEWVQPXSA-N 0 3 359.449 2.058 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N=c2cc(C)n(CC(F)(F)F)[nH]2)CC1 ZINC000417656185 559370785 /nfs/dbraw/zinc/37/07/85/559370785.db2.gz CXUWJRVIUGMXQI-UHFFFAOYSA-N 0 3 359.396 2.916 20 30 FEEDHN C[C@@H]1CN(CCO)[C@H](C)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000419327460 559437410 /nfs/dbraw/zinc/43/74/10/559437410.db2.gz CZZJJRGNCIKBAD-HUUCEWRRSA-N 0 3 356.388 2.324 20 30 FEEDHN CC[C@@](CN[C@@H](C)C(=O)NC1(C#N)CCC1)(C(=O)OC)c1ccccc1 ZINC000419365872 559439703 /nfs/dbraw/zinc/43/97/03/559439703.db2.gz YNOBBHGGZVHIKV-YWZLYKJASA-N 0 3 357.454 2.048 20 30 FEEDHN C=C(C)[C@@H](NC(=O)C(=O)N[C@H](CN)CCCC)c1ccc(F)c(F)c1 ZINC000419678573 559453432 /nfs/dbraw/zinc/45/34/32/559453432.db2.gz OJHYETHXTADHHA-XJKSGUPXSA-N 0 3 353.413 2.332 20 30 FEEDHN CC(C)(CC#N)CNCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419777162 559459507 /nfs/dbraw/zinc/45/95/07/559459507.db2.gz LOHWZINDEAWFOK-UHFFFAOYSA-N 0 3 360.277 2.126 20 30 FEEDHN C=CCC[C@@H]1NC(=O)N(Cc2ccccc2CN2CCN(CC)CC2)C1=O ZINC000419921759 559464667 /nfs/dbraw/zinc/46/46/67/559464667.db2.gz IPSKAFCNJMHTCD-IBGZPJMESA-N 0 3 370.497 2.211 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419964637 559466728 /nfs/dbraw/zinc/46/67/28/559466728.db2.gz IZHFJPSBGIRVLG-IBGZPJMESA-N 0 3 370.497 2.321 20 30 FEEDHN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@H](N)CCCC#N)cc21 ZINC000424104700 559654911 /nfs/dbraw/zinc/65/49/11/559654911.db2.gz TYMUKTLMRRYZCH-CQSZACIVSA-N 0 3 358.442 2.418 20 30 FEEDHN COC(=O)c1cccc(Cc2cnc(NC(=O)[C@H](N)CCCC#N)s2)c1 ZINC000424113937 559655172 /nfs/dbraw/zinc/65/51/72/559655172.db2.gz PDMJNGIMONDXET-OAHLLOKOSA-N 0 3 372.450 2.480 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000424145738 559656167 /nfs/dbraw/zinc/65/61/67/559656167.db2.gz OJYLEVWQYRLHJS-QGZVFWFLSA-N 0 3 363.421 2.244 20 30 FEEDHN C=CCCn1cc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)nn1 ZINC000424613150 559671208 /nfs/dbraw/zinc/67/12/08/559671208.db2.gz GNYOTKVOHBWRIA-UHFFFAOYSA-N 0 3 363.412 2.336 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)nn1 ZINC000425395960 559700117 /nfs/dbraw/zinc/70/01/17/559700117.db2.gz OPJFKUFUXIDKHI-LJQANCHMSA-N 0 3 368.485 2.100 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000437499544 559965232 /nfs/dbraw/zinc/96/52/32/559965232.db2.gz VLLRQBFLXRSYIC-RXVVDRJESA-N 0 3 357.498 2.296 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000439429420 559993745 /nfs/dbraw/zinc/99/37/45/559993745.db2.gz FJXOMXYOWJBYOO-QGZVFWFLSA-N 0 3 356.470 2.432 20 30 FEEDHN N#Cc1ccc(CCC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000440518573 560013337 /nfs/dbraw/zinc/01/33/37/560013337.db2.gz JTKUVMDJXYXPDU-JOCHJYFZSA-N 0 3 363.461 2.244 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000527458742 562288795 /nfs/dbraw/zinc/28/87/95/562288795.db2.gz NCGKLOYHVMLRCS-HZPDHXFCSA-N 0 3 365.355 2.402 20 30 FEEDHN CN(C)CCO[C@@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000443494848 560085474 /nfs/dbraw/zinc/08/54/74/560085474.db2.gz DNONPDRDKIGTJE-OAHLLOKOSA-N 0 3 355.398 2.172 20 30 FEEDHN CCN1CCN(C[C@H](C)CNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443515080 560086007 /nfs/dbraw/zinc/08/60/07/560086007.db2.gz BBIYJBDOWPTVLG-CYBMUJFWSA-N 0 3 355.408 2.658 20 30 FEEDHN CN1C2(CCC2)COC[C@]1(CO)CNCc1cccc(OCCCC#N)c1 ZINC000527755003 562302627 /nfs/dbraw/zinc/30/26/27/562302627.db2.gz QXJKLODVALHLEY-OAQYLSRUSA-N 0 3 373.497 2.075 20 30 FEEDHN CN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CCN(C)CC1 ZINC000448558533 560190218 /nfs/dbraw/zinc/19/02/18/560190218.db2.gz OOIVTXJYDOVXQH-AWEZNQCLSA-N 0 3 374.872 2.117 20 30 FEEDHN Cc1[nH]c(C#N)cc1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000448676869 560193570 /nfs/dbraw/zinc/19/35/70/560193570.db2.gz JZGDTPPKTJEZBN-HXUWFJFHSA-N 0 3 365.481 2.303 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449172747 560218931 /nfs/dbraw/zinc/21/89/31/560218931.db2.gz DDGGNIWFFSWJDT-ZDUSSCGKSA-N 0 3 366.259 2.300 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000449897404 560244587 /nfs/dbraw/zinc/24/45/87/560244587.db2.gz BGSMONWQSYDFPR-MOPGFXCFSA-N 0 3 362.445 2.376 20 30 FEEDHN CN(C)CCN(C(=O)COc1cccc(Br)c1C#N)C1CC1 ZINC000450717678 560271287 /nfs/dbraw/zinc/27/12/87/560271287.db2.gz QTGBRWIZDKJEKP-UHFFFAOYSA-N 0 3 366.259 2.252 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCCC[C@@H]1C ZINC000451046867 560284541 /nfs/dbraw/zinc/28/45/41/560284541.db2.gz AFJSHYWHXVGVJZ-KBPBESRZSA-N 0 3 353.463 2.380 20 30 FEEDHN C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN(Cc2ccccc2)C1 ZINC000451706070 560323398 /nfs/dbraw/zinc/32/33/98/560323398.db2.gz JRKFHOLUSKXZNO-LAUBAEHRSA-N 0 3 354.498 2.249 20 30 FEEDHN CCO[C@@H]1COC[C@H]1NCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000451944276 560339765 /nfs/dbraw/zinc/33/97/65/560339765.db2.gz NTZBUSHFQARFIQ-HUUCEWRRSA-N 0 3 363.483 2.221 20 30 FEEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCCN2CCCO)c1C#N ZINC000452779227 560373786 /nfs/dbraw/zinc/37/37/86/560373786.db2.gz FROCCNZROXJQRK-CQSZACIVSA-N 0 3 374.510 2.129 20 30 FEEDHN COCCOC1(CNC(=O)C(C#N)CCc2ccccc2)CCOCC1 ZINC000452814337 560375186 /nfs/dbraw/zinc/37/51/86/560375186.db2.gz LCUNEIKJNGHSMP-SFHVURJKSA-N 0 3 360.454 2.087 20 30 FEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453627959 560391913 /nfs/dbraw/zinc/39/19/13/560391913.db2.gz WLSXYTFDJPCMJH-AWEZNQCLSA-N 0 3 364.877 2.437 20 30 FEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453709969 560398509 /nfs/dbraw/zinc/39/85/09/560398509.db2.gz MTCGAFIUDKWLOH-AWEZNQCLSA-N 0 3 362.861 2.145 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756148 560401908 /nfs/dbraw/zinc/40/19/08/560401908.db2.gz PUQWSYXWYMQFRH-GUYCJALGSA-N 0 3 374.872 2.430 20 30 FEEDHN CN1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)C2)C1 ZINC000453772721 560403367 /nfs/dbraw/zinc/40/33/67/560403367.db2.gz QFRMWXSTTUFDAG-LJQANCHMSA-N 0 3 374.872 2.289 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455775514 560494465 /nfs/dbraw/zinc/49/44/65/560494465.db2.gz DRBXZHDAUPJPFJ-CYBMUJFWSA-N 0 3 364.881 2.002 20 30 FEEDHN COC1CCN(C2(CNC(=O)c3cc(C)c(C#N)cn3)CCCC2)CC1 ZINC000457544027 560573423 /nfs/dbraw/zinc/57/34/23/560573423.db2.gz CBWMDKSZNFEOQD-UHFFFAOYSA-N 0 3 356.470 2.415 20 30 FEEDHN N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000459006942 560661577 /nfs/dbraw/zinc/66/15/77/560661577.db2.gz JFCGQOYWKONRRN-LEAZDLGRSA-N 0 3 370.497 2.251 20 30 FEEDHN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000459007508 560661601 /nfs/dbraw/zinc/66/16/01/560661601.db2.gz JVVBYSUBYHMIBC-QRFRQXIXSA-N 0 3 356.470 2.005 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000459038706 560663101 /nfs/dbraw/zinc/66/31/01/560663101.db2.gz WKTHGXJDNXGDMP-HAGHYFMRSA-N 0 3 355.482 2.493 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000459036933 560663122 /nfs/dbraw/zinc/66/31/22/560663122.db2.gz DWHZZCNTVKNQLY-MOPGFXCFSA-N 0 3 356.470 2.365 20 30 FEEDHN CN(CCN1CCN(C(=O)NCC(C)(C)CC#N)CC1)Cc1ccccc1 ZINC000459260539 560676467 /nfs/dbraw/zinc/67/64/67/560676467.db2.gz QPTIUDVFGRTWNI-UHFFFAOYSA-N 0 3 371.529 2.385 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CNC2(CO)CCSCC2)c1C ZINC000459702952 560703179 /nfs/dbraw/zinc/70/31/79/560703179.db2.gz DNLFGWWMHLANLC-UHFFFAOYSA-N 0 3 361.511 2.398 20 30 FEEDHN C=CCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000459907103 560718632 /nfs/dbraw/zinc/71/86/32/560718632.db2.gz KOKQHYWEMGCPFE-OAQYLSRUSA-N 0 3 355.482 2.146 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O)C(C)C ZINC000466221444 560882186 /nfs/dbraw/zinc/88/21/86/560882186.db2.gz DWSWJHWRBLCQLG-KZNAEPCWSA-N 0 3 364.534 2.418 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3N(C)CCCC3(C)C)cc2C1=O ZINC000468472324 560930755 /nfs/dbraw/zinc/93/07/55/560930755.db2.gz JSNMFKAJHRHVEN-QGZVFWFLSA-N 0 3 369.465 2.319 20 30 FEEDHN Cc1ccnc(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)c1 ZINC000471052896 560997090 /nfs/dbraw/zinc/99/70/90/560997090.db2.gz KYBVEBKAUKVITO-LJQANCHMSA-N 0 3 359.433 2.293 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3ccccc3)C(=O)C2)cc1 ZINC000471133670 560999046 /nfs/dbraw/zinc/99/90/46/560999046.db2.gz PZGSYVVUHXQOFO-SFHVURJKSA-N 0 3 358.401 2.116 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000471855044 561013048 /nfs/dbraw/zinc/01/30/48/561013048.db2.gz DQEMUSOPJVBXHS-USXIJHARSA-N 0 3 359.470 2.360 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCCN(C(C)C)CC3)C2)n1 ZINC000471875884 561013500 /nfs/dbraw/zinc/01/35/00/561013500.db2.gz KAWAKYCCIMHORL-LJQANCHMSA-N 0 3 369.513 2.421 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000472425344 561026086 /nfs/dbraw/zinc/02/60/86/561026086.db2.gz MJWUKJXMBOBBJO-MJGOQNOKSA-N 0 3 372.428 2.442 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000528420965 562328397 /nfs/dbraw/zinc/32/83/97/562328397.db2.gz MWGNADUIHSNMOM-IRXDYDNUSA-N 0 3 352.434 2.035 20 30 FEEDHN CO[C@H]1C[C@@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528515460 562333345 /nfs/dbraw/zinc/33/33/45/562333345.db2.gz AAUDULZDNMXRNK-MSOLQXFVSA-N 0 3 352.434 2.175 20 30 FEEDHN COCCc1noc(CC2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000528618173 562338422 /nfs/dbraw/zinc/33/84/22/562338422.db2.gz HWWQUWQKUNABSK-SFHVURJKSA-N 0 3 370.453 2.118 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@](O)(c2ccccc2)C1 ZINC000528658520 562340633 /nfs/dbraw/zinc/34/06/33/562340633.db2.gz PQYKBMBJYVWPSK-PZJWPPBQSA-N 0 3 352.434 2.282 20 30 FEEDHN COc1cc(CNC(=O)Nc2ccc3c(c2)OCCNC3)ccc1C#N ZINC000528707509 562342999 /nfs/dbraw/zinc/34/29/99/562342999.db2.gz OMKARIGVMZGCFH-UHFFFAOYSA-N 0 3 352.394 2.371 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCN3C3CCCC3)CC2)o1 ZINC000530026774 562395033 /nfs/dbraw/zinc/39/50/33/562395033.db2.gz IXAKARTYBNXHMG-KRWDZBQOSA-N 0 3 371.485 2.204 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCN2C2CCCCC2)c1 ZINC000530236432 562403238 /nfs/dbraw/zinc/40/32/38/562403238.db2.gz OCGVLNUMELMZJK-SFHVURJKSA-N 0 3 361.511 2.329 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000532351067 562474945 /nfs/dbraw/zinc/47/49/45/562474945.db2.gz ADQHCJDKSGOSHJ-QGZVFWFLSA-N 0 3 371.485 2.199 20 30 FEEDHN N#Cc1cccc(NC(=O)C2CCN(CCOC[C@H]3CCCO3)CC2)c1 ZINC000533038263 562496329 /nfs/dbraw/zinc/49/63/29/562496329.db2.gz MXNIKKRZKQFVGP-LJQANCHMSA-N 0 3 357.454 2.404 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCOc2cccc(C(F)(F)F)n2)CC1 ZINC000534636498 562538868 /nfs/dbraw/zinc/53/88/68/562538868.db2.gz HJGYCZGFLBUXGT-UHFFFAOYSA-N 0 3 372.391 2.429 20 30 FEEDHN CC(C#N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC000535935807 562571144 /nfs/dbraw/zinc/57/11/44/562571144.db2.gz KBDKHPDVEXHZLZ-HNNXBMFYSA-N 0 3 363.483 2.024 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](CO)c2cccc(Cl)c2F)CC1 ZINC000540978639 562599319 /nfs/dbraw/zinc/59/93/19/562599319.db2.gz ZWXDANBGTYCLKN-OAHLLOKOSA-N 0 3 355.841 2.462 20 30 FEEDHN CCCNC(=O)c1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000550192862 562643898 /nfs/dbraw/zinc/64/38/98/562643898.db2.gz RKYIWIDOYVSLKC-IBGZPJMESA-N 0 3 367.449 2.228 20 30 FEEDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000556128229 674389238 /nfs/dbraw/zinc/38/92/38/674389238.db2.gz BRTGZQTUPBLYJJ-UHFFFAOYSA-N 0 3 362.499 2.410 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(CCc3ccncc3)CC2)cc1 ZINC000602199131 567950623 /nfs/dbraw/zinc/95/06/23/567950623.db2.gz NAKFKZGYCPFFSI-OAQYLSRUSA-N 0 3 373.460 2.022 20 30 FEEDHN N#CCCCCNC(=O)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000602244550 567959046 /nfs/dbraw/zinc/95/90/46/567959046.db2.gz HJKZHEXBTISGIH-IBGZPJMESA-N 0 3 370.497 2.357 20 30 FEEDHN CN(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602583907 567994146 /nfs/dbraw/zinc/99/41/46/567994146.db2.gz VLVVMYMWWCAFAK-LSDHHAIUSA-N 0 3 356.392 2.445 20 30 FEEDHN C[C@@H]1CN(CCCCCn2nnc(-c3ccccc3)n2)C[C@H](C)N1CC#N ZINC000602858791 568003092 /nfs/dbraw/zinc/00/30/92/568003092.db2.gz VHVBZZZFDYVOKJ-HDICACEKSA-N 0 3 367.501 2.429 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)NCc1cccc(COCc2ccco2)c1 ZINC000603632805 568128204 /nfs/dbraw/zinc/12/82/04/568128204.db2.gz DAKGIMUPYCGLGD-HNNXBMFYSA-N 0 3 371.437 2.486 20 30 FEEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000563104647 568190573 /nfs/dbraw/zinc/19/05/73/568190573.db2.gz ZRAINOJHTNYJAJ-UHFFFAOYSA-N 0 3 364.449 2.378 20 30 FEEDHN C=CC[NH+](CC=C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000735418378 598944902 /nfs/dbraw/zinc/94/49/02/598944902.db2.gz CDXYJMRNFDAPQB-UHFFFAOYSA-N 0 3 358.471 2.420 20 30 FEEDHN C=CC[NH+](CC=C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735418378 598944903 /nfs/dbraw/zinc/94/49/03/598944903.db2.gz CDXYJMRNFDAPQB-UHFFFAOYSA-N 0 3 358.471 2.420 20 30 FEEDHN C=CCCCCCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000807572549 674420447 /nfs/dbraw/zinc/42/04/47/674420447.db2.gz LEHBSHSHBKCWRD-QGZVFWFLSA-N 0 3 350.507 2.071 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(CCF)c2)cc1Cl ZINC000808979499 674476843 /nfs/dbraw/zinc/47/68/43/674476843.db2.gz JECXQAZPJQCLRA-LBPRGKRZSA-N 0 3 364.764 2.476 20 30 FEEDHN C#CC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819701360 606073768 /nfs/dbraw/zinc/07/37/68/606073768.db2.gz DTYRIQKDGAJJCP-UHFFFAOYSA-N 0 3 372.498 2.481 20 30 FEEDHN C#CC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819701360 606073774 /nfs/dbraw/zinc/07/37/74/606073774.db2.gz DTYRIQKDGAJJCP-UHFFFAOYSA-N 0 3 372.498 2.481 20 30 FEEDHN C#CC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000819701466 606074003 /nfs/dbraw/zinc/07/40/03/606074003.db2.gz IMUQYHCELYLOFL-UHFFFAOYSA-N 0 3 358.471 2.091 20 30 FEEDHN C#CC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000819701466 606074005 /nfs/dbraw/zinc/07/40/05/606074005.db2.gz IMUQYHCELYLOFL-UHFFFAOYSA-N 0 3 358.471 2.091 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000815082997 674914045 /nfs/dbraw/zinc/91/40/45/674914045.db2.gz KGMYIGQCQZDFHT-UHFFFAOYSA-N 0 3 352.353 2.078 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000815083405 674914565 /nfs/dbraw/zinc/91/45/65/674914565.db2.gz WTCQZKUTMBVFKJ-UHFFFAOYSA-N 0 3 354.475 2.491 20 30 FEEDHN CCn1nncc1C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000815907790 674983760 /nfs/dbraw/zinc/98/37/60/674983760.db2.gz KMSXPJSOAXCCGY-SNVBAGLBSA-N 0 3 361.789 2.230 20 30 FEEDHN CCC(CC)[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CCO1 ZINC000577099575 671416693 /nfs/dbraw/zinc/41/66/93/671416693.db2.gz DPRBJSSOISJIFW-IRXDYDNUSA-N 0 3 365.499 2.300 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000171737088 672335080 /nfs/dbraw/zinc/33/50/80/672335080.db2.gz DNSRTQXARWGVDL-UHFFFAOYSA-N 0 3 351.472 2.252 20 30 FEEDHN CCNC(=O)CCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000173979316 672356851 /nfs/dbraw/zinc/35/68/51/672356851.db2.gz VOXABTLZVMRVIS-NSHDSACASA-N 0 3 353.781 2.433 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CCC(=O)OCC)C2)CC1 ZINC000179033543 672398370 /nfs/dbraw/zinc/39/83/70/672398370.db2.gz RJQGPAGKOYUHPI-INIZCTEOSA-N 0 3 351.491 2.402 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000191268495 672662577 /nfs/dbraw/zinc/66/25/77/672662577.db2.gz LISFSBXJTNZVBP-INIZCTEOSA-N 0 3 354.372 2.284 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)nc1 ZINC000591755221 672708607 /nfs/dbraw/zinc/70/86/07/672708607.db2.gz ROPHOZLIWFJWTO-QXAKKESOSA-N 0 3 353.447 2.045 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)c1ccsc1 ZINC000591911880 672720193 /nfs/dbraw/zinc/72/01/93/672720193.db2.gz JJBRXGLCNFWWTF-NVXWUHKLSA-N 0 3 350.488 2.191 20 30 FEEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193402015 672722834 /nfs/dbraw/zinc/72/28/34/672722834.db2.gz USLVUNFYMNOGIS-JOYOIKCWSA-N 0 3 363.830 2.297 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000592145169 672763588 /nfs/dbraw/zinc/76/35/88/672763588.db2.gz PSCGYAROWDPKMH-ZFWWWQNUSA-N 0 3 354.376 2.421 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000247538052 672851355 /nfs/dbraw/zinc/85/13/55/672851355.db2.gz QJXJAERTCVTYFR-JHJVBQTASA-N 0 3 350.365 2.320 20 30 FEEDHN N#Cc1sccc1S(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000593588859 672952094 /nfs/dbraw/zinc/95/20/94/672952094.db2.gz NSWUWMHTXLVNBX-OAHLLOKOSA-N 0 3 361.492 2.420 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCC(C)(C)OCCO ZINC000314752765 673033035 /nfs/dbraw/zinc/03/30/35/673033035.db2.gz IZPKPRMORKLTOH-UHFFFAOYSA-N 0 3 356.260 2.338 20 30 FEEDHN COC(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)c(OC(F)F)c1 ZINC000594434282 673071348 /nfs/dbraw/zinc/07/13/48/673071348.db2.gz MIJCBYSNMKOYFZ-LLVKDONJSA-N 0 3 355.341 2.424 20 30 FEEDHN CSCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1nnc2ccccn21 ZINC000594440614 673072084 /nfs/dbraw/zinc/07/20/84/673072084.db2.gz HAFRORKGDFQYLZ-UONOGXRCSA-N 0 3 360.487 2.051 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000728409204 673201117 /nfs/dbraw/zinc/20/11/17/673201117.db2.gz MMFAERJRXBFACL-INIZCTEOSA-N 0 3 364.467 2.038 20 30 FEEDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595631682 673276333 /nfs/dbraw/zinc/27/63/33/673276333.db2.gz JWNAGLUBXQLBDE-MJEQTWJJSA-N 0 3 365.861 2.306 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CCSCC2)cc1 ZINC000733053115 673395291 /nfs/dbraw/zinc/39/52/91/673395291.db2.gz UOLPGMOSAJCCFC-HNNXBMFYSA-N 0 3 359.451 2.179 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000597005843 673436847 /nfs/dbraw/zinc/43/68/47/673436847.db2.gz ZZRFZPFFAMETFQ-NWDGAFQWSA-N 0 3 358.316 2.489 20 30 FEEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1C#N ZINC000597273155 673461876 /nfs/dbraw/zinc/46/18/76/673461876.db2.gz GIIJKRRBXBFKOA-ZIAGYGMSSA-N 0 3 353.300 2.352 20 30 FEEDHN C[C@@H]1[C@H](C)[S@](=O)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736629568 673535047 /nfs/dbraw/zinc/53/50/47/673535047.db2.gz RGXUIQPNCFYYCD-CCMITRKESA-N 0 3 361.492 2.314 20 30 FEEDHN COC(=O)c1cnc([C@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598628215 673592674 /nfs/dbraw/zinc/59/26/74/673592674.db2.gz LSGVRCGRSAIOTP-QWHCGFSZSA-N 0 3 351.472 2.410 20 30 FEEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599308840 673656556 /nfs/dbraw/zinc/65/65/56/673656556.db2.gz YBLWIZNHNUVWND-HMFAJSFMSA-N 0 3 364.511 2.488 20 30 FEEDHN N#Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000742291705 673719317 /nfs/dbraw/zinc/71/93/17/673719317.db2.gz IMKGOAHENNKVPU-CQSZACIVSA-N 0 3 351.447 2.336 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000601387201 673853152 /nfs/dbraw/zinc/85/31/52/673853152.db2.gz PVKYVSQQFPLTTE-ZDUSSCGKSA-N 0 3 353.463 2.357 20 30 FEEDHN CN(C)C[C@H]1COC2(CCCC2)CN1CC(=O)Nc1sccc1C#N ZINC000602910575 673913570 /nfs/dbraw/zinc/91/35/70/673913570.db2.gz ANYQTOMZBMDPJI-HNNXBMFYSA-N 0 3 362.499 2.133 20 30 FEEDHN COC(=O)C1CCN(CCCNC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000548306861 673949275 /nfs/dbraw/zinc/94/92/75/673949275.db2.gz DIRHSRMORHALHQ-UHFFFAOYSA-N 0 3 363.845 2.217 20 30 FEEDHN C#CCN(C)CCCNC(=O)COc1ccc(Br)cc1F ZINC000818584204 675226180 /nfs/dbraw/zinc/22/61/80/675226180.db2.gz HNMCRZKKYGOMIL-UHFFFAOYSA-N 0 3 357.223 2.038 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1nc(CC)n(-c2ccccc2Cl)n1 ZINC000818588949 675226558 /nfs/dbraw/zinc/22/65/58/675226558.db2.gz KKSVQLWRIYRERX-UHFFFAOYSA-N 0 3 359.861 2.168 20 30 FEEDHN C=CC1(CC(=O)N(CC)[C@@H]2CCN(C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000824841789 675625225 /nfs/dbraw/zinc/62/52/25/675625225.db2.gz NQVXJRYWEVHKJA-OAHLLOKOSA-N 0 3 351.491 2.352 20 30 FEEDHN C=CC1(CC(=O)N2C[C@@H](CC)N[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000826678872 675699929 /nfs/dbraw/zinc/69/99/29/675699929.db2.gz LYWOPCJSYWNZSD-LSDHHAIUSA-N 0 3 351.491 2.399 20 30 FEEDHN N#C[C@@]1(F)CCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000619385344 676374616 /nfs/dbraw/zinc/37/46/16/676374616.db2.gz AJWXGXPEJNWUTN-PIMMBPRGSA-N 0 3 362.371 2.439 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C#Cc1cccs1 ZINC000830069082 677023751 /nfs/dbraw/zinc/02/37/51/677023751.db2.gz IGZWCVQRZOEKMM-FQEVSTJZSA-N 0 3 354.475 2.195 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CNCC1(S(C)(=O)=O)CCCC1 ZINC000644646722 677247281 /nfs/dbraw/zinc/24/72/81/677247281.db2.gz IZMBXSXUPRKEMD-QGZVFWFLSA-N 0 3 367.511 2.102 20 30 FEEDHN C#C[C@H](NCCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H]1CCCO1 ZINC000839565637 680762174 /nfs/dbraw/zinc/76/21/74/680762174.db2.gz ZETAAGXYGSYWFT-DZGCQCFKSA-N 0 3 366.845 2.456 20 30 FEEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000661378727 678472604 /nfs/dbraw/zinc/47/26/04/678472604.db2.gz LFZQFNDUJOQISV-MRXNPFEDSA-N 0 3 361.511 2.321 20 30 FEEDHN CC(=O)N1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H](C)C1 ZINC000763634910 680788276 /nfs/dbraw/zinc/78/82/76/680788276.db2.gz JCKPNDOKDLPZJJ-TZMCWYRMSA-N 0 3 356.451 2.025 20 30 FEEDHN C=CC[C@@]1(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCC[NH2+]1 ZINC000662519425 678633149 /nfs/dbraw/zinc/63/31/49/678633149.db2.gz QGRJIQNQNGCKMK-KRWDZBQOSA-N 0 3 367.471 2.094 20 30 FEEDHN C[C@@H](O)CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(F)F ZINC000832203805 680110174 /nfs/dbraw/zinc/11/01/74/680110174.db2.gz CZZXKDJZAZVFHH-GHMZBOCLSA-N 0 3 353.394 2.420 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CSC(F)F)cc1OC ZINC000835063114 680292255 /nfs/dbraw/zinc/29/22/55/680292255.db2.gz UWVVOJJOFOXNQU-LLVKDONJSA-N 0 3 372.393 2.027 20 30 FEEDHN C=C(Br)CNC1CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1 ZINC000996827209 680342452 /nfs/dbraw/zinc/34/24/52/680342452.db2.gz YGDWDBIJKPXSNX-ZIAGYGMSSA-N 0 3 367.291 2.013 20 30 FEEDHN C=C(Br)CNC1CCC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001026531358 680346019 /nfs/dbraw/zinc/34/60/19/680346019.db2.gz DKYRMMWKPRFVEQ-RRXIHUGUSA-N 0 3 369.303 2.335 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(CCc2csc(C)n2)C1 ZINC001028549048 680374271 /nfs/dbraw/zinc/37/42/71/680374271.db2.gz KZOSKSNBIBDVJQ-NXHRZFHOSA-N 0 3 363.527 2.413 20 30 FEEDHN C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)nn2)C1 ZINC000999998502 680416360 /nfs/dbraw/zinc/41/63/60/680416360.db2.gz TVABIJHHLSAVQY-IXDOHACOSA-N 0 3 357.483 2.192 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2cnns2)CC1 ZINC001034753286 680439836 /nfs/dbraw/zinc/43/98/36/680439836.db2.gz DTIJVOZEKBYHEP-SDADXPQNSA-N 0 3 350.488 2.036 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1cc(OC)ns1 ZINC001035074542 680443049 /nfs/dbraw/zinc/44/30/49/680443049.db2.gz AERDVDUSUBMGSS-KMFMINBZSA-N 0 3 365.499 2.214 20 30 FEEDHN Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)c1C#N ZINC001042210780 680524038 /nfs/dbraw/zinc/52/40/38/680524038.db2.gz CLLRZVQPPHOVLG-WQVCFCJDSA-N 0 3 361.515 2.137 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCN(CCOC2CCC2)CC1 ZINC001005410160 680574474 /nfs/dbraw/zinc/57/44/74/680574474.db2.gz QKGZLAKUQNVPMU-MOPGFXCFSA-N 0 3 350.503 2.460 20 30 FEEDHN C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000759987161 680673803 /nfs/dbraw/zinc/67/38/03/680673803.db2.gz ULIJKJGKYXJOGV-HOCLYGCPSA-N 0 3 351.447 2.347 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCOc1ccc(C)cc1Cl ZINC000766258306 680872004 /nfs/dbraw/zinc/87/20/04/680872004.db2.gz YSCGIUFFTAFWTA-CYBMUJFWSA-N 0 3 352.818 2.279 20 30 FEEDHN C=CCN1CCC(NC(=O)CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000841390138 680876755 /nfs/dbraw/zinc/87/67/55/680876755.db2.gz GAACOFNGZIJPGM-UHFFFAOYSA-N 0 3 351.491 2.448 20 30 FEEDHN C[C@H](C[C@@H](O)c1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843087197 680986848 /nfs/dbraw/zinc/98/68/48/680986848.db2.gz JINZKEKBTZAURH-DNVCBOLYSA-N 0 3 358.463 2.434 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](CNCc2ccsc2)C1 ZINC001051616179 681067982 /nfs/dbraw/zinc/06/79/82/681067982.db2.gz ARRVIXOXQCYQDZ-ZACQAIPSSA-N 0 3 350.484 2.046 20 30 FEEDHN CNC(=O)CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943213 681331842 /nfs/dbraw/zinc/33/18/42/681331842.db2.gz JGXDOTBNIXEDCZ-KNVOCYPGSA-N 0 3 354.241 2.225 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000847378030 681370816 /nfs/dbraw/zinc/37/08/16/681370816.db2.gz ISNLITMYDATMCT-UHFFFAOYSA-N 0 3 353.369 2.105 20 30 FEEDHN CC[C@H]1C(=O)NCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000933227597 681378139 /nfs/dbraw/zinc/37/81/39/681378139.db2.gz MRHBOHRZVQBIER-JSGCOSHPSA-N 0 3 356.451 2.073 20 30 FEEDHN C#CCC1(NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CCC1 ZINC000933300326 681390209 /nfs/dbraw/zinc/39/02/09/681390209.db2.gz YHMKJVOHGOYGAS-UHFFFAOYSA-N 0 3 354.859 2.218 20 30 FEEDHN C=CC1(CC(=O)N(C)[C@H]2CCCN(C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000933485825 681419719 /nfs/dbraw/zinc/41/97/19/681419719.db2.gz HWCPBIRBMJAMGY-HNNXBMFYSA-N 0 3 351.491 2.352 20 30 FEEDHN C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@H](C)N2CCCCC2)cc1 ZINC000847958357 681455747 /nfs/dbraw/zinc/45/57/47/681455747.db2.gz IDSHUBLZPGPBNK-HNNXBMFYSA-N 0 3 366.483 2.182 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933715095 681456375 /nfs/dbraw/zinc/45/63/75/681456375.db2.gz YNBDTNBWNRXCLR-GFCCVEGCSA-N 0 3 355.364 2.047 20 30 FEEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H](C(N)=O)C1 ZINC000778291783 681593414 /nfs/dbraw/zinc/59/34/14/681593414.db2.gz YJUNMADPYJZUGG-BZPMIXESSA-N 0 3 356.451 2.058 20 30 FEEDHN C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000779355096 681708341 /nfs/dbraw/zinc/70/83/41/681708341.db2.gz ZGPWYSZSBNOFDR-GDBMZVCRSA-N 0 3 351.447 2.347 20 30 FEEDHN N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000849460306 681746663 /nfs/dbraw/zinc/74/66/63/681746663.db2.gz AINGORDHSJUJRZ-CYBMUJFWSA-N 0 3 351.447 2.383 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1)C1CCCC1 ZINC000850976330 681992250 /nfs/dbraw/zinc/99/22/50/681992250.db2.gz AMUSDJGYNAOWNX-GUYCJALGSA-N 0 3 350.365 2.495 20 30 FEEDHN C[C@H](CC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000850976387 681992438 /nfs/dbraw/zinc/99/24/38/681992438.db2.gz CQPKMRBFRWSVNS-BTJLNZGRSA-N 0 3 350.365 2.495 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC000961993710 682105531 /nfs/dbraw/zinc/10/55/31/682105531.db2.gz HIYXOJJVIKKSMR-AVEIZBFRSA-N 0 3 361.511 2.103 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000916874667 685528415 /nfs/dbraw/zinc/52/84/15/685528415.db2.gz HYZDQBHRSYTGQJ-HUUCEWRRSA-N 0 3 351.447 2.260 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cn1cc(Br)cn1 ZINC000916875334 685528478 /nfs/dbraw/zinc/52/84/78/685528478.db2.gz YMNKDTHZFHNSPF-GFCCVEGCSA-N 0 3 355.236 2.051 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)CSc1nccn1-c1ccccc1C ZINC000916921990 685528580 /nfs/dbraw/zinc/52/85/80/685528580.db2.gz ZHCZUDLQMYLPFR-CQSZACIVSA-N 0 3 354.435 2.284 20 30 FEEDHN CCN(CC)C(=O)CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917061764 685529420 /nfs/dbraw/zinc/52/94/20/685529420.db2.gz CITGMDVLNFSGBP-CYBMUJFWSA-N 0 3 358.467 2.273 20 30 FEEDHN N#Cc1cc(CS(=O)(=O)NC[C@H]2CCN2C2CCCCC2)cs1 ZINC000917980530 685536149 /nfs/dbraw/zinc/53/61/49/685536149.db2.gz SCAHDHHUQFOPTJ-OAHLLOKOSA-N 0 3 353.513 2.446 20 30 FEEDHN CN(Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000971718395 682369553 /nfs/dbraw/zinc/36/95/53/682369553.db2.gz DRNSAURSIRIOSL-APHBMKBZSA-N 0 3 355.467 2.179 20 30 FEEDHN CC[C@@H]1C[C@H](C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)CCO1 ZINC000786558707 682385610 /nfs/dbraw/zinc/38/56/10/682385610.db2.gz RAAWIMLCZFLIRB-KCPJHIHWSA-N 0 3 350.365 2.495 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C[C@H]21 ZINC000972339381 682407282 /nfs/dbraw/zinc/40/72/82/682407282.db2.gz DOIYYGQBYCRNGE-RBSFLKMASA-N 0 3 355.910 2.165 20 30 FEEDHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000855336233 682658850 /nfs/dbraw/zinc/65/88/50/682658850.db2.gz LDAPIBOBCUCIKE-GOSISDBHSA-N 0 3 364.490 2.481 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000856177379 682750469 /nfs/dbraw/zinc/75/04/69/682750469.db2.gz NPUJLNRHINEVPT-OAHLLOKOSA-N 0 3 355.265 2.488 20 30 FEEDHN C=C(C)CS(=O)(=O)N1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856549796 682792806 /nfs/dbraw/zinc/79/28/06/682792806.db2.gz UZLRTVSFGHTWDV-SFHVURJKSA-N 0 3 367.515 2.281 20 30 FEEDHN C#CCCOc1ccc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000858252923 682949721 /nfs/dbraw/zinc/94/97/21/682949721.db2.gz XFUBPEHKRIVJEO-QZTJIDSGSA-N 0 3 350.484 2.039 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnn2c1OCCC2 ZINC000796746597 683192247 /nfs/dbraw/zinc/19/22/47/683192247.db2.gz NYJSXHZSGWUZNC-SNVBAGLBSA-N 0 3 362.748 2.419 20 30 FEEDHN N#CC[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000928805435 683506531 /nfs/dbraw/zinc/50/65/31/683506531.db2.gz GCQQIGPDMHLHNK-OAHLLOKOSA-N 0 3 354.376 2.159 20 30 FEEDHN C#CCN(C(=O)NCc1ccnc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000922684104 683766380 /nfs/dbraw/zinc/76/63/80/683766380.db2.gz OCLKOZNWRQDYFE-UHFFFAOYSA-N 0 3 354.376 2.339 20 30 FEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000930724896 683776474 /nfs/dbraw/zinc/77/64/74/683776474.db2.gz AFIMXTIIOBUORS-UHFFFAOYSA-N 0 3 373.425 2.104 20 30 FEEDHN C=CCN1CCC(Nc2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865522394 683993021 /nfs/dbraw/zinc/99/30/21/683993021.db2.gz PTXOTUVPWMNGMK-UHFFFAOYSA-N 0 3 374.304 2.159 20 30 FEEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000924568870 684470487 /nfs/dbraw/zinc/47/04/87/684470487.db2.gz FFVXDNLQJCOFDA-HNNXBMFYSA-N 0 3 365.499 2.125 20 30 FEEDHN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000868521131 684505612 /nfs/dbraw/zinc/50/56/12/684505612.db2.gz QEOLRYKUYKZTLB-IHRRRGAJSA-N 0 3 357.882 2.185 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000876558451 686219505 /nfs/dbraw/zinc/21/95/05/686219505.db2.gz RFUGTXWRONAGEK-LLVKDONJSA-N 0 3 374.666 2.282 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000876584222 686224501 /nfs/dbraw/zinc/22/45/01/686224501.db2.gz UQMQXVUDJCUSDS-OAHLLOKOSA-N 0 3 351.834 2.096 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000876621188 686230235 /nfs/dbraw/zinc/23/02/35/686230235.db2.gz XTDZSALOXQECPT-HNNXBMFYSA-N 0 3 356.898 2.079 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000876639357 686234489 /nfs/dbraw/zinc/23/44/89/686234489.db2.gz OKLXKTNFIDMOQX-OAHLLOKOSA-N 0 3 351.834 2.190 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1 ZINC000876638003 686234523 /nfs/dbraw/zinc/23/45/23/686234523.db2.gz ZAEKQBUFGLDUOH-UONOGXRCSA-N 0 3 369.918 2.388 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000876712374 686250567 /nfs/dbraw/zinc/25/05/67/686250567.db2.gz PUENQXVTKWEUGD-MRXNPFEDSA-N 0 3 351.878 2.118 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000876873670 686285623 /nfs/dbraw/zinc/28/56/23/686285623.db2.gz NOMYLEFOPRELQT-ZIAGYGMSSA-N 0 3 351.882 2.180 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000876963716 686301846 /nfs/dbraw/zinc/30/18/46/686301846.db2.gz UGDZDZKQPNVDHZ-HOCLYGCPSA-N 0 3 350.846 2.479 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877194330 686338771 /nfs/dbraw/zinc/33/87/71/686338771.db2.gz IGGFKHVZEUIGAP-ZIAGYGMSSA-N 0 3 358.504 2.013 20 30 FEEDHN C=CCCc1ccc(S(=O)(=O)NCC2(O)CCN(C(C)C)CC2)cc1 ZINC000881988848 687279506 /nfs/dbraw/zinc/27/95/06/687279506.db2.gz OHOFNSLQZKLMRE-UHFFFAOYSA-N 0 3 366.527 2.319 20 30 FEEDHN C[C@@H](Cc1nc2ccccc2s1)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884108817 687790917 /nfs/dbraw/zinc/79/09/17/687790917.db2.gz MTIFVUQOPQNEHT-TXCIGDHXSA-N 0 3 354.479 2.483 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@H](c1nccs1)c1ccccc1)C2 ZINC000884110262 687791762 /nfs/dbraw/zinc/79/17/62/687791762.db2.gz DSBFRSXTWRLIDN-BHEGOAEISA-N 0 3 352.463 2.488 20 30 FEEDHN C#CCN(C(=O)c1[nH]nc(C(C)C)c1Br)C1CCN(C)CC1 ZINC000886582329 688279659 /nfs/dbraw/zinc/27/96/59/688279659.db2.gz PLEQRCMWEAMLRQ-UHFFFAOYSA-N 0 3 367.291 2.465 20 30 FEEDHN COC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCCOC1 ZINC000886913659 688340135 /nfs/dbraw/zinc/34/01/35/688340135.db2.gz HOILGGRZBKXCHQ-ZFWWWQNUSA-N 0 3 351.472 2.206 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@H]2COCO2)cc1OC ZINC000894868497 689611109 /nfs/dbraw/zinc/61/11/09/689611109.db2.gz GFLVCHGAPBTKMB-LBPRGKRZSA-N 0 3 358.232 2.485 20 30 FEEDHN CNC(=O)CN1CCCC12CCN(c1cc(C#N)c3ccccc3n1)CC2 ZINC001164689400 719739940 /nfs/dbraw/zinc/73/99/40/719739940.db2.gz FJJPCBQZROBHPH-UHFFFAOYSA-N 0 3 363.465 2.287 20 30 FEEDHN COc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1C#N ZINC001164897303 721510366 /nfs/dbraw/zinc/51/03/66/721510366.db2.gz FRHFPGRRXUPYGE-AEFFLSMTSA-N 0 3 368.412 2.443 20 30 FEEDHN COc1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164902679 721526700 /nfs/dbraw/zinc/52/67/00/721526700.db2.gz AYTRJPIUEHYCPQ-WBVHZDCISA-N 0 3 368.412 2.443 20 30 FEEDHN COc1cc(C#N)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906321 721537777 /nfs/dbraw/zinc/53/77/77/721537777.db2.gz JSBLUBUGUMJVBG-APWZRJJASA-N 0 3 368.412 2.443 20 30 FEEDHN C=CCn1cccc1C(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000488196975 857290621 /nfs/dbraw/zinc/29/06/21/857290621.db2.gz GCJACFPZXQWIQW-AWEZNQCLSA-N 0 3 359.393 2.097 20 30 FEEDHN C#C[C@H](NC(=O)N1CCCN(C)CC1)c1ccc(Br)cc1 ZINC000820625435 675375219 /nfs/dbraw/zinc/37/52/19/675375219.db2.gz IPIVOMADUKAGBQ-HNNXBMFYSA-N 0 3 350.260 2.471 20 30 FEEDHN CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000041593425 540026120 /nfs/dbraw/zinc/02/61/20/540026120.db2.gz JTRWRCCVDCDLJE-SFHVURJKSA-N 0 3 356.470 2.369 20 30 FEEDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000049698515 540391597 /nfs/dbraw/zinc/39/15/97/540391597.db2.gz RWYDLPCUMSJWRA-UHFFFAOYSA-N 0 3 350.422 2.296 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)N1CCC[C@@H](C)C1 ZINC000062121472 541145191 /nfs/dbraw/zinc/14/51/91/541145191.db2.gz HRRRLWPMNGNYJJ-CHWSQXEVSA-N 0 3 362.861 2.387 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](C(=O)NCCC)C1 ZINC000065353385 541234633 /nfs/dbraw/zinc/23/46/33/541234633.db2.gz GQHQAGSQOYVVLX-RBUKOAKNSA-N 0 3 360.498 2.393 20 30 FEEDHN C#CCN1CCC(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000066922196 541394765 /nfs/dbraw/zinc/39/47/65/541394765.db2.gz FEIATDDROGTPMS-UHFFFAOYSA-N 0 3 358.457 2.335 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000068714469 541622270 /nfs/dbraw/zinc/62/22/70/541622270.db2.gz SGAGXWYXILPCOO-INIZCTEOSA-N 0 3 353.466 2.336 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000071072642 541762670 /nfs/dbraw/zinc/76/26/70/541762670.db2.gz LVTYEXFQPVGACS-KRWDZBQOSA-N 0 3 353.422 2.365 20 30 FEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C2 ZINC000073995655 542024146 /nfs/dbraw/zinc/02/41/46/542024146.db2.gz BKAQXLAVQSIKEZ-PKOBYXMFSA-N 0 3 368.481 2.409 20 30 FEEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)C[C@@H](O)COCc1ccccc1 ZINC000074289322 542064595 /nfs/dbraw/zinc/06/45/95/542064595.db2.gz JGAFGQFKSILDDE-HXUWFJFHSA-N 0 3 367.449 2.396 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2ccsc2)n1 ZINC000074457580 542086208 /nfs/dbraw/zinc/08/62/08/542086208.db2.gz HFRZOSJFPQEWDK-JTQLQIEISA-N 0 3 356.494 2.477 20 30 FEEDHN C[C@H](NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)c1cccc(C#N)c1 ZINC000074917962 542136108 /nfs/dbraw/zinc/13/61/08/542136108.db2.gz GARCSCLKRQCRTP-QFBILLFUSA-N 0 3 355.486 2.041 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1nnc2ccccn21)C(C)C ZINC000079265240 542509184 /nfs/dbraw/zinc/50/91/84/542509184.db2.gz IZEQVISUCLRJRN-INIZCTEOSA-N 0 3 356.474 2.227 20 30 FEEDHN CC(C)N1CC[C@@H](NCC(=O)NCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000801956572 674156687 /nfs/dbraw/zinc/15/66/87/674156687.db2.gz POZFYEFQDSGGED-AEFFLSMTSA-N 0 3 350.413 2.108 20 30 FEEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2nc[nH]n2)CC1 ZINC000083445174 542697318 /nfs/dbraw/zinc/69/73/18/542697318.db2.gz IWALXEZUNJPVDR-AWEZNQCLSA-N 0 3 370.432 2.459 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000084680507 542718972 /nfs/dbraw/zinc/71/89/72/542718972.db2.gz GMAZZRYSMCNSQE-AOCRQIFASA-N 0 3 364.534 2.219 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000085576578 542730217 /nfs/dbraw/zinc/73/02/17/542730217.db2.gz AGBAAJIVODOZSQ-IAGOWNOFSA-N 0 3 372.469 2.410 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000092806329 542888312 /nfs/dbraw/zinc/88/83/12/542888312.db2.gz QPSDBRXLRWSIQP-OAHLLOKOSA-N 0 3 350.850 2.340 20 30 FEEDHN CC(C)C(=O)NC[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000101911350 543049761 /nfs/dbraw/zinc/04/97/61/543049761.db2.gz NEQJESUFGWZNLM-CQSZACIVSA-N 0 3 362.499 2.433 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)CC1 ZINC000103206684 543097500 /nfs/dbraw/zinc/09/75/00/543097500.db2.gz IPBFZVYXLRLZBI-UHFFFAOYSA-N 0 3 372.538 2.136 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCn2cnc3c(C)cccc3c2=O)CC1 ZINC000106038149 543186163 /nfs/dbraw/zinc/18/61/63/543186163.db2.gz XJCPXARFCYIQMF-UHFFFAOYSA-N 0 3 368.481 2.252 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(F)c(OC)c(F)c2)CC1 ZINC000106349032 543224825 /nfs/dbraw/zinc/22/48/25/543224825.db2.gz GTWOROBLMPTJLP-UHFFFAOYSA-N 0 3 367.396 2.069 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(OCC)c(F)c2)CC1 ZINC000106349027 543224857 /nfs/dbraw/zinc/22/48/57/543224857.db2.gz PWSWMFVXDASSFR-UHFFFAOYSA-N 0 3 363.433 2.320 20 30 FEEDHN CCN1CCC(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000108604844 543297326 /nfs/dbraw/zinc/29/73/26/543297326.db2.gz SURDMRRPMBYGIE-CQSZACIVSA-N 0 3 374.510 2.477 20 30 FEEDHN COCCN(C)CC[C@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1 ZINC000109142588 543315714 /nfs/dbraw/zinc/31/57/14/543315714.db2.gz CNZDGKLPTSHJEH-SFHVURJKSA-N 0 3 359.470 2.133 20 30 FEEDHN CCN1CCN(Cc2ccc(NC(=O)C3(C#N)CCOCC3)cc2)CC1 ZINC000109139872 543315854 /nfs/dbraw/zinc/31/58/54/543315854.db2.gz HIIKTCBCDRFNHW-UHFFFAOYSA-N 0 3 356.470 2.083 20 30 FEEDHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109404079 543324090 /nfs/dbraw/zinc/32/40/90/543324090.db2.gz DYAGJAWWHOUXRX-CVEARBPZSA-N 0 3 359.449 2.012 20 30 FEEDHN CN(C)CCNC(=O)c1ccc(CNC(=O)C2(C#N)CCCCC2)cc1 ZINC000112294441 543439465 /nfs/dbraw/zinc/43/94/65/543439465.db2.gz SKHFHSIFNVZACK-UHFFFAOYSA-N 0 3 356.470 2.068 20 30 FEEDHN C#CCOc1ccc(CNCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000113319340 543484054 /nfs/dbraw/zinc/48/40/54/543484054.db2.gz JPMUBTHQNCZAEX-UHFFFAOYSA-N 0 3 350.466 2.135 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000552108948 674188310 /nfs/dbraw/zinc/18/83/10/674188310.db2.gz ODXZKIVNOLNEJF-BBRMVZONSA-N 0 3 351.447 2.086 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000116547370 543609991 /nfs/dbraw/zinc/60/99/91/543609991.db2.gz XTYJRHUCNXJNTI-WMZOPIPTSA-N 0 3 364.534 2.410 20 30 FEEDHN CCN(CC)CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000118095185 543644535 /nfs/dbraw/zinc/64/45/35/543644535.db2.gz HDZIQCBADORENP-CQSZACIVSA-N 0 3 362.499 2.335 20 30 FEEDHN CCN(CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 ZINC000118121072 543646823 /nfs/dbraw/zinc/64/68/23/543646823.db2.gz MENVICXKLORXBN-CQSZACIVSA-N 0 3 374.510 2.477 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCO)c2ccc(OC)cc2)CC1 ZINC000120709312 543683522 /nfs/dbraw/zinc/68/35/22/543683522.db2.gz ATDNITPHKIYMLW-IBGZPJMESA-N 0 3 361.486 2.458 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C(=O)N3CCCC3)n2)CC1 ZINC000119279414 543665665 /nfs/dbraw/zinc/66/56/65/543665665.db2.gz DQZIPIHTCBVATB-UHFFFAOYSA-N 0 3 356.470 2.088 20 30 FEEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000119486456 543668507 /nfs/dbraw/zinc/66/85/07/543668507.db2.gz KOZPKMUYQKFRIN-OALUTQOASA-N 0 3 374.481 2.010 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2nncn2C)CC1)C(C)C ZINC000119705952 543670472 /nfs/dbraw/zinc/67/04/72/543670472.db2.gz ZQOXLVAVFLKSFS-GOSISDBHSA-N 0 3 374.533 2.403 20 30 FEEDHN N#Cc1ccc2ncc(CNC[C@H](O)COc3ccc(F)c(F)c3)n2c1 ZINC000123661381 543775730 /nfs/dbraw/zinc/77/57/30/543775730.db2.gz JQKZLXAIMFYAJY-AWEZNQCLSA-N 0 3 358.348 2.014 20 30 FEEDHN C=CCC[C@@H](O)CN1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000126209163 543923951 /nfs/dbraw/zinc/92/39/51/543923951.db2.gz IHXFQCUYNSNNSQ-LJQANCHMSA-N 0 3 360.498 2.489 20 30 FEEDHN CCN1CCN(CCCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000130260118 544144332 /nfs/dbraw/zinc/14/43/32/544144332.db2.gz WZERZAXHZRQZJR-UHFFFAOYSA-N 0 3 372.513 2.250 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)N(CCN(C)C)CCN(C)C)cc1C#N ZINC000133088698 544255453 /nfs/dbraw/zinc/25/54/53/544255453.db2.gz IINZKPVSZVAPGK-UHFFFAOYSA-N 0 3 361.490 2.303 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000139914665 544405663 /nfs/dbraw/zinc/40/56/63/544405663.db2.gz GDQONEHQXMLSNV-QGZVFWFLSA-N 0 3 359.539 2.422 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000139914665 544405667 /nfs/dbraw/zinc/40/56/67/544405667.db2.gz GDQONEHQXMLSNV-QGZVFWFLSA-N 0 3 359.539 2.422 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150845650 544477915 /nfs/dbraw/zinc/47/79/15/544477915.db2.gz VOXFLJXUIBSZNM-QGZVFWFLSA-N 0 3 370.497 2.273 20 30 FEEDHN Cc1cc(Br)ccc1CNCCNC(=O)C1N=CC=CC1=O ZINC000151980559 544602182 /nfs/dbraw/zinc/60/21/82/544602182.db2.gz ABBZJQFPLHHSFK-NXVVXOECSA-N 0 3 364.243 2.374 20 30 FEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151974302 544602819 /nfs/dbraw/zinc/60/28/19/544602819.db2.gz FYABDARGMGFWDN-YJBOKZPZSA-N 0 3 356.470 2.466 20 30 FEEDHN C[C@H](NC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)cc1 ZINC000153283150 544756321 /nfs/dbraw/zinc/75/63/21/544756321.db2.gz ALNWEWLUHWRWEY-STQMWFEESA-N 0 3 372.448 2.133 20 30 FEEDHN CC(C)[C@H](C)NC(=O)C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000153893742 544836961 /nfs/dbraw/zinc/83/69/61/544836961.db2.gz CDGHPRFFXNAVMP-QFBILLFUSA-N 0 3 373.497 2.171 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCC[C@@H](C)N1CCCCC1 ZINC000185914213 327938957 /nfs/dbraw/zinc/93/89/57/327938957.db2.gz YGQGFMAYMBIFIQ-CQSZACIVSA-N 0 3 351.472 2.110 20 30 FEEDHN COC(=O)COc1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000187730254 328042426 /nfs/dbraw/zinc/04/24/26/328042426.db2.gz WGWOVXHWEITJSL-LJQANCHMSA-N 0 3 354.406 2.275 20 30 FEEDHN COC(=O)COc1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000187730228 328042434 /nfs/dbraw/zinc/04/24/34/328042434.db2.gz WGWOVXHWEITJSL-IBGZPJMESA-N 0 3 354.406 2.275 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCN(C)C)C1CCCC1 ZINC000190369217 328203576 /nfs/dbraw/zinc/20/35/76/328203576.db2.gz YHUMSXZXMHVSAJ-UHFFFAOYSA-N 0 3 372.469 2.228 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000192982279 328350456 /nfs/dbraw/zinc/35/04/56/328350456.db2.gz OLDHWGDUOBKWJU-GOSISDBHSA-N 0 3 355.463 2.359 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000054851127 324766534 /nfs/dbraw/zinc/76/65/34/324766534.db2.gz KVAMYOIWFHIRPL-UHFFFAOYSA-N 0 3 372.469 2.132 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077541731 324995037 /nfs/dbraw/zinc/99/50/37/324995037.db2.gz GWKSKWZNAZMXME-MGPQQGTHSA-N 0 3 360.433 2.118 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000078484106 325047907 /nfs/dbraw/zinc/04/79/07/325047907.db2.gz CNNQAXASXYFRBR-IBGZPJMESA-N 0 3 371.481 2.022 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)NC1CCCC1 ZINC000123951123 326445222 /nfs/dbraw/zinc/44/52/22/326445222.db2.gz PAYBYMVDVPUOBD-UHFFFAOYSA-N 0 3 370.497 2.287 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000130565720 326559234 /nfs/dbraw/zinc/55/92/34/326559234.db2.gz DURISIMWGOWGBB-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000171224985 327125850 /nfs/dbraw/zinc/12/58/50/327125850.db2.gz RKXFIAWYPWPJNX-IAGOWNOFSA-N 0 3 355.482 2.449 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000172154469 327184355 /nfs/dbraw/zinc/18/43/55/327184355.db2.gz WYSOLNXBVQHSMR-SFHVURJKSA-N 0 3 370.501 2.049 20 30 FEEDHN N#Cc1ccc(-c2nnc(CN3CCN(CC4CCOCC4)CC3)o2)cc1 ZINC000173770618 327283139 /nfs/dbraw/zinc/28/31/39/327283139.db2.gz SYPBWZHPVULFOZ-UHFFFAOYSA-N 0 3 367.453 2.152 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1C#N ZINC000174782047 327350951 /nfs/dbraw/zinc/35/09/51/327350951.db2.gz UKGHVYSEXLHOAA-AWEZNQCLSA-N 0 3 356.470 2.432 20 30 FEEDHN CCN1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000266128160 329192839 /nfs/dbraw/zinc/19/28/39/329192839.db2.gz QKDDLMSNSPAFRJ-UHFFFAOYSA-N 0 3 368.359 2.116 20 30 FEEDHN COc1ccc(CN[C@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N ZINC000266169335 329196770 /nfs/dbraw/zinc/19/67/70/329196770.db2.gz QNDIYMQUCHXCTL-QGZVFWFLSA-N 0 3 365.481 2.262 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000371456144 330243693 /nfs/dbraw/zinc/24/36/93/330243693.db2.gz FSMFZMWSQUKCNF-ROUUACIJSA-N 0 3 370.453 2.267 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416706000 330262517 /nfs/dbraw/zinc/26/25/17/330262517.db2.gz MHGULFMDNDYAGV-OXJNMPFZSA-N 0 3 369.513 2.261 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1F ZINC000805074390 674317168 /nfs/dbraw/zinc/31/71/68/674317168.db2.gz JIQVQNXJSZTKQV-CPUCHLNUSA-N 0 3 365.836 2.316 20 30 FEEDHN CSC[C@@](C)(C#N)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000554776901 674336054 /nfs/dbraw/zinc/33/60/54/674336054.db2.gz VMOGPBWLTKFQMG-LJQANCHMSA-N 0 3 360.527 2.350 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(CS(C)(=O)=O)c(C)s2)CC1 ZINC000155969723 545587999 /nfs/dbraw/zinc/58/79/99/545587999.db2.gz MERMPVNENGAHHT-UHFFFAOYSA-N 0 3 370.540 2.371 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160676275 546062912 /nfs/dbraw/zinc/06/29/12/546062912.db2.gz HZTUFZJQPYFIEI-RTBURBONSA-N 0 3 358.486 2.423 20 30 FEEDHN C=CCN(CCOC)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000478781127 561174615 /nfs/dbraw/zinc/17/46/15/561174615.db2.gz CSDXJCMDMRRAFA-UHFFFAOYSA-N 0 3 374.529 2.168 20 30 FEEDHN O=C(NCCNCc1cc(F)cc(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000162609513 546140341 /nfs/dbraw/zinc/14/03/41/546140341.db2.gz SIXHNLVAUIOEKO-CCEZHUSRSA-N 0 3 357.307 2.461 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000171607331 546216697 /nfs/dbraw/zinc/21/66/97/546216697.db2.gz YOHOXDXAXPRIOL-UHFFFAOYSA-N 0 3 370.497 2.195 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000171718670 546220925 /nfs/dbraw/zinc/22/09/25/546220925.db2.gz XSABITDCTUGEAQ-UHFFFAOYSA-N 0 3 355.398 2.161 20 30 FEEDHN C=CCN1CCC(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000171721713 546222046 /nfs/dbraw/zinc/22/20/46/546222046.db2.gz YCVDFGQKYLGNIB-UHFFFAOYSA-N 0 3 350.846 2.420 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000171740117 546222690 /nfs/dbraw/zinc/22/26/90/546222690.db2.gz WWDLJYITFOTSMU-UHFFFAOYSA-N 0 3 373.425 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000171736630 546223646 /nfs/dbraw/zinc/22/36/46/546223646.db2.gz YUWBVJWXQLLNRR-UHFFFAOYSA-N 0 3 370.497 2.113 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000173196221 546275875 /nfs/dbraw/zinc/27/58/75/546275875.db2.gz VBTATXYMXHMRFD-SFHVURJKSA-N 0 3 356.470 2.050 20 30 FEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C2 ZINC000173223561 546275902 /nfs/dbraw/zinc/27/59/02/546275902.db2.gz ZPJYPYQJIWYJKD-DLBZAZTESA-N 0 3 354.454 2.121 20 30 FEEDHN Cc1cccc(N2CCN(CCC(=O)N(CCC#N)CCC#N)CC2)c1 ZINC000174215909 546293574 /nfs/dbraw/zinc/29/35/74/546293574.db2.gz RHXNHVZRFNCYHX-UHFFFAOYSA-N 0 3 353.470 2.163 20 30 FEEDHN COc1ccc(N2CCN(CCCNCc3ccc(C#N)o3)CC2)cc1 ZINC000174248934 546293983 /nfs/dbraw/zinc/29/39/83/546293983.db2.gz QJBNOBMQSYOJOQ-UHFFFAOYSA-N 0 3 354.454 2.462 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000175619692 546320797 /nfs/dbraw/zinc/32/07/97/546320797.db2.gz MCDLDQLZFNQPSQ-INIZCTEOSA-N 0 3 373.501 2.352 20 30 FEEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1 ZINC000176046042 546395396 /nfs/dbraw/zinc/39/53/96/546395396.db2.gz CDXNYFTXMSGELC-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000480305512 561206785 /nfs/dbraw/zinc/20/67/85/561206785.db2.gz FCQWXZWYCQUUIZ-HNNXBMFYSA-N 0 3 351.468 2.184 20 30 FEEDHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000176898892 546504219 /nfs/dbraw/zinc/50/42/19/546504219.db2.gz OECCIIOYFBSDKX-KRWDZBQOSA-N 0 3 356.470 2.369 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1 ZINC000177055937 546534124 /nfs/dbraw/zinc/53/41/24/546534124.db2.gz PVWHSGOSSDXMPG-UHFFFAOYSA-N 0 3 364.877 2.111 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480695018 561214607 /nfs/dbraw/zinc/21/46/07/561214607.db2.gz IQTANEQSSIIOLP-KGLIPLIRSA-N 0 3 353.463 2.237 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@@H](O)C2)cc1 ZINC000481020986 561223092 /nfs/dbraw/zinc/22/30/92/561223092.db2.gz VLEWLFZIRABZIU-VNHYZAJKSA-N 0 3 365.455 2.045 20 30 FEEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000178028435 546725076 /nfs/dbraw/zinc/72/50/76/546725076.db2.gz AWWWKWOCZQANFI-OAHLLOKOSA-N 0 3 368.433 2.422 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000178507376 546805151 /nfs/dbraw/zinc/80/51/51/546805151.db2.gz FDZDBXPAMUENFS-SJORKVTESA-N 0 3 354.454 2.279 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@@]2(O)CCOC2)cc1OC ZINC000179018604 546887502 /nfs/dbraw/zinc/88/75/02/546887502.db2.gz YQBZXWGINAJWNC-INIZCTEOSA-N 0 3 372.259 2.264 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000481880097 561244590 /nfs/dbraw/zinc/24/45/90/561244590.db2.gz SKPLIKPQOLOJFB-SJORKVTESA-N 0 3 373.497 2.104 20 30 FEEDHN C[C@@](C#N)(NC(=O)CN[C@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 ZINC000179745020 547006367 /nfs/dbraw/zinc/00/63/67/547006367.db2.gz ILKVFLDHSWJMRE-PMACEKPBSA-N 0 3 355.438 2.307 20 30 FEEDHN C=CCNC(=O)CN[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000180030871 547040478 /nfs/dbraw/zinc/04/04/78/547040478.db2.gz JIBNOIQMVIZNLP-LLVKDONJSA-N 0 3 359.348 2.194 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000180363331 547092660 /nfs/dbraw/zinc/09/26/60/547092660.db2.gz YUEYPZMZQHRNAW-UHFFFAOYSA-N 0 3 366.509 2.341 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000180931251 547212974 /nfs/dbraw/zinc/21/29/74/547212974.db2.gz ULQVMYLJDMRZSA-HNNXBMFYSA-N 0 3 374.485 2.354 20 30 FEEDHN COc1c2cnn(C)c2ncc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000181462885 547318723 /nfs/dbraw/zinc/31/87/23/547318723.db2.gz CEJNRXNMDHMGGD-NSHDSACASA-N 0 3 360.377 2.354 20 30 FEEDHN C#CCN1CCC(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000181624773 547347173 /nfs/dbraw/zinc/34/71/73/547347173.db2.gz GICYIPHBVMYQKG-UHFFFAOYSA-N 0 3 370.428 2.270 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCS2)cc1 ZINC000483550370 561279534 /nfs/dbraw/zinc/27/95/34/561279534.db2.gz OZWASCACYDHOGO-WCQYABFASA-N 0 3 353.469 2.389 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C[C@@H]2CCCO2)cc1 ZINC000483625439 561280882 /nfs/dbraw/zinc/28/08/82/561280882.db2.gz UHXGNXLZNANCDQ-IPYPFGDCSA-N 0 3 365.455 2.451 20 30 FEEDHN COCCOC[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182814596 547555724 /nfs/dbraw/zinc/55/57/24/547555724.db2.gz IQRAJTQMQLLJCZ-IEBWSBKVSA-N 0 3 357.454 2.039 20 30 FEEDHN C=C(C)[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)c(F)c1 ZINC000184853457 547887128 /nfs/dbraw/zinc/88/71/28/547887128.db2.gz IMRTYYUJGQKBFP-KDOFPFPSSA-N 0 3 365.424 2.108 20 30 FEEDHN COC(=O)[C@@](C)(CN[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000189947169 548314297 /nfs/dbraw/zinc/31/42/97/548314297.db2.gz COGQYQFNTKGHDX-JXFKEZNVSA-N 0 3 371.481 2.438 20 30 FEEDHN O=C(NCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1N=CC=CC1=O ZINC000192996512 548378135 /nfs/dbraw/zinc/37/81/35/548378135.db2.gz UTXRSHHJOGHPCZ-DVEDPGPFSA-N 0 3 356.382 2.088 20 30 FEEDHN C=CCc1cc(CNC(=O)C[C@H]2CSCCN2)cc(OC)c1OC ZINC000237343667 548819475 /nfs/dbraw/zinc/81/94/75/548819475.db2.gz IZQLAHDDQFBEEA-HNNXBMFYSA-N 0 3 350.484 2.144 20 30 FEEDHN COc1ccc(CNCCc2nnc3n2CCC3)cc1OCCCC#N ZINC000237398192 548823107 /nfs/dbraw/zinc/82/31/07/548823107.db2.gz WGTRLYVVBGMZOB-UHFFFAOYSA-N 0 3 355.442 2.248 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H]1C ZINC000245858531 549004846 /nfs/dbraw/zinc/00/48/46/549004846.db2.gz HLLOZHPIVFFRJQ-ZACQAIPSSA-N 0 3 360.527 2.435 20 30 FEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000246172970 549068722 /nfs/dbraw/zinc/06/87/22/549068722.db2.gz FUGRKASNJJSLIM-STQMWFEESA-N 0 3 362.861 2.387 20 30 FEEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247150873 549291878 /nfs/dbraw/zinc/29/18/78/549291878.db2.gz YNMKKMVGSXCYPG-ZWKOTPCHSA-N 0 3 373.497 2.172 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCCc2nnc3ccccn32)CC1 ZINC000489182240 561405224 /nfs/dbraw/zinc/40/52/24/561405224.db2.gz KIPUDLJOOCDSLW-UHFFFAOYSA-N 0 3 356.474 2.002 20 30 FEEDHN C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCC[C@@H](C)C1 ZINC000248393382 549426823 /nfs/dbraw/zinc/42/68/23/549426823.db2.gz LPXCNJZAQVVRME-HUUCEWRRSA-N 0 3 367.457 2.381 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)CC1(C#N)CC1 ZINC000248633607 549472551 /nfs/dbraw/zinc/47/25/51/549472551.db2.gz IYKHRSCMNBZQKQ-VQFNDLOPSA-N 0 3 361.511 2.366 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000248691965 549485516 /nfs/dbraw/zinc/48/55/16/549485516.db2.gz ZCLOGPYCKKKTMX-CABCVRRESA-N 0 3 373.501 2.290 20 30 FEEDHN CN1CCN(c2ncccc2CNC(=N)Nc2cc(F)ccc2F)CC1 ZINC000262297944 549807864 /nfs/dbraw/zinc/80/78/64/549807864.db2.gz PJBPCPXPPHBZOZ-UHFFFAOYSA-N 0 3 360.412 2.038 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC000490415571 561432611 /nfs/dbraw/zinc/43/26/11/561432611.db2.gz KGNCRKPHAGZDPA-HMXCVIKNSA-N 0 3 374.525 2.197 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000264323469 549994286 /nfs/dbraw/zinc/99/42/86/549994286.db2.gz BKUQTMIICLWCLZ-HZPDHXFCSA-N 0 3 373.501 2.467 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000264400225 549995184 /nfs/dbraw/zinc/99/51/84/549995184.db2.gz OYVAAWVGSPWZDD-UHFFFAOYSA-N 0 3 365.499 2.393 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)N(C)C ZINC000269098239 550154100 /nfs/dbraw/zinc/15/41/00/550154100.db2.gz MZHASGGLNVQLQL-CYBMUJFWSA-N 0 3 350.850 2.243 20 30 FEEDHN C=CCOc1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1OC ZINC000270054499 550246119 /nfs/dbraw/zinc/24/61/19/550246119.db2.gz CYIQFILOGLYAKH-UHFFFAOYSA-N 0 3 371.437 2.236 20 30 FEEDHN C=C(C)[C@@H](CC(=O)NCCCN1CCN(c2ccncc2)CC1)OCC ZINC000270104349 550249386 /nfs/dbraw/zinc/24/93/86/550249386.db2.gz RFCABEYKRBXWJZ-LJQANCHMSA-N 0 3 360.502 2.081 20 30 FEEDHN CN(CCC#N)c1ccc(CN(CCO)CCOCC(F)(F)F)cc1 ZINC000271163600 550347308 /nfs/dbraw/zinc/34/73/08/550347308.db2.gz GQRUTBNWDOMEKL-UHFFFAOYSA-N 0 3 359.392 2.410 20 30 FEEDHN C[C@H]1OCC[C@@]1(C)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000494207094 561464656 /nfs/dbraw/zinc/46/46/56/561464656.db2.gz BAQGDFBKZMNLOD-CXAGYDPISA-N 0 3 354.372 2.330 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O ZINC000494411532 561469199 /nfs/dbraw/zinc/46/91/99/561469199.db2.gz BVMKSDAMIVYFQF-IAGOWNOFSA-N 0 3 362.518 2.108 20 30 FEEDHN CC1(C#N)CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000272631859 550461872 /nfs/dbraw/zinc/46/18/72/550461872.db2.gz WHSCSAOWCYUYJD-UHFFFAOYSA-N 0 3 358.461 2.490 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000272639327 550462168 /nfs/dbraw/zinc/46/21/68/550462168.db2.gz ZXLMSSMHYSSMAA-HOTGVXAUSA-N 0 3 370.453 2.003 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000494487296 561470563 /nfs/dbraw/zinc/47/05/63/561470563.db2.gz QLAUWXMQQDDHBS-HKUYNNGSSA-N 0 3 374.485 2.109 20 30 FEEDHN N#CC1(CS(=O)(=O)N2CCC(N3CCc4ccccc4C3)CC2)CC1 ZINC000274160217 550525811 /nfs/dbraw/zinc/52/58/11/550525811.db2.gz FKTYXXZYTHNWQJ-UHFFFAOYSA-N 0 3 359.495 2.143 20 30 FEEDHN N#Cc1ccc(CN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000274351513 550533951 /nfs/dbraw/zinc/53/39/51/550533951.db2.gz SKNCUHRVTOIERV-NRFANRHFSA-N 0 3 360.417 2.255 20 30 FEEDHN CC#CCCCC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000274384515 550535524 /nfs/dbraw/zinc/53/55/24/550535524.db2.gz ZZQDHCXMXGOMTJ-UHFFFAOYSA-N 0 3 357.498 2.469 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN(C)CCOCCOCC)c(OC)c1 ZINC000276310898 550577754 /nfs/dbraw/zinc/57/77/54/550577754.db2.gz XFBFLOASWWTQNO-SFHVURJKSA-N 0 3 367.486 2.148 20 30 FEEDHN N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000277096344 550631754 /nfs/dbraw/zinc/63/17/54/550631754.db2.gz WCQQSOVDJVHOMK-UHFFFAOYSA-N 0 3 356.451 2.028 20 30 FEEDHN OCC[C@@H](NCC#CCN[C@@H](CCO)c1ccccc1)c1ccccc1 ZINC000278693262 550811876 /nfs/dbraw/zinc/81/18/76/550811876.db2.gz SKGYVEQRRSHBOJ-SZPZYZBQSA-N 0 3 352.478 2.416 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000280033033 550954273 /nfs/dbraw/zinc/95/42/73/550954273.db2.gz LDGCAEZGUOLUOH-LMMKCTJWSA-N 0 3 355.463 2.411 20 30 FEEDHN Cc1cc([C@@](C)(O)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)o1 ZINC000280295689 550977785 /nfs/dbraw/zinc/97/77/85/550977785.db2.gz GYIHPPYYRFWAFS-XLIONFOSSA-N 0 3 351.406 2.474 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nnc2ccccc2n1 ZINC000280933946 551047069 /nfs/dbraw/zinc/04/70/69/551047069.db2.gz KSMFUUZISYJIOM-UHFFFAOYSA-N 0 3 360.421 2.100 20 30 FEEDHN COc1cc(CNCc2cccc(C(=O)NCCN(C)C)c2)ccc1C#N ZINC000281598942 551118349 /nfs/dbraw/zinc/11/83/49/551118349.db2.gz FSXYIUJKWNASFI-UHFFFAOYSA-N 0 3 366.465 2.148 20 30 FEEDHN CN(C)CCc1ccccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000282026588 551171198 /nfs/dbraw/zinc/17/11/98/551171198.db2.gz OTMVXFMDLMSOKA-UHFFFAOYSA-N 0 3 356.470 2.175 20 30 FEEDHN COCCC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1 ZINC000282302104 551208946 /nfs/dbraw/zinc/20/89/46/551208946.db2.gz MJJVWZHCYKQOAV-NXDJFEHLSA-N 0 3 361.417 2.409 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000282504849 551238503 /nfs/dbraw/zinc/23/85/03/551238503.db2.gz ZEEIEAQHYSJAQL-SFHVURJKSA-N 0 3 354.498 2.271 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000282685078 551259707 /nfs/dbraw/zinc/25/97/07/551259707.db2.gz AHVUKAHJOSJAHS-SJORKVTESA-N 0 3 351.468 2.359 20 30 FEEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccccc1 ZINC000283124819 551315823 /nfs/dbraw/zinc/31/58/23/551315823.db2.gz ZGENXXJWCZAPJB-LSDHHAIUSA-N 0 3 352.504 2.184 20 30 FEEDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000283551270 551386296 /nfs/dbraw/zinc/38/62/96/551386296.db2.gz ODXVAYPDZIBBQK-LLVKDONJSA-N 0 3 372.288 2.035 20 30 FEEDHN N#Cc1ccnc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000283698449 551411807 /nfs/dbraw/zinc/41/18/07/551411807.db2.gz IBRIVRKMCYOECL-UHFFFAOYSA-N 0 3 363.465 2.285 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(CC)Cc1ccccn1)C(C)C ZINC000284057654 551476140 /nfs/dbraw/zinc/47/61/40/551476140.db2.gz NCIRVHKTKSSLMC-IBGZPJMESA-N 0 3 372.513 2.245 20 30 FEEDHN CCCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)[N-][C@H](C)CC)cc1 ZINC000284486948 551560187 /nfs/dbraw/zinc/56/01/87/551560187.db2.gz SEMSMLPVEIREHT-CYBMUJFWSA-O 0 3 360.507 2.382 20 30 FEEDHN Cn1ncc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2ccc(C(C)(C)C)cc2)n1 ZINC000284547494 551574704 /nfs/dbraw/zinc/57/47/04/551574704.db2.gz VVFXKENLTPOBFJ-UHFFFAOYSA-O 0 3 372.518 2.481 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000285277685 551730861 /nfs/dbraw/zinc/73/08/61/551730861.db2.gz ZTOOYEOVKFUYQZ-DLBZAZTESA-N 0 3 361.486 2.073 20 30 FEEDHN N#Cc1c(N2CCC(CN3CCOCC3)CC2)nc2cc(Cl)ccn12 ZINC000286173896 551857306 /nfs/dbraw/zinc/85/73/06/551857306.db2.gz DALNPMVMRMBWEE-UHFFFAOYSA-N 0 3 359.861 2.408 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000286475507 551890336 /nfs/dbraw/zinc/89/03/36/551890336.db2.gz IVNPONVTSXUHHP-LJQANCHMSA-N 0 3 370.497 2.292 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000286508210 551894161 /nfs/dbraw/zinc/89/41/61/551894161.db2.gz KTYWSDCMWPDTCF-KRWDZBQOSA-N 0 3 365.424 2.299 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC000286581762 551902375 /nfs/dbraw/zinc/90/23/75/551902375.db2.gz ZKVICGOOXASFAS-IEZWGBDMSA-N 0 3 357.454 2.037 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)CC1 ZINC000286640791 551909319 /nfs/dbraw/zinc/90/93/19/551909319.db2.gz MZHQIYRSFRGDLQ-HKUYNNGSSA-N 0 3 369.509 2.466 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(Cc2ccc(F)cc2)CC2CC2)CC1 ZINC000286818608 551929234 /nfs/dbraw/zinc/92/92/34/551929234.db2.gz WDKZNNWWOLZONP-UHFFFAOYSA-N 0 3 373.472 2.331 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000286964131 551945407 /nfs/dbraw/zinc/94/54/07/551945407.db2.gz AZFNZZNXIXLFAJ-BLLLJJGKSA-N 0 3 363.439 2.015 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000286964144 551945484 /nfs/dbraw/zinc/94/54/84/551945484.db2.gz AZFNZZNXIXLFAJ-WBMJQRKESA-N 0 3 363.439 2.015 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CSC2(C)C)cc1 ZINC000287343119 551991855 /nfs/dbraw/zinc/99/18/55/551991855.db2.gz PLVILXKSKSSPJZ-GXFFZTMASA-N 0 3 353.469 2.388 20 30 FEEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)N(C)C)cc1 ZINC000287881950 552058235 /nfs/dbraw/zinc/05/82/35/552058235.db2.gz FPCUZVHNYLAJDR-QZTJIDSGSA-N 0 3 360.458 2.010 20 30 FEEDHN C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CCN(C)CC1 ZINC000287994829 552072439 /nfs/dbraw/zinc/07/24/39/552072439.db2.gz VJJPXARAEPIUAV-WMLDXEAASA-N 0 3 356.445 2.290 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288190058 552107582 /nfs/dbraw/zinc/10/75/82/552107582.db2.gz OVFBIKTWIXLMLO-GDBMZVCRSA-N 0 3 371.485 2.138 20 30 FEEDHN CC(C)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1nc(-c2nc[n-]n2)no1 ZINC000499627932 561554932 /nfs/dbraw/zinc/55/49/32/561554932.db2.gz WBRFXLXPWGFYON-ZDUSSCGKSA-N 0 3 359.434 2.242 20 30 FEEDHN CC(C)[C@H](NCCCC1(C#N)CCOCC1)c1nc(-c2nc[nH]n2)no1 ZINC000499627932 561554933 /nfs/dbraw/zinc/55/49/33/561554933.db2.gz WBRFXLXPWGFYON-ZDUSSCGKSA-N 0 3 359.434 2.242 20 30 FEEDHN C[C@H]1CCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000499915655 561561364 /nfs/dbraw/zinc/56/13/64/561561364.db2.gz PHOYLPPEKPUKTG-QFBILLFUSA-N 0 3 370.497 2.001 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000289241860 552287338 /nfs/dbraw/zinc/28/73/38/552287338.db2.gz WVYUWMIWKSITHU-LJQANCHMSA-N 0 3 363.461 2.438 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289432408 552320970 /nfs/dbraw/zinc/32/09/70/552320970.db2.gz SBWRCBNCMDQVQJ-FMEYXAORSA-N 0 3 364.440 2.308 20 30 FEEDHN C=CCn1c(-c2cccn2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000289606374 552348896 /nfs/dbraw/zinc/34/88/96/552348896.db2.gz IWTIHPRWNMWMMV-MRXNPFEDSA-N 0 3 370.501 2.159 20 30 FEEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)COCC(F)(F)F)CC1 ZINC000292431940 552726290 /nfs/dbraw/zinc/72/62/90/552726290.db2.gz LWACVBXUTXKNCA-OAHLLOKOSA-N 0 3 357.376 2.010 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1F ZINC000292929450 552772065 /nfs/dbraw/zinc/77/20/65/552772065.db2.gz IMCMNCBTSOXLDT-UHFFFAOYSA-N 0 3 351.447 2.336 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@@H]1N(C)C ZINC000293317564 552810886 /nfs/dbraw/zinc/81/08/86/552810886.db2.gz FJAWZEWIYBRSKW-NWDGAFQWSA-N 0 3 358.389 2.090 20 30 FEEDHN C#CCN(C)CCCNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000293960973 552871277 /nfs/dbraw/zinc/87/12/77/552871277.db2.gz LARYQMYIELPVII-OAHLLOKOSA-N 0 3 365.886 2.214 20 30 FEEDHN CCOC(=O)c1cnn(C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000295070213 552956021 /nfs/dbraw/zinc/95/60/21/552956021.db2.gz AIKNVWCXPINJDQ-IBGZPJMESA-N 0 3 368.437 2.302 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H](O)Cc2cccc(F)c2)cc1 ZINC000295636344 553037494 /nfs/dbraw/zinc/03/74/94/553037494.db2.gz SXCIZCQKIXZXMB-PKOBYXMFSA-N 0 3 351.381 2.099 20 30 FEEDHN CC(C)(CC#N)CS(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000296466283 553164583 /nfs/dbraw/zinc/16/45/83/553164583.db2.gz XQDNEJIZJDVOEP-HDICACEKSA-N 0 3 361.511 2.320 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)CN1CCCCC1 ZINC000296678934 553197359 /nfs/dbraw/zinc/19/73/59/553197359.db2.gz HYSBEVPEXSORGZ-CQSZACIVSA-N 0 3 353.463 2.239 20 30 FEEDHN C[C@H]1CN(C2CC2)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000296695556 553199184 /nfs/dbraw/zinc/19/91/84/553199184.db2.gz KFRWRSHBEBYKJM-JXFKEZNVSA-N 0 3 352.482 2.470 20 30 FEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000296700241 553200142 /nfs/dbraw/zinc/20/01/42/553200142.db2.gz CLGFVZHOOCLBNV-INIZCTEOSA-N 0 3 360.433 2.263 20 30 FEEDHN Cc1nsc(NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1C#N ZINC000297552065 553308133 /nfs/dbraw/zinc/30/81/33/553308133.db2.gz ZPQONXSILRZYBE-HNNXBMFYSA-N 0 3 371.466 2.212 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccn2ccnc2c1)C(C)C ZINC000297705570 553327848 /nfs/dbraw/zinc/32/78/48/553327848.db2.gz BABJUJOQFYYXAF-QGZVFWFLSA-N 0 3 369.469 2.088 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)N(CCN(CC)CC)Cc1cccs1 ZINC000297865712 553350073 /nfs/dbraw/zinc/35/00/73/553350073.db2.gz OROKHPJDOMNRMR-UHFFFAOYSA-N 0 3 351.516 2.453 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000299047754 553508234 /nfs/dbraw/zinc/50/82/34/553508234.db2.gz FTIUXXIOKHXWIE-KGLIPLIRSA-N 0 3 373.400 2.482 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)Sc1nncn1C)C(C)C ZINC000299145769 553521265 /nfs/dbraw/zinc/52/12/65/553521265.db2.gz PSOGAWBQCYMONN-HUUCEWRRSA-N 0 3 351.520 2.111 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(-n4cncn4)cc3)C2=O)cc1 ZINC000503932427 561650178 /nfs/dbraw/zinc/65/01/78/561650178.db2.gz YMXVEIAKCVZKJW-HXUWFJFHSA-N 0 3 372.432 2.424 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000299206416 553530613 /nfs/dbraw/zinc/53/06/13/553530613.db2.gz RGLPCEHHHJFJPW-OAGGEKHMSA-N 0 3 372.469 2.010 20 30 FEEDHN C[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCN1CC(C)(C)O ZINC000302467573 553717914 /nfs/dbraw/zinc/71/79/14/553717914.db2.gz BWMMZUQOWDFALS-CYBMUJFWSA-N 0 3 369.425 2.296 20 30 FEEDHN O=C(NC1CCN(C2CC2)CC1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000328609304 553795893 /nfs/dbraw/zinc/79/58/93/553795893.db2.gz MQWNEHQSGARDID-GOSISDBHSA-N 0 3 362.518 2.441 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000328746850 553815996 /nfs/dbraw/zinc/81/59/96/553815996.db2.gz OWZJOADGANYBRL-LLVKDONJSA-N 0 3 370.247 2.276 20 30 FEEDHN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC000328722233 553812780 /nfs/dbraw/zinc/81/27/80/553812780.db2.gz XJTUVRBXCOPOTQ-RYQLBKOJSA-N 0 3 366.502 2.154 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328760764 553818194 /nfs/dbraw/zinc/81/81/94/553818194.db2.gz XSLONVNNDHBRAF-GOEBONIOSA-N 0 3 364.490 2.127 20 30 FEEDHN Cc1csc([C@@H]2CN(C(=O)NCCN3CCC[C@@H](C)C3)CCO2)n1 ZINC000328787358 553822425 /nfs/dbraw/zinc/82/24/25/553822425.db2.gz JLVCHHSBFDTYKE-HIFRSBDPSA-N 0 3 352.504 2.471 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)C[C@H](C)O1 ZINC000328842883 553831421 /nfs/dbraw/zinc/83/14/21/553831421.db2.gz QGCGZFYWKVPCOL-WTLGNFPFSA-N 0 3 365.518 2.289 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000328957767 553852658 /nfs/dbraw/zinc/85/26/58/553852658.db2.gz JMAPFUDONNBJIL-NYUBLWNDSA-N 0 3 374.481 2.199 20 30 FEEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000328979839 553858090 /nfs/dbraw/zinc/85/80/90/553858090.db2.gz DCBUCPGRUXUVRK-UWWQBHOKSA-N 0 3 359.474 2.055 20 30 FEEDHN O=C(CN1CC[C@H](c2nc(C3CC3)no2)C1)NC1CCN(C2CC2)CC1 ZINC000329020897 553865843 /nfs/dbraw/zinc/86/58/43/553865843.db2.gz HTMRXYDQHXXZSK-AWEZNQCLSA-N 0 3 359.474 2.320 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000329029411 553867507 /nfs/dbraw/zinc/86/75/07/553867507.db2.gz ANYLQQGOWOBOLP-GOSISDBHSA-N 0 3 370.497 2.262 20 30 FEEDHN CN(C)C(=O)c1cccc(CNC(=O)N2CCCC23CCN(C)CC3)c1 ZINC000329084360 553877431 /nfs/dbraw/zinc/87/74/31/553877431.db2.gz TYKHKHVNCXHRKD-UHFFFAOYSA-N 0 3 358.486 2.363 20 30 FEEDHN COCCOc1ncccc1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000329090429 553878478 /nfs/dbraw/zinc/87/84/78/553878478.db2.gz WNBIXFGCHKOBON-UHFFFAOYSA-N 0 3 362.474 2.081 20 30 FEEDHN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@H]1CN1CCCCC1 ZINC000329130313 553885822 /nfs/dbraw/zinc/88/58/22/553885822.db2.gz WWMYFYAJRKSBBI-ZIFCJYIRSA-N 0 3 351.491 2.189 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329158087 553891529 /nfs/dbraw/zinc/89/15/29/553891529.db2.gz WSFYHBDVUAXRLI-HZPDHXFCSA-N 0 3 350.507 2.298 20 30 FEEDHN CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000329179851 553896644 /nfs/dbraw/zinc/89/66/44/553896644.db2.gz MUWCIBHDZKOFLA-CYBMUJFWSA-N 0 3 351.472 2.215 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 ZINC000329198425 553900262 /nfs/dbraw/zinc/90/02/62/553900262.db2.gz WOTDMOVTBPVOGL-GOSISDBHSA-N 0 3 358.486 2.499 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCCN3C3CCCC3)CC2)nc1 ZINC000329214019 553903745 /nfs/dbraw/zinc/90/37/45/553903745.db2.gz KLJDNWSHURHBOJ-IBGZPJMESA-N 0 3 367.497 2.399 20 30 FEEDHN CC[C@@H]1CN(C(=O)NCC2(N(C)C)CCCCCC2)C[C@@H](C)S1(=O)=O ZINC000329222037 553905306 /nfs/dbraw/zinc/90/53/06/553905306.db2.gz VRTHEUXYMLSPPW-HZPDHXFCSA-N 0 3 373.563 2.453 20 30 FEEDHN CN1CC[C@]2(CCN(C(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)C1 ZINC000329250026 553910701 /nfs/dbraw/zinc/91/07/01/553910701.db2.gz XJIQXMBKVOJABN-JXFKEZNVSA-N 0 3 362.518 2.109 20 30 FEEDHN CC[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1nnc2n1CCCCC2 ZINC000329302357 553920821 /nfs/dbraw/zinc/92/08/21/553920821.db2.gz WTBGKXGPQPIQDK-JYJNAYRXSA-N 0 3 360.506 2.396 20 30 FEEDHN C[C@H](NC(=O)NCc1ccccc1N1CCOCC1)C1=CCN(C)CC1 ZINC000329342326 553928815 /nfs/dbraw/zinc/92/88/15/553928815.db2.gz PNGRNHXQBBNSCF-INIZCTEOSA-N 0 3 358.486 2.177 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000329362050 553932342 /nfs/dbraw/zinc/93/23/42/553932342.db2.gz CSUSBXOZXSRFGL-QGZVFWFLSA-N 0 3 360.506 2.004 20 30 FEEDHN COCCn1cc2c(n1)[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)CCC2 ZINC000329598498 553974339 /nfs/dbraw/zinc/97/43/39/553974339.db2.gz WKZJHOGHWHCBOW-NVXWUHKLSA-N 0 3 363.506 2.095 20 30 FEEDHN CN(C)C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1ccccc1 ZINC000329629628 553979759 /nfs/dbraw/zinc/97/97/59/553979759.db2.gz VCNOZODXJMRNLD-NTDBWNAOSA-N 0 3 374.485 2.459 20 30 FEEDHN CCC1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCOCC1 ZINC000329793103 554007000 /nfs/dbraw/zinc/00/70/00/554007000.db2.gz ASADBRBJNBOMKL-UHFFFAOYSA-N 0 3 353.507 2.151 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000329802820 554008642 /nfs/dbraw/zinc/00/86/42/554008642.db2.gz KRMCXWMJSZJVPN-MNEFBYGVSA-N 0 3 365.518 2.433 20 30 FEEDHN CN(C)[C@@H]1CCC[C@@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000329806083 554008996 /nfs/dbraw/zinc/00/89/96/554008996.db2.gz LCBKCVXBFXIDTC-HZPDHXFCSA-N 0 3 371.547 2.207 20 30 FEEDHN CC(C)C(=O)N1CCC(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)CC1 ZINC000329808111 554009573 /nfs/dbraw/zinc/00/95/73/554009573.db2.gz BORVYBOUBHGNSN-OAHLLOKOSA-N 0 3 352.523 2.210 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000329815602 554010670 /nfs/dbraw/zinc/01/06/70/554010670.db2.gz VIIJLVDIGVBVHA-SJLPKXTDSA-N 0 3 364.534 2.008 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000329890160 554025105 /nfs/dbraw/zinc/02/51/05/554025105.db2.gz FUCUMLBGTSEHBM-ZFKCKOODSA-N 0 3 357.454 2.024 20 30 FEEDHN CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CN2CCC1CC2 ZINC000329932086 554034071 /nfs/dbraw/zinc/03/40/71/554034071.db2.gz AWIONAVRGDRGFQ-SJLPKXTDSA-N 0 3 362.518 2.108 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000329946564 554036604 /nfs/dbraw/zinc/03/66/04/554036604.db2.gz GNASSQSRDCMQGZ-VQIMIIECSA-N 0 3 353.507 2.435 20 30 FEEDHN Cc1cccc2c1OCC[C@H]2NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000329965331 554040251 /nfs/dbraw/zinc/04/02/51/554040251.db2.gz RADIFNGPBDPBCN-SJLPKXTDSA-N 0 3 360.502 2.348 20 30 FEEDHN C[C@H](C(=O)NC1CCN(C(C)(C)C)CC1)S(=O)(=O)C1CCOCC1 ZINC000330034940 554052774 /nfs/dbraw/zinc/05/27/74/554052774.db2.gz BLDKRWOJZVRMAP-CYBMUJFWSA-N 0 3 360.520 2.188 20 30 FEEDHN CCN1CCC(NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1 ZINC000330043532 554054110 /nfs/dbraw/zinc/05/41/10/554054110.db2.gz FFMJUCYFWQNZSH-UHFFFAOYSA-N 0 3 360.506 2.192 20 30 FEEDHN Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@]3(N(C)C)CCSC3)C2)c1 ZINC000330065442 554057962 /nfs/dbraw/zinc/05/79/62/554057962.db2.gz DADQSIDEUWENEF-WBVHZDCISA-N 0 3 351.520 2.180 20 30 FEEDHN CS[C@@H]1CN(C(=O)CNC(=O)c2ccsc2)C[C@H]1N1CCCC1 ZINC000330123006 554069011 /nfs/dbraw/zinc/06/90/11/554069011.db2.gz KOTAGRAURBRGTA-ZIAGYGMSSA-N 0 3 353.513 2.091 20 30 FEEDHN Cc1ncc(S(=O)(=O)N2CCC[C@H](N3[C@H](C)CC[C@@H]3C)C2)cc1C#N ZINC000330200765 554083668 /nfs/dbraw/zinc/08/36/68/554083668.db2.gz WXEZIQAILMRYCS-VBQJREDUSA-N 0 3 362.499 2.288 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330234680 554090391 /nfs/dbraw/zinc/09/03/91/554090391.db2.gz STDYZWQNIJTNMT-KRWDZBQOSA-N 0 3 351.491 2.259 20 30 FEEDHN Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000330254070 554093647 /nfs/dbraw/zinc/09/36/47/554093647.db2.gz JHAFHYLTWIQENV-KBPBESRZSA-N 0 3 364.490 2.494 20 30 FEEDHN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000330325551 554105631 /nfs/dbraw/zinc/10/56/31/554105631.db2.gz JJPNHSZLWZZCQG-BMGDILEWSA-N 0 3 362.474 2.098 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2cccnc2OCC(F)F)C[C@@H]1N(C)C ZINC000330813554 554174878 /nfs/dbraw/zinc/17/48/78/554174878.db2.gz LHEXTKRWMITAFI-RYUDHWBXSA-N 0 3 360.430 2.248 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2cccnc2OCC(F)F)C[C@@H]1N(C)C ZINC000330813553 554174900 /nfs/dbraw/zinc/17/49/00/554174900.db2.gz LHEXTKRWMITAFI-NWDGAFQWSA-N 0 3 360.430 2.248 20 30 FEEDHN COC(=O)c1cc(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)ccc1C ZINC000330835405 554177092 /nfs/dbraw/zinc/17/70/92/554177092.db2.gz WSKDZJNHBFNZFN-HUUCEWRRSA-N 0 3 351.472 2.305 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)CC)s2)C1 ZINC000330994587 554198618 /nfs/dbraw/zinc/19/86/18/554198618.db2.gz TYGUGUBWQROHNM-GFCCVEGCSA-N 0 3 359.517 2.030 20 30 FEEDHN CN(CCCN(C)C(=O)C(=O)Nc1ccc(F)cc1C#N)Cc1ccco1 ZINC000508587765 561766876 /nfs/dbraw/zinc/76/68/76/561766876.db2.gz MBRUSTQGSXUVDY-UHFFFAOYSA-N 0 3 372.400 2.209 20 30 FEEDHN Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000331228865 554233611 /nfs/dbraw/zinc/23/36/11/554233611.db2.gz CGMAJRVAZUZTIL-BBRMVZONSA-N 0 3 367.515 2.500 20 30 FEEDHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@H]1CCCN1C1CCCCC1 ZINC000331241563 554235554 /nfs/dbraw/zinc/23/55/54/554235554.db2.gz JZZADGHQMOQDPA-HLLBOEOZSA-N 0 3 373.563 2.451 20 30 FEEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000508770357 561772216 /nfs/dbraw/zinc/77/22/16/561772216.db2.gz OBBBIDLSHJSTAG-LPHOPBHVSA-N 0 3 358.486 2.447 20 30 FEEDHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000531044499 562432824 /nfs/dbraw/zinc/43/28/24/562432824.db2.gz VZPCFZPTKAALHS-CQSZACIVSA-N 0 3 360.483 2.089 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)C2)n1 ZINC000333055686 554565900 /nfs/dbraw/zinc/56/59/00/554565900.db2.gz MDUYQCQIKWDSIK-NJAFHUGGSA-N 0 3 367.497 2.220 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCCN(Cc3cccs3)C2)C1=O ZINC000348513879 554687656 /nfs/dbraw/zinc/68/76/56/554687656.db2.gz ONAOBSNRQIBHCF-HOCLYGCPSA-N 0 3 363.483 2.083 20 30 FEEDHN Cc1nc(C2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n[nH]1 ZINC000360471954 554876079 /nfs/dbraw/zinc/87/60/79/554876079.db2.gz GODNCUWWJIRFCQ-GOSISDBHSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1n[nH]c(C2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000360471954 554876081 /nfs/dbraw/zinc/87/60/81/554876081.db2.gz GODNCUWWJIRFCQ-GOSISDBHSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1nnc(C2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)[nH]1 ZINC000360471954 554876083 /nfs/dbraw/zinc/87/60/83/554876083.db2.gz GODNCUWWJIRFCQ-GOSISDBHSA-N 0 3 364.453 2.360 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000511624337 561874924 /nfs/dbraw/zinc/87/49/24/561874924.db2.gz CEBXSLYLQBHBEV-NWDGAFQWSA-N 0 3 361.389 2.441 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000362776207 554987701 /nfs/dbraw/zinc/98/77/01/554987701.db2.gz TYBXMUYGDHOTDU-GOSISDBHSA-N 0 3 354.454 2.364 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC000363191746 555049627 /nfs/dbraw/zinc/04/96/27/555049627.db2.gz BWSGFHFFENZFLC-UHFFFAOYSA-N 0 3 354.454 2.268 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000363418148 555100403 /nfs/dbraw/zinc/10/04/03/555100403.db2.gz MVIXZKQAVXEZDU-PBWTXFEYSA-N 0 3 371.481 2.331 20 30 FEEDHN N#CCCn1ccc(=NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)[nH]1 ZINC000363424916 555102370 /nfs/dbraw/zinc/10/23/70/555102370.db2.gz WDNDHBPXEWGPAC-SFHVURJKSA-N 0 3 366.469 2.830 20 30 FEEDHN N#CCCn1ccc(=NC(=O)NC2CCN(Cc3cccs3)CC2)[nH]1 ZINC000363425043 555102809 /nfs/dbraw/zinc/10/28/09/555102809.db2.gz XBAATTXXLOUYCM-UHFFFAOYSA-N 0 3 358.471 2.644 20 30 FEEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)C2(C#N)CCOCC2)C1 ZINC000363758638 555180246 /nfs/dbraw/zinc/18/02/46/555180246.db2.gz DMZYNFFPRYDRAM-UHFFFAOYSA-N 0 3 357.454 2.074 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000363870999 555203228 /nfs/dbraw/zinc/20/32/28/555203228.db2.gz YYOGLUWFZBVQIR-ROUUACIJSA-N 0 3 352.523 2.196 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCN([C@@H](C)CO)CC1 ZINC000364215954 555271936 /nfs/dbraw/zinc/27/19/36/555271936.db2.gz QRJZNNSVINARKM-DLBZAZTESA-N 0 3 365.543 2.040 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000364339992 555294466 /nfs/dbraw/zinc/29/44/66/555294466.db2.gz FLXAUBQJJOUNSJ-KRWDZBQOSA-N 0 3 370.497 2.331 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000364472614 555319990 /nfs/dbraw/zinc/31/99/90/555319990.db2.gz BUMFHBVEBLHJEU-OAQYLSRUSA-N 0 3 350.466 2.361 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000512664802 561911571 /nfs/dbraw/zinc/91/15/71/561911571.db2.gz BMSYKVMHJCBANW-QUCCMNQESA-N 0 3 369.513 2.280 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4C#N)C3)[C@H]2C1 ZINC000364990312 555458582 /nfs/dbraw/zinc/45/85/82/555458582.db2.gz WLBRYUXFCPDENO-POAQFYNOSA-N 0 3 367.497 2.263 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000365712443 555648194 /nfs/dbraw/zinc/64/81/94/555648194.db2.gz OROKQXSTWRSTRF-OALUTQOASA-N 0 3 365.481 2.183 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000366034855 555732944 /nfs/dbraw/zinc/73/29/44/555732944.db2.gz SWLJKVHHPCNEBP-ROUKRRSUSA-N 0 3 352.482 2.198 20 30 FEEDHN CCCN1CCCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000366370178 555824442 /nfs/dbraw/zinc/82/44/42/555824442.db2.gz JKGAWGVKAXBINU-UHFFFAOYSA-N 0 3 359.474 2.015 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CCCN(CC(C)C)CC3)CC2)o1 ZINC000366384051 555828892 /nfs/dbraw/zinc/82/88/92/555828892.db2.gz UORMJZGXHCTQER-UHFFFAOYSA-N 0 3 373.501 2.261 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000366702566 555913254 /nfs/dbraw/zinc/91/32/54/555913254.db2.gz OMRQZNRXTPDAMU-CADBVGFASA-N 0 3 358.486 2.355 20 30 FEEDHN CN(C)C[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)c2ccccc2O1 ZINC000366885119 555960386 /nfs/dbraw/zinc/96/03/86/555960386.db2.gz UZLGBKOXWYEROQ-SFHVURJKSA-N 0 3 365.433 2.487 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000367464691 556057498 /nfs/dbraw/zinc/05/74/98/556057498.db2.gz IRYVZYQAYBDWAS-KSSFIOAISA-N 0 3 364.453 2.025 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@H]2[C@H]1c1ccccc1 ZINC000367708604 556120238 /nfs/dbraw/zinc/12/02/38/556120238.db2.gz VFRYSNKGNLUDBW-KZNAEPCWSA-N 0 3 361.511 2.491 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000515468146 562011687 /nfs/dbraw/zinc/01/16/87/562011687.db2.gz KHWKFKAJWDZAPW-UKRRQHHQSA-N 0 3 371.312 2.368 20 30 FEEDHN CC(C)(C#N)CCCN1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000369030789 556482386 /nfs/dbraw/zinc/48/23/86/556482386.db2.gz MZOPBURCYUHCIC-KRWDZBQOSA-N 0 3 373.501 2.047 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000369137123 556513896 /nfs/dbraw/zinc/51/38/96/556513896.db2.gz KNARQSCHJUWSJM-LJQANCHMSA-N 0 3 367.497 2.477 20 30 FEEDHN CCCN1CCN(C2CCN(C(=O)NCc3cccc(C#N)c3)CC2)CC1 ZINC000369142770 556515596 /nfs/dbraw/zinc/51/55/96/556515596.db2.gz FCJAOOIVPIRBBA-UHFFFAOYSA-N 0 3 369.513 2.260 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2[C@H]2CCCN2C(C)=O)CC1 ZINC000369433521 556599473 /nfs/dbraw/zinc/59/94/73/556599473.db2.gz FKVQTJYEXUHAMZ-RTBURBONSA-N 0 3 362.518 2.212 20 30 FEEDHN N#CC[C@H](CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000369530088 556622181 /nfs/dbraw/zinc/62/21/81/556622181.db2.gz GFRSGFWFKYMIGG-IEBWSBKVSA-N 0 3 368.481 2.015 20 30 FEEDHN C#CCCN1CCC(NC(=O)C2CCN(c3ccc(C)cn3)CC2)CC1 ZINC000369756466 556686194 /nfs/dbraw/zinc/68/61/94/556686194.db2.gz GENSJALROCKHBA-UHFFFAOYSA-N 0 3 354.498 2.210 20 30 FEEDHN Cc1cc(CN2CCC(N(C)CC(=O)Nc3cccc(C#N)c3)CC2)on1 ZINC000369907033 556726949 /nfs/dbraw/zinc/72/69/49/556726949.db2.gz UWSIANDLKKQVKN-UHFFFAOYSA-N 0 3 367.453 2.390 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000369994801 556751997 /nfs/dbraw/zinc/75/19/97/556751997.db2.gz IXNLIRLMFHBKBZ-IBGZPJMESA-N 0 3 353.510 2.455 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000516514639 562045606 /nfs/dbraw/zinc/04/56/06/562045606.db2.gz CEXHMYAGACHDMY-PMPSAXMXSA-N 0 3 351.495 2.107 20 30 FEEDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc(C#Cc2ccccc2)cc1 ZINC000516784711 562058032 /nfs/dbraw/zinc/05/80/32/562058032.db2.gz VZNVRBGNFAKIDR-QHCPKHFHSA-N 0 3 360.457 2.273 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccnc(-n3ccnc3)c2)cc1 ZINC000370482736 556885736 /nfs/dbraw/zinc/88/57/36/556885736.db2.gz CKPAEFQGCMHHSW-SFHVURJKSA-N 0 3 356.389 2.138 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370521882 556898439 /nfs/dbraw/zinc/89/84/39/556898439.db2.gz IWOXKVPUPOLJMA-MAUKXSAKSA-N 0 3 350.422 2.377 20 30 FEEDHN COc1ccnc(N2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1 ZINC000371421262 557181673 /nfs/dbraw/zinc/18/16/73/557181673.db2.gz PIQWOGPNFDXSER-INIZCTEOSA-N 0 3 367.453 2.488 20 30 FEEDHN C=C(C)[C@H](CC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)OCC ZINC000371783287 557292400 /nfs/dbraw/zinc/29/24/00/557292400.db2.gz HNCJFWKIIGFJEI-SFHVURJKSA-N 0 3 351.535 2.234 20 30 FEEDHN CSc1ccc(CCNCCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000518520333 562113569 /nfs/dbraw/zinc/11/35/69/562113569.db2.gz HYEOSEREXMXWSD-UHFFFAOYSA-N 0 3 361.492 2.281 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](NCc3ccccc3)C2)cc1 ZINC000372616910 557522266 /nfs/dbraw/zinc/52/22/66/557522266.db2.gz FUYBZUOGUVQDDQ-LJQANCHMSA-N 0 3 362.433 2.278 20 30 FEEDHN C[C@H]1CN(CCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CCCO1 ZINC000372894316 557583712 /nfs/dbraw/zinc/58/37/12/557583712.db2.gz ZCDPBVVPUTZLGX-LAUBAEHRSA-N 0 3 355.482 2.302 20 30 FEEDHN C#CCOc1ccc(F)cc1NC1CCN(CCN2CCOCC2)CC1 ZINC000373184494 557646307 /nfs/dbraw/zinc/64/63/07/557646307.db2.gz FAFIYZSVKNFNCS-UHFFFAOYSA-N 0 3 361.461 2.046 20 30 FEEDHN C=CCCCCCN1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000373292575 557666684 /nfs/dbraw/zinc/66/66/84/557666684.db2.gz JSIVBTKEUBMHGG-SFHVURJKSA-N 0 3 360.502 2.463 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3cccs3)C(=O)C2)cc1 ZINC000373403540 557687707 /nfs/dbraw/zinc/68/77/07/557687707.db2.gz OVPUYBTVXUAXCD-MRXNPFEDSA-N 0 3 364.430 2.177 20 30 FEEDHN N#Cc1cnccc1N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000373449062 557695978 /nfs/dbraw/zinc/69/59/78/557695978.db2.gz SNNRDLKYFVZBEY-GOSISDBHSA-N 0 3 362.481 2.387 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccc(C)n2)CC1 ZINC000520859995 562165300 /nfs/dbraw/zinc/16/53/00/562165300.db2.gz MLNKLLDBMZYPIH-IBGZPJMESA-N 0 3 370.497 2.210 20 30 FEEDHN C=CCN1CC[C@@H](N2CCC(c3c[nH]c4ccc(C(N)=O)cc43)CC2)C1=O ZINC000374172035 557836908 /nfs/dbraw/zinc/83/69/08/557836908.db2.gz KSPWFDIAFQHTTB-LJQANCHMSA-N 0 3 366.465 2.233 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000374307720 557863021 /nfs/dbraw/zinc/86/30/21/557863021.db2.gz IGHOHYZXQNQWOH-QZTJIDSGSA-N 0 3 365.433 2.160 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)ccc1C(F)(F)F ZINC000374462240 557887042 /nfs/dbraw/zinc/88/70/42/557887042.db2.gz LILXFXACRAZVDV-CYBMUJFWSA-N 0 3 373.400 2.436 20 30 FEEDHN C=CCN1CC[C@H](N[C@@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)C1=O ZINC000374845480 557940010 /nfs/dbraw/zinc/94/00/10/557940010.db2.gz WNSMRPARZLJESR-HSALFYBXSA-N 0 3 355.482 2.350 20 30 FEEDHN N#Cc1ccc(OCCCN2CCC(N3C(=O)CCCC3=O)CC2)cc1 ZINC000375329650 558010065 /nfs/dbraw/zinc/01/00/65/558010065.db2.gz UYCCKNRAXORQPW-UHFFFAOYSA-N 0 3 355.438 2.331 20 30 FEEDHN CN1CCC[C@H](N2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)C1 ZINC000375757643 558078224 /nfs/dbraw/zinc/07/82/24/558078224.db2.gz MCJRQVMFKGMJFO-IBGZPJMESA-N 0 3 372.488 2.213 20 30 FEEDHN CCCN1CCN(C2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000376223535 558144008 /nfs/dbraw/zinc/14/40/08/558144008.db2.gz XLEZLBWYXPONNZ-UHFFFAOYSA-N 0 3 372.473 2.045 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOCC3(CC3)C2)cc1 ZINC000376584391 558194087 /nfs/dbraw/zinc/19/40/87/558194087.db2.gz ORQDTXXIQGYEJN-ZDUSSCGKSA-N 0 3 363.439 2.017 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]3OCC[C@H]32)cc1 ZINC000376626426 558199765 /nfs/dbraw/zinc/19/97/65/558199765.db2.gz GUOOLIGKXCSZPD-APHBMKBZSA-N 0 3 363.439 2.158 20 30 FEEDHN CC1CCN(CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000376756471 558217703 /nfs/dbraw/zinc/21/77/03/558217703.db2.gz ZOTPPJKBZVBTHK-UHFFFAOYSA-N 0 3 355.486 2.380 20 30 FEEDHN CN(C(=O)[C@@H]1CC12CCN(C[C@H](O)c1ccc(C#N)cc1)CC2)C1CC1 ZINC000377184629 558283731 /nfs/dbraw/zinc/28/37/31/558283731.db2.gz NDPSPYZRQWJLCK-OALUTQOASA-N 0 3 353.466 2.315 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000377472991 558346976 /nfs/dbraw/zinc/34/69/76/558346976.db2.gz PZWIBOOHIXICIC-AZGCOUAMSA-N 0 3 372.465 2.253 20 30 FEEDHN N#Cc1cccnc1-n1cc(NC(=O)C2C[C@H](c3ccccc3)OC2=O)cn1 ZINC000377853539 558435455 /nfs/dbraw/zinc/43/54/55/558435455.db2.gz AJHASVFWOBXINT-IAGOWNOFSA-N 0 3 373.372 2.382 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](NC(=O)CC)C1)C(C)C ZINC000522802715 562203951 /nfs/dbraw/zinc/20/39/51/562203951.db2.gz DHAULMSDCPSZMW-QZTJIDSGSA-N 0 3 364.534 2.385 20 30 FEEDHN C=CCN(C(=O)c1cc2n(n1)CCO2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000377957484 558452177 /nfs/dbraw/zinc/45/21/77/558452177.db2.gz GLCDINWOUYQMKG-QGZVFWFLSA-N 0 3 352.438 2.178 20 30 FEEDHN CC(C#N)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000522984187 562206995 /nfs/dbraw/zinc/20/69/95/562206995.db2.gz ITPRHTHQROKAFG-QWRGUYRKSA-N 0 3 365.231 2.181 20 30 FEEDHN CCc1nc(CN2C[C@@H]3CN(Cc4cc(C#N)ccc4OC)C[C@H]3C2)no1 ZINC000378216946 558504550 /nfs/dbraw/zinc/50/45/50/558504550.db2.gz KYUTVKITCYYBRB-IRXDYDNUSA-N 0 3 367.453 2.076 20 30 FEEDHN Cc1cc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)n(CCC#N)n1 ZINC000523340558 562211565 /nfs/dbraw/zinc/21/15/65/562211565.db2.gz JSQNHMNSSJQNRZ-KRWDZBQOSA-N 0 3 352.442 2.351 20 30 FEEDHN C[C@H]1C[C@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000523573342 562215545 /nfs/dbraw/zinc/21/55/45/562215545.db2.gz UXSXMYYUCPBIOR-KBPBESRZSA-N 0 3 353.463 2.344 20 30 FEEDHN CN(C)C(=O)CCN1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000523754680 562219256 /nfs/dbraw/zinc/21/92/56/562219256.db2.gz ROAXJOZELXVYJB-UHFFFAOYSA-N 0 3 369.391 2.327 20 30 FEEDHN Cc1ncc(S(=O)(=O)NCCCN(C)Cc2ccccc2)cc1C#N ZINC000386145129 558607008 /nfs/dbraw/zinc/60/70/08/558607008.db2.gz OEJJMKIYAXCDFB-UHFFFAOYSA-N 0 3 358.467 2.062 20 30 FEEDHN N#Cc1cnc(NCC2(O)CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000397635513 558624952 /nfs/dbraw/zinc/62/49/52/558624952.db2.gz PPYRADBZFCPDMD-UHFFFAOYSA-N 0 3 367.409 2.300 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000409509287 558698952 /nfs/dbraw/zinc/69/89/52/558698952.db2.gz IWJLGHWJVVRWFV-GOSISDBHSA-N 0 3 366.531 2.213 20 30 FEEDHN CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000409841660 558722313 /nfs/dbraw/zinc/72/23/13/558722313.db2.gz XGQYPUOUWUMMJB-BQFCYCMXSA-N 0 3 366.469 2.395 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000410870913 558818319 /nfs/dbraw/zinc/81/83/19/558818319.db2.gz JKAIKESLVJPDCM-IBGZPJMESA-N 0 3 357.498 2.392 20 30 FEEDHN C=CC1CCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CC1 ZINC000411216610 558854669 /nfs/dbraw/zinc/85/46/69/558854669.db2.gz JVNKPYWZZRCYQB-UHFFFAOYSA-N 0 3 363.433 2.129 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F)CC1 ZINC000411229120 558856698 /nfs/dbraw/zinc/85/66/98/558856698.db2.gz PVLQWBBSWSPHKV-OCCSQVGLSA-N 0 3 363.424 2.236 20 30 FEEDHN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000411480549 558901769 /nfs/dbraw/zinc/90/17/69/558901769.db2.gz WCNBCCUNESJAOR-HNNXBMFYSA-N 0 3 363.433 2.272 20 30 FEEDHN C[C@@H](c1ccccc1)[C@H](NCCC(=O)Nc1cccc(C#N)c1)C(N)=O ZINC000411754628 558957004 /nfs/dbraw/zinc/95/70/04/558957004.db2.gz HNDGWBMKJRHOHR-LIRRHRJNSA-N 0 3 350.422 2.134 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](CO)[C@H]2CCCOC2)c1 ZINC000411996667 559000718 /nfs/dbraw/zinc/00/07/18/559000718.db2.gz SLODUWGFYQFBDT-BJLQDIEVSA-N 0 3 373.497 2.316 20 30 FEEDHN C[C@H]1CN(c2cc(C(F)(F)F)cnc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000413217142 559089180 /nfs/dbraw/zinc/08/91/80/559089180.db2.gz XQJYCUKJRREUTA-BBRMVZONSA-N 0 3 367.419 2.434 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000413943879 559142202 /nfs/dbraw/zinc/14/22/02/559142202.db2.gz IYZJKLNFMXCBJY-SLFFLAALSA-N 0 3 361.445 2.486 20 30 FEEDHN N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000415010464 559200377 /nfs/dbraw/zinc/20/03/77/559200377.db2.gz PFNOYYQEKHJCRW-KRWDZBQOSA-N 0 3 352.394 2.460 20 30 FEEDHN CN1CCC[C@H](CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000527103176 562276546 /nfs/dbraw/zinc/27/65/46/562276546.db2.gz PUEROWNKTLIDSB-FAEJEUNOSA-N 0 3 371.485 2.284 20 30 FEEDHN N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CNCCO3)cc2)c1 ZINC000415167950 559211138 /nfs/dbraw/zinc/21/11/38/559211138.db2.gz ULAGFVFHEYGEKQ-GOSISDBHSA-N 0 3 352.394 2.460 20 30 FEEDHN CNCc1cccc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000415174196 559211866 /nfs/dbraw/zinc/21/18/66/559211866.db2.gz CGHZBHQKJBSWIJ-UHFFFAOYSA-N 0 3 362.433 2.407 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000415420482 559233807 /nfs/dbraw/zinc/23/38/07/559233807.db2.gz AOMQNTWLGUTLIG-OAHLLOKOSA-N 0 3 359.474 2.077 20 30 FEEDHN CN(C)CCN1CCC(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419402594 559440729 /nfs/dbraw/zinc/44/07/29/559440729.db2.gz CHUWWTBHCOZBMN-HXUWFJFHSA-N 0 3 369.513 2.261 20 30 FEEDHN CN1CCN(CCCNC(=O)NCC2(C#N)CCC2)[C@@H](c2ccccc2)C1 ZINC000419417605 559441264 /nfs/dbraw/zinc/44/12/64/559441264.db2.gz HWPPCAQSFARGTF-LJQANCHMSA-N 0 3 369.513 2.358 20 30 FEEDHN N#CCC[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CNC2)c1ccccc1 ZINC000419477223 559444412 /nfs/dbraw/zinc/44/44/12/559444412.db2.gz REEVPNUAQKLNMZ-IBGZPJMESA-N 0 3 362.433 2.067 20 30 FEEDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000420447285 559487780 /nfs/dbraw/zinc/48/77/80/559487780.db2.gz IMLFTYXYEDYLQZ-SNVBAGLBSA-N 0 3 360.277 2.117 20 30 FEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1F ZINC000421358426 559540129 /nfs/dbraw/zinc/54/01/29/559540129.db2.gz SXSUEYMQNFWJKF-QGZVFWFLSA-N 0 3 353.397 2.467 20 30 FEEDHN CC(C)(CC#N)CNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000422493324 559591974 /nfs/dbraw/zinc/59/19/74/559591974.db2.gz YCKONNBFVWMXAS-UHFFFAOYSA-N 0 3 362.518 2.157 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000422524874 559592758 /nfs/dbraw/zinc/59/27/58/559592758.db2.gz HCFLZNKABZXGHO-LJQANCHMSA-N 0 3 357.498 2.090 20 30 FEEDHN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H](N)CCCC#N)CC2)cc1F ZINC000424087850 559654386 /nfs/dbraw/zinc/65/43/86/559654386.db2.gz GCYLPVQUCIEEMF-SFHVURJKSA-N 0 3 374.460 2.010 20 30 FEEDHN COc1cccc(OC)c1OC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424090501 559654511 /nfs/dbraw/zinc/65/45/11/559654511.db2.gz KMVMPVAQBBOBRG-HNNXBMFYSA-N 0 3 361.442 2.095 20 30 FEEDHN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@H](N)CCCC#N)O[C@@H](C)C2 ZINC000424135192 559655771 /nfs/dbraw/zinc/65/57/71/559655771.db2.gz JANBBYMSYYGDGF-SDNTUTLCSA-N 0 3 357.454 2.402 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000424139827 559655901 /nfs/dbraw/zinc/65/59/01/559655901.db2.gz FNVDNYFRZSLODN-CXAGYDPISA-N 0 3 350.413 2.067 20 30 FEEDHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H](N)CCCC#N)C1 ZINC000424151048 559656190 /nfs/dbraw/zinc/65/61/90/559656190.db2.gz GZODLJXHRDPETK-ZIAGYGMSSA-N 0 3 350.850 2.065 20 30 FEEDHN COCCOc1ccc(Br)cc1NC(=O)[C@H](N)CCCC#N ZINC000424169788 559656702 /nfs/dbraw/zinc/65/67/02/559656702.db2.gz ANJWBTMMUYFTOB-GFCCVEGCSA-N 0 3 370.247 2.434 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H](c2ccsc2)N(CC)CC)nn1 ZINC000425404535 559700363 /nfs/dbraw/zinc/70/03/63/559700363.db2.gz LUHAJKKCDZHNBP-MRXNPFEDSA-N 0 3 362.503 2.408 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)nn1 ZINC000425514742 559707272 /nfs/dbraw/zinc/70/72/72/559707272.db2.gz VHGKTHKDAISVFC-FQEVSTJZSA-N 0 3 368.485 2.318 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](n2ccnn2)C1)C(C)C ZINC000425659884 559713606 /nfs/dbraw/zinc/71/36/06/559713606.db2.gz WQPSJCICSQWQJB-ROUUACIJSA-N 0 3 360.506 2.323 20 30 FEEDHN C=CCn1cc(CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)nn1 ZINC000425676439 559714410 /nfs/dbraw/zinc/71/44/10/559714410.db2.gz SFOJXCGPBHHEOK-HNNXBMFYSA-N 0 3 356.474 2.393 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425889709 559724074 /nfs/dbraw/zinc/72/40/74/559724074.db2.gz VHYYWUAXRSXDKM-MAUKXSAKSA-N 0 3 356.470 2.068 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425889711 559724078 /nfs/dbraw/zinc/72/40/78/559724078.db2.gz VHYYWUAXRSXDKM-QAPCUYQASA-N 0 3 356.470 2.068 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000425910556 559725061 /nfs/dbraw/zinc/72/50/61/559725061.db2.gz WNSIXIJMVVPWFB-MAUKXSAKSA-N 0 3 370.497 2.314 20 30 FEEDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000426884144 559743685 /nfs/dbraw/zinc/74/36/85/559743685.db2.gz SAYZIUWXHRFBMC-GOSISDBHSA-N 0 3 353.422 2.041 20 30 FEEDHN N#CCC1(CNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000430181600 559814995 /nfs/dbraw/zinc/81/49/95/559814995.db2.gz UOAHFVONJDFRAB-UHFFFAOYSA-N 0 3 369.513 2.187 20 30 FEEDHN CN(CCC#N)C(=O)CCN(CCc1ccccn1)Cc1cccnc1 ZINC000430339245 559818006 /nfs/dbraw/zinc/81/80/06/559818006.db2.gz CVSVIFQQYZTVIH-UHFFFAOYSA-N 0 3 351.454 2.283 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC(=O)NC)c2ccccc2)CC1 ZINC000430572471 559823218 /nfs/dbraw/zinc/82/32/18/559823218.db2.gz OKOZOMPFCJQQJF-GOSISDBHSA-N 0 3 358.486 2.204 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN(CCO)[C@H]1CCCSC1 ZINC000433191033 559872874 /nfs/dbraw/zinc/87/28/74/559872874.db2.gz TXUMTWXCETWQAQ-ZWKOTPCHSA-N 0 3 351.512 2.345 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(C(=O)c2cccnc2)CC1 ZINC000433384946 559879453 /nfs/dbraw/zinc/87/94/53/559879453.db2.gz LLWYTGAZRKKDRI-GOSISDBHSA-N 0 3 362.433 2.139 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000442144988 560044811 /nfs/dbraw/zinc/04/48/11/560044811.db2.gz YWDXKCHEMUHMTB-RBSFLKMASA-N 0 3 374.510 2.476 20 30 FEEDHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000444621437 560116905 /nfs/dbraw/zinc/11/69/05/560116905.db2.gz ZYUOZBJFEJKYNZ-UHFFFAOYSA-N 0 3 362.861 2.388 20 30 FEEDHN CC(C)(C)[C@H](CO)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444702190 560118653 /nfs/dbraw/zinc/11/86/53/560118653.db2.gz XLONTJLOGQLLCB-HNNXBMFYSA-N 0 3 356.388 2.170 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000448905676 560205767 /nfs/dbraw/zinc/20/57/67/560205767.db2.gz ABWZQNIDVHXXLU-ZDUSSCGKSA-N 0 3 366.259 2.161 20 30 FEEDHN COC(=O)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCOCC1 ZINC000448936647 560207732 /nfs/dbraw/zinc/20/77/32/560207732.db2.gz NFYZXGRFSHVSJB-ROUUACIJSA-N 0 3 358.438 2.091 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3cc(C#N)cs3)C2)CC1 ZINC000449508295 560232154 /nfs/dbraw/zinc/23/21/54/560232154.db2.gz UYFJMFSAUPIJOW-KRWDZBQOSA-N 0 3 360.527 2.386 20 30 FEEDHN N#Cc1c(Br)cccc1OCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000449831510 560241729 /nfs/dbraw/zinc/24/17/29/560241729.db2.gz WLWXAZOXEUCHJP-GFCCVEGCSA-N 0 3 364.243 2.006 20 30 FEEDHN CN(CCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)Cc1ccccc1 ZINC000450611919 560267968 /nfs/dbraw/zinc/26/79/68/560267968.db2.gz JMCHPDGGDHKCGZ-XMSQKQJNSA-N 0 3 360.461 2.464 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451996014 560343766 /nfs/dbraw/zinc/34/37/66/560343766.db2.gz PBYPZIIMWGKZII-QXAKKESOSA-N 0 3 356.466 2.464 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452027872 560346383 /nfs/dbraw/zinc/34/63/83/560346383.db2.gz XOOXQLIFLDZRPA-VNQPRFMTSA-N 0 3 355.404 2.297 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453455663 560387146 /nfs/dbraw/zinc/38/71/46/560387146.db2.gz XQBSLVJNYYCZHC-HOTGVXAUSA-N 0 3 351.495 2.107 20 30 FEEDHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453647260 560393207 /nfs/dbraw/zinc/39/32/07/560393207.db2.gz RJFHMPKFTBIROH-SFHVURJKSA-N 0 3 356.470 2.462 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1 ZINC000453664539 560394611 /nfs/dbraw/zinc/39/46/11/560394611.db2.gz GVKFBEXCYMXDIF-MSOLQXFVSA-N 0 3 354.454 2.279 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCCC1(C)C ZINC000454071462 560426729 /nfs/dbraw/zinc/42/67/29/560426729.db2.gz RJTLUECYDNJPNY-UHFFFAOYSA-N 0 3 372.469 2.275 20 30 FEEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000454711154 560455305 /nfs/dbraw/zinc/45/53/05/560455305.db2.gz JCXSDVCFNFUSOG-CYBMUJFWSA-N 0 3 368.384 2.128 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000455841546 560497160 /nfs/dbraw/zinc/49/71/60/560497160.db2.gz OJCUBVFMGFAGEN-UHFFFAOYSA-N 0 3 369.462 2.391 20 30 FEEDHN CC#CCN(C)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000459050539 560664074 /nfs/dbraw/zinc/66/40/74/560664074.db2.gz QWFROLVEEIMQKC-UHFFFAOYSA-N 0 3 356.470 2.274 20 30 FEEDHN C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000460573209 560746471 /nfs/dbraw/zinc/74/64/71/560746471.db2.gz KRUPHCBVWYVHHT-GOSISDBHSA-N 0 3 358.534 2.023 20 30 FEEDHN Cc1nsc(N2CCN(C(=O)[C@H](C)N3[C@@H](C)CC[C@@H]3C)CC2)c1C#N ZINC000461202328 560763923 /nfs/dbraw/zinc/76/39/23/560763923.db2.gz ZMJSMXDPLCJHAQ-YDHLFZDLSA-N 0 3 361.515 2.233 20 30 FEEDHN C[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CCC[C@@H](C)C1 ZINC000462128994 560798323 /nfs/dbraw/zinc/79/83/23/560798323.db2.gz OTQJGUCLYYIDAF-CVEARBPZSA-N 0 3 356.470 2.451 20 30 FEEDHN CN(C)[C@@H](CNC(=O)NCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000465429274 560865134 /nfs/dbraw/zinc/86/51/34/560865134.db2.gz FRXPOYXNLNXWMW-LJQANCHMSA-N 0 3 366.465 2.409 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1C ZINC000465874270 560874695 /nfs/dbraw/zinc/87/46/95/560874695.db2.gz MNYQLFGNTALBDH-DJIMGWMZSA-N 0 3 373.476 2.448 20 30 FEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468852260 560940493 /nfs/dbraw/zinc/94/04/93/560940493.db2.gz FCPVZEZGHMVXHV-KRWDZBQOSA-N 0 3 368.437 2.396 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1 ZINC000470831720 560991012 /nfs/dbraw/zinc/99/10/12/560991012.db2.gz MOAYFLIDFCKCSO-BEFAXECRSA-N 0 3 360.417 2.062 20 30 FEEDHN Cc1cccc(C(=O)NCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470835506 560991031 /nfs/dbraw/zinc/99/10/31/560991031.db2.gz ZHSIIEGFWDVSOV-LJQANCHMSA-N 0 3 360.417 2.095 20 30 FEEDHN COCCN(C)CC[C@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000475669947 561101907 /nfs/dbraw/zinc/10/19/07/561101907.db2.gz TUHNRFWDZKKUQN-IBGZPJMESA-N 0 3 352.438 2.393 20 30 FEEDHN CN(C)C(=O)CCN1CCC(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000475756267 561104582 /nfs/dbraw/zinc/10/45/82/561104582.db2.gz OYTUNVLOUIPBGG-UHFFFAOYSA-N 0 3 370.497 2.160 20 30 FEEDHN C[C@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2C#N)CCN1Cc1ccccc1 ZINC000476083185 561111051 /nfs/dbraw/zinc/11/10/51/561111051.db2.gz BEFROPUIJSXZGJ-RDJZCZTQSA-N 0 3 351.454 2.417 20 30 FEEDHN CCCCN(C)C(=O)C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528352960 562324353 /nfs/dbraw/zinc/32/43/53/562324353.db2.gz GWZJJNVKFAMLQK-LJQANCHMSA-N 0 3 373.497 2.268 20 30 FEEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528358230 562324788 /nfs/dbraw/zinc/32/47/88/562324788.db2.gz KJAORAGAKRYMLY-QRQLOZEOSA-N 0 3 373.497 2.315 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000528399548 562326927 /nfs/dbraw/zinc/32/69/27/562326927.db2.gz WQVNURGYUATFEN-AZUAARDMSA-N 0 3 374.481 2.348 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(Nc2ccccn2)CC1 ZINC000528427780 562328737 /nfs/dbraw/zinc/32/87/37/562328737.db2.gz KWYXISHGODYMLH-GOSISDBHSA-N 0 3 352.438 2.269 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1OC ZINC000528921098 562352967 /nfs/dbraw/zinc/35/29/67/562352967.db2.gz SNMMTMVTIIYLPF-XTASOONQSA-N 0 3 360.410 2.411 20 30 FEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(CCCOC)c1 ZINC000528919968 562353018 /nfs/dbraw/zinc/35/30/18/562353018.db2.gz NWOGXAXBMLJBLF-HNNXBMFYSA-N 0 3 370.409 2.279 20 30 FEEDHN C=CC[C@H](CO)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000529025485 562357119 /nfs/dbraw/zinc/35/71/19/562357119.db2.gz KFSBLQWZIKDINN-KZNAEPCWSA-N 0 3 371.506 2.412 20 30 FEEDHN COCc1ccc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)cc1C#N ZINC000529816835 562386573 /nfs/dbraw/zinc/38/65/73/562386573.db2.gz QECZCKKLHPUPCX-OAQYLSRUSA-N 0 3 365.433 2.280 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCN(c2ccccc2F)C1 ZINC000530233352 562403329 /nfs/dbraw/zinc/40/33/29/562403329.db2.gz IBOGZTQSZULVHJ-IRXDYDNUSA-N 0 3 355.413 2.306 20 30 FEEDHN CN1CCN(c2cc[nH+]cc2[N-]C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000530787160 562424019 /nfs/dbraw/zinc/42/40/19/562424019.db2.gz OUFOQUBVJPPHEE-UHFFFAOYSA-N 0 3 357.364 2.236 20 30 FEEDHN CN1CCN(c2ccncc2NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000530787160 562424020 /nfs/dbraw/zinc/42/40/20/562424020.db2.gz OUFOQUBVJPPHEE-UHFFFAOYSA-N 0 3 357.364 2.236 20 30 FEEDHN N#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)s1 ZINC000536434016 562575374 /nfs/dbraw/zinc/57/53/74/562575374.db2.gz UNPPWLCGCGNVIW-RDJZCZTQSA-N 0 3 355.463 2.233 20 30 FEEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCOC1 ZINC000541648301 562617175 /nfs/dbraw/zinc/61/71/75/562617175.db2.gz KAKKNJDJJZKBNC-LSDHHAIUSA-N 0 3 353.426 2.087 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330268707 568052229 /nfs/dbraw/zinc/05/22/29/568052229.db2.gz RIGFQBSONVZAAD-HOTGVXAUSA-N 0 3 351.491 2.187 20 30 FEEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000603842983 568155379 /nfs/dbraw/zinc/15/53/79/568155379.db2.gz VWYHPYQKLQWPHT-QZTJIDSGSA-N 0 3 352.438 2.162 20 30 FEEDHN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000604017822 568199398 /nfs/dbraw/zinc/19/93/98/568199398.db2.gz HQKWSLDINZVQJN-UHFFFAOYSA-N 0 3 363.405 2.443 20 30 FEEDHN COc1cccc([C@@H](CNCc2cnc3c(C#N)cnn3c2)N(C)C)c1 ZINC000569945503 568444033 /nfs/dbraw/zinc/44/40/33/568444033.db2.gz QROGCGHVKNJVHT-GOSISDBHSA-N 0 3 350.426 2.002 20 30 FEEDHN C#CCN1CCC(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)CC1 ZINC000817488736 675137994 /nfs/dbraw/zinc/13/79/94/675137994.db2.gz RLYBWJWGOSWUCO-UHFFFAOYSA-N 0 3 351.491 2.141 20 30 FEEDHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000817714170 675164266 /nfs/dbraw/zinc/16/42/66/675164266.db2.gz MDEVYJFLEQMIOU-MNOVXSKESA-N 0 3 367.427 2.084 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3ccc(F)cc3)CC2)nc1 ZINC000574866677 671282415 /nfs/dbraw/zinc/28/24/15/671282415.db2.gz XRLKFUIBHHJZPX-UHFFFAOYSA-N 0 3 359.426 2.187 20 30 FEEDHN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000577844762 671623975 /nfs/dbraw/zinc/62/39/75/671623975.db2.gz AXTPTMDCKWMOJT-INIZCTEOSA-N 0 3 361.511 2.389 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)CC1 ZINC000581119729 671865588 /nfs/dbraw/zinc/86/55/88/671865588.db2.gz ABVJQSBGNLEUQI-UHFFFAOYSA-N 0 3 362.495 2.393 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000119919068 671912629 /nfs/dbraw/zinc/91/26/29/671912629.db2.gz IYIOQSYWGZNHGE-WFASDCNBSA-N 0 3 352.431 2.415 20 30 FEEDHN N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000121757725 671956840 /nfs/dbraw/zinc/95/68/40/671956840.db2.gz CIVPJVXMBNQXKD-CXAGYDPISA-N 0 3 363.458 2.335 20 30 FEEDHN CN(C)CCN(Cc1cccs1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000122337127 671965236 /nfs/dbraw/zinc/96/52/36/671965236.db2.gz ZWRHFOAGQUPLEY-UHFFFAOYSA-N 0 3 356.447 2.419 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000159401740 672281568 /nfs/dbraw/zinc/28/15/68/672281568.db2.gz SZUUXCQXECHQKD-DOTOQJQBSA-N 0 3 365.499 2.271 20 30 FEEDHN N#Cc1cc(Cl)c(C(=O)NC[C@H]2CCCN2CCCO)c(Cl)c1 ZINC000590774136 672615921 /nfs/dbraw/zinc/61/59/21/672615921.db2.gz WHFNZARAEAIGML-GFCCVEGCSA-N 0 3 356.253 2.442 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@H]1CCOc2ccc(Br)cc21 ZINC000591240861 672660825 /nfs/dbraw/zinc/66/08/25/672660825.db2.gz SDAJWHJMZZDDOW-HIFRSBDPSA-N 0 3 368.275 2.069 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000191268478 672662545 /nfs/dbraw/zinc/66/25/45/672662545.db2.gz LISFSBXJTNZVBP-MRXNPFEDSA-N 0 3 354.372 2.284 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000193425273 672724720 /nfs/dbraw/zinc/72/47/20/672724720.db2.gz BXXXOWXGJTWCPP-KOLCDFICSA-N 0 3 359.209 2.232 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)Cc2csc(C)n2)cc1 ZINC000193749948 672735159 /nfs/dbraw/zinc/73/51/59/672735159.db2.gz SNGJQEFEEGHLTQ-INIZCTEOSA-N 0 3 357.435 2.070 20 30 FEEDHN N#CC[C@@]1(O)CCN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000592146839 672764182 /nfs/dbraw/zinc/76/41/82/672764182.db2.gz KVEKQMIPSDMWBV-OAHLLOKOSA-N 0 3 352.232 2.128 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2nnc(Cc3ccccc3)s2)CC1 ZINC000592524147 672810592 /nfs/dbraw/zinc/81/05/92/672810592.db2.gz IDDFGERQVURVMD-UHFFFAOYSA-N 0 3 357.483 2.901 20 30 FEEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCS[C@H]2COCC[C@H]21 ZINC000246915579 672844061 /nfs/dbraw/zinc/84/40/61/672844061.db2.gz MTVJVEMVRVQEKT-SJORKVTESA-N 0 3 355.467 2.289 20 30 FEEDHN O=C(NCCNCc1ccc(Br)cc1)C1N=CC=CC1=O ZINC000255405495 672890582 /nfs/dbraw/zinc/89/05/82/672890582.db2.gz GICKFHJWQVLMKK-CCEZHUSRSA-N 0 3 350.216 2.065 20 30 FEEDHN CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1C ZINC000594429567 673070937 /nfs/dbraw/zinc/07/09/37/673070937.db2.gz UGZOZCXCIUKWNE-AWEZNQCLSA-N 0 3 352.460 2.106 20 30 FEEDHN COC(=O)[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)c(F)c1 ZINC000594443188 673072220 /nfs/dbraw/zinc/07/22/20/673072220.db2.gz NOULRQZQKDBRFJ-ZIAGYGMSSA-N 0 3 355.797 2.221 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NCCNc1cccc(Br)c1 ZINC000594443564 673072615 /nfs/dbraw/zinc/07/26/15/673072615.db2.gz RMZGDMKCUFJLHZ-CQSZACIVSA-N 0 3 353.264 2.388 20 30 FEEDHN CN1CCC(NC(=S)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000728790576 673211778 /nfs/dbraw/zinc/21/17/78/673211778.db2.gz DAHFPYIPYJDTCC-UHFFFAOYSA-N 0 3 358.511 2.370 20 30 FEEDHN N#Cc1ccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1Cl ZINC000595601172 673272338 /nfs/dbraw/zinc/27/23/38/673272338.db2.gz NYCUBQPDIMLMRE-MRXNPFEDSA-N 0 3 362.861 2.264 20 30 FEEDHN Cn1cc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c(=O)[nH]c1=O ZINC000613407097 676127679 /nfs/dbraw/zinc/12/76/79/676127679.db2.gz IUTKSPSPHZGIRX-MRVPVSSYSA-N 0 3 360.782 2.239 20 30 FEEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000596067787 673355490 /nfs/dbraw/zinc/35/54/90/673355490.db2.gz AMINNPKVGYPXSM-KXBFYZLASA-N 0 3 358.463 2.086 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCCN(C)C1=O ZINC000539805253 673507290 /nfs/dbraw/zinc/50/72/90/673507290.db2.gz WMHCCCDOJSBCPQ-OAHLLOKOSA-N 0 3 363.531 2.205 20 30 FEEDHN CC(C)(C)NS(=O)(=O)c1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598720757 673603127 /nfs/dbraw/zinc/60/31/27/673603127.db2.gz QMSZAVDZKQUWCZ-OAHLLOKOSA-N 0 3 367.515 2.154 20 30 FEEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000598722973 673603505 /nfs/dbraw/zinc/60/35/05/673603505.db2.gz FELOYHHDQPIUOO-WFASDCNBSA-N 0 3 353.825 2.475 20 30 FEEDHN CC(C)(C)OC(=O)C1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599281870 673653165 /nfs/dbraw/zinc/65/31/65/673653165.db2.gz WUJYLYRCAPKLLL-INIZCTEOSA-N 0 3 352.475 2.111 20 30 FEEDHN N#CC1(C[C@H](O)CN[C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000599425419 673674423 /nfs/dbraw/zinc/67/44/23/673674423.db2.gz GKTXOACFVZQANW-FZMZJTMJSA-N 0 3 357.223 2.266 20 30 FEEDHN CC(C)(C)OC(=O)CSCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000741429169 673686380 /nfs/dbraw/zinc/68/63/80/673686380.db2.gz COLLXSDFUDLSSQ-ZDUSSCGKSA-N 0 3 354.472 2.219 20 30 FEEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)c1cccs1 ZINC000603276569 673921082 /nfs/dbraw/zinc/92/10/82/673921082.db2.gz PSYFLSBYDMHHOG-HNNXBMFYSA-N 0 3 364.496 2.123 20 30 FEEDHN CC[S@](=O)[C@@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000566791632 675243160 /nfs/dbraw/zinc/24/31/60/675243160.db2.gz CRRRDKGEAVIKHP-PXAQALGRSA-N 0 3 368.524 2.001 20 30 FEEDHN COc1ccc([C@@H]2C[C@H]2NCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000819278342 675277026 /nfs/dbraw/zinc/27/70/26/675277026.db2.gz SZGJMXVISGATPF-RBUKOAKNSA-N 0 3 356.447 2.486 20 30 FEEDHN CN(CCC#N)C[C@H](O)CNC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000567680236 675311939 /nfs/dbraw/zinc/31/19/39/675311939.db2.gz UGDWSPQSWAVDDR-VQIMIIECSA-N 0 3 364.921 2.273 20 30 FEEDHN C#C[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1ccc(Cl)cc1F ZINC000820750083 675384923 /nfs/dbraw/zinc/38/49/23/675384923.db2.gz KEDHLQGRHAPUCV-WMLDXEAASA-N 0 3 367.852 2.299 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000827114087 675730293 /nfs/dbraw/zinc/73/02/93/675730293.db2.gz DRGJICBLOSEHTO-UHFFFAOYSA-N 0 3 351.491 2.095 20 30 FEEDHN C#CCN(C1CCCC1)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000830844741 677064642 /nfs/dbraw/zinc/06/46/42/677064642.db2.gz HBFXDOFTFDYURP-LBPRGKRZSA-N 0 3 355.378 2.078 20 30 FEEDHN [NH3+]C[C@@H]([N-]C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000655914081 677672267 /nfs/dbraw/zinc/67/22/67/677672267.db2.gz CJGGYOGUCTUYSC-RXMQYKEDSA-N 0 3 361.208 2.402 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656360472 677749263 /nfs/dbraw/zinc/74/92/63/677749263.db2.gz UAIINQKRRIANLM-DLBZAZTESA-N 0 3 361.511 2.396 20 30 FEEDHN CCOCCCN1CCC(=NNS(=O)(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000764721689 680819552 /nfs/dbraw/zinc/81/95/52/680819552.db2.gz QXTDQPXCDDSMGM-AWEZNQCLSA-N 0 3 371.478 2.228 20 30 FEEDHN C=C[C@](C)(O)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000668911198 679208273 /nfs/dbraw/zinc/20/82/73/679208273.db2.gz PUBSSMDHFXNKDW-SFHVURJKSA-N 0 3 352.862 2.236 20 30 FEEDHN CC(=O)NC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000747836811 679906758 /nfs/dbraw/zinc/90/67/58/679906758.db2.gz OBOMXWWMQSPDAA-AWEZNQCLSA-N 0 3 356.451 2.073 20 30 FEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001020171878 680102189 /nfs/dbraw/zinc/10/21/89/680102189.db2.gz AWXXOUYALYPKNR-ZQDZILKHSA-N 0 3 350.260 2.331 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000751518166 680184810 /nfs/dbraw/zinc/18/48/10/680184810.db2.gz ZSQKUELMDSXIMG-AWEZNQCLSA-N 0 3 358.467 2.254 20 30 FEEDHN Cc1nc(Cl)ccc1CC(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000835058189 680292244 /nfs/dbraw/zinc/29/22/44/680292244.db2.gz ZQVNURCOPBFPHN-CQSZACIVSA-N 0 3 351.834 2.226 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CCN(CCOC2CCC2)C1 ZINC001033495834 680424563 /nfs/dbraw/zinc/42/45/63/680424563.db2.gz BISWTKLSAMCISX-WDSOQIARSA-N 0 3 350.503 2.460 20 30 FEEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000755751918 680433365 /nfs/dbraw/zinc/43/33/65/680433365.db2.gz SDLWYSIUCJTSRL-DYEKYZERSA-N 0 3 351.447 2.303 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000836218542 680436591 /nfs/dbraw/zinc/43/65/91/680436591.db2.gz ZOUGYYCQHFTWNX-UHFFFAOYSA-N 0 3 355.385 2.051 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cc(OC)ccc1Br ZINC000836225579 680437963 /nfs/dbraw/zinc/43/79/63/680437963.db2.gz SJYDRKVHYAUDIG-UHFFFAOYSA-N 0 3 368.275 2.212 20 30 FEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000912311048 685351427 /nfs/dbraw/zinc/35/14/27/685351427.db2.gz DDOCTXMEHPJIJZ-MRXNPFEDSA-N 0 3 365.861 2.435 20 30 FEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000912311047 685351523 /nfs/dbraw/zinc/35/15/23/685351523.db2.gz DDOCTXMEHPJIJZ-INIZCTEOSA-N 0 3 365.861 2.435 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000836487640 680475792 /nfs/dbraw/zinc/47/57/92/680475792.db2.gz QHINNXBALBGLGR-UHFFFAOYSA-N 0 3 362.905 2.122 20 30 FEEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001004549363 680559888 /nfs/dbraw/zinc/55/98/88/680559888.db2.gz YHCZPTGUGNQUFK-IKGGRYGDSA-N 0 3 367.921 2.344 20 30 FEEDHN N#Cc1ccc(CNC[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1 ZINC001045126779 680622728 /nfs/dbraw/zinc/62/27/28/680622728.db2.gz CMWHCYFOQGEJOT-LTUQZUHASA-N 0 3 357.479 2.124 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cnc(Cl)s1 ZINC001045207643 680624802 /nfs/dbraw/zinc/62/48/02/680624802.db2.gz DIAVTLDFDYUGIN-YUTCNCBUSA-N 0 3 355.891 2.468 20 30 FEEDHN C[C@H](C[C@H](O)c1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000843090246 680987011 /nfs/dbraw/zinc/98/70/11/680987011.db2.gz VPBBKWQNGDYQDY-BEFAXECRSA-N 0 3 358.463 2.434 20 30 FEEDHN N#CC(C(=O)Cc1ccc2c(c1)OC(F)(F)O2)C(=O)NC1CCCC1 ZINC000845451511 681128753 /nfs/dbraw/zinc/12/87/53/681128753.db2.gz NYKMRURXQNFYRM-LBPRGKRZSA-N 0 3 350.321 2.318 20 30 FEEDHN N#Cc1cc(NC(=O)NC[C@@H]2CCN2C2CCOCC2)c(F)cc1F ZINC000932209956 681196893 /nfs/dbraw/zinc/19/68/93/681196893.db2.gz JOQHTNJLFKWBCI-ZDUSSCGKSA-N 0 3 350.369 2.211 20 30 FEEDHN C[C@@H](C#N)OCCN1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000932791291 681311503 /nfs/dbraw/zinc/31/15/03/681311503.db2.gz ATHYTKPQJRUDAW-AWEZNQCLSA-N 0 3 353.463 2.015 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933447887 681414638 /nfs/dbraw/zinc/41/46/38/681414638.db2.gz HHRPTKOYPAVZNN-KDOFPFPSSA-N 0 3 351.878 2.231 20 30 FEEDHN CC(C)N1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1=O ZINC000780373262 681819378 /nfs/dbraw/zinc/81/93/78/681819378.db2.gz WLOHKRHQEBCNBY-ZDUSSCGKSA-N 0 3 356.451 2.025 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(SC)ccc1Cl ZINC000850459967 681904610 /nfs/dbraw/zinc/90/46/10/681904610.db2.gz KZPWKVLTZFFLLH-UHFFFAOYSA-N 0 3 353.875 2.072 20 30 FEEDHN CCCCCCCC[C@H](C)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000850836708 681966481 /nfs/dbraw/zinc/96/64/81/681966481.db2.gz ROKGXTPLGVZFBD-HOTGVXAUSA-N 0 3 370.515 2.339 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000914267251 685501677 /nfs/dbraw/zinc/50/16/77/685501677.db2.gz HCDMMBQCSPRMCR-MJGOQNOKSA-N 0 3 361.511 2.421 20 30 FEEDHN C[C@H](CC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000850976390 681992362 /nfs/dbraw/zinc/99/23/62/681992362.db2.gz CQPKMRBFRWSVNS-ZUCKAHLUSA-N 0 3 350.365 2.495 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CCN(C(=O)OCC)CC1 ZINC000916875557 685528504 /nfs/dbraw/zinc/52/85/04/685528504.db2.gz CYDLFPUMWUYSEL-HNNXBMFYSA-N 0 3 351.447 2.260 20 30 FEEDHN COC(=O)N(C)CCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852570174 682301477 /nfs/dbraw/zinc/30/14/77/682301477.db2.gz OTQXKSZEHIJSID-GFCCVEGCSA-N 0 3 360.439 2.103 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CN(CC(C)C)CCO2 ZINC000972595202 682425191 /nfs/dbraw/zinc/42/51/91/682425191.db2.gz WHOBZYYWANTEAB-BJLQDIEVSA-N 0 3 350.503 2.317 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000926126068 683079603 /nfs/dbraw/zinc/07/96/03/683079603.db2.gz ORYQELMPJPPSMU-CQSZACIVSA-N 0 3 358.504 2.109 20 30 FEEDHN C[C@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000797097062 683222027 /nfs/dbraw/zinc/22/20/27/683222027.db2.gz UHFWMMIABPMMQQ-GOEBONIOSA-N 0 3 351.472 2.054 20 30 FEEDHN C#CCOc1ccc([C@@H](C)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797121467 683224237 /nfs/dbraw/zinc/22/42/37/683224237.db2.gz ZNXVCMKBDRAFFG-WBVHZDCISA-N 0 3 350.484 2.163 20 30 FEEDHN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000860472946 683248808 /nfs/dbraw/zinc/24/88/08/683248808.db2.gz GOMMMEJRSNMSFZ-ZIAGYGMSSA-N 0 3 351.447 2.303 20 30 FEEDHN CCN(CCCNCc1cc(C#N)ccc1Br)S(C)(=O)=O ZINC000921575502 683506692 /nfs/dbraw/zinc/50/66/92/683506692.db2.gz ROKUTHUDMQQHRI-UHFFFAOYSA-N 0 3 374.304 2.082 20 30 FEEDHN CN(C)S(=O)(=O)Cc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000922448321 683724089 /nfs/dbraw/zinc/72/40/89/683724089.db2.gz DTZXVMDRLVAJLF-UHFFFAOYSA-N 0 3 361.442 2.379 20 30 FEEDHN C#CCOc1cccc(Cl)c1CNCC1(O)CCC2(CC1)OCCO2 ZINC000922622655 683756573 /nfs/dbraw/zinc/75/65/73/683756573.db2.gz CEJWCGAZPXTSMU-UHFFFAOYSA-N 0 3 365.857 2.490 20 30 FEEDHN CN(C)c1ccc(C#N)cc1CNC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000865583834 684001008 /nfs/dbraw/zinc/00/10/08/684001008.db2.gz XFNIEBVIZHHMDL-MRXNPFEDSA-N 0 3 355.463 2.285 20 30 FEEDHN N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000866994071 684193163 /nfs/dbraw/zinc/19/31/63/684193163.db2.gz OCFLDBIUJSZOPU-RDTXWAMCSA-N 0 3 363.458 2.335 20 30 FEEDHN CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(CCCSCC#N)C2)C1 ZINC000931852283 684357000 /nfs/dbraw/zinc/35/70/00/684357000.db2.gz OJCINNVFFKXUOC-QGZVFWFLSA-N 0 3 355.504 2.345 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000868582119 684513732 /nfs/dbraw/zinc/51/37/32/684513732.db2.gz SKPFPVPWSYQIHQ-IYBDPMFKSA-N 0 3 351.491 2.141 20 30 FEEDHN COC(=O)[C@@H]1O[C@@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC000870379550 684713563 /nfs/dbraw/zinc/71/35/63/684713563.db2.gz XRRVAFKXNJRFQE-BUHSHPNESA-N 0 3 356.300 2.243 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](O)CC(C)(C)O ZINC000871968870 684898169 /nfs/dbraw/zinc/89/81/69/684898169.db2.gz MXIIANWOUJZJGS-OAHLLOKOSA-N 0 3 368.547 2.107 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](C)NCC)nc1C ZINC000876574331 686222261 /nfs/dbraw/zinc/22/22/61/686222261.db2.gz CCBOFVKYANZCOZ-SECBINFHSA-N 0 3 352.489 2.121 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000876615659 686229002 /nfs/dbraw/zinc/22/90/02/686229002.db2.gz KFPNFHPJDARTBL-OAHLLOKOSA-N 0 3 370.280 2.484 20 30 FEEDHN CN(C)[C@@H](CNC(=O)[C@H]1NCCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722803 686253673 /nfs/dbraw/zinc/25/36/73/686253673.db2.gz FMUMMHRKVPKYAC-ROUUACIJSA-N 0 3 354.479 2.226 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000876781419 686267335 /nfs/dbraw/zinc/26/73/35/686267335.db2.gz LAAWVJDSRCWVSK-RCCFBDPRSA-N 0 3 365.905 2.252 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000876897948 686290238 /nfs/dbraw/zinc/29/02/38/686290238.db2.gz OKKJOAJBXYLIGN-CQSZACIVSA-N 0 3 368.861 2.110 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000876908151 686293176 /nfs/dbraw/zinc/29/31/76/686293176.db2.gz KBVJVZNEYJRFJT-KGLIPLIRSA-N 0 3 362.817 2.106 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000876945829 686299276 /nfs/dbraw/zinc/29/92/76/686299276.db2.gz JXWBYJMNXQXSGT-HONMWMINSA-N 0 3 352.866 2.444 20 30 FEEDHN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1cnc2c(C#N)cnn2c1 ZINC000877715823 686444456 /nfs/dbraw/zinc/44/44/56/686444456.db2.gz JVVJIQALERSOLC-GOSISDBHSA-N 0 3 355.829 2.338 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCC[C@@H]1CSc3ccccc3O1)C2 ZINC000884373857 687857836 /nfs/dbraw/zinc/85/78/36/687857836.db2.gz YBSWMLOWFYXDBN-YYHKSVKZSA-N 0 3 357.479 2.185 20 30 FEEDHN C[C@H](NC[C@H](O)CC1(C#N)CCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886109881 688204513 /nfs/dbraw/zinc/20/45/13/688204513.db2.gz UHRFZULJCIDMJA-GOEBONIOSA-N 0 3 365.499 2.032 20 30 FEEDHN C#CCN(C(=O)CCOCC(F)(F)C(F)(F)F)C1CCN(C)CC1 ZINC000886577422 688278591 /nfs/dbraw/zinc/27/85/91/688278591.db2.gz IJOKXBIBTMIHRY-UHFFFAOYSA-N 0 3 356.335 2.147 20 30 FEEDHN C#CCN(C(=O)[C@H](O)c1cccc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000886576126 688278662 /nfs/dbraw/zinc/27/86/62/688278662.db2.gz XXEJKDVQQCKNER-MRXNPFEDSA-N 0 3 354.372 2.295 20 30 FEEDHN C#CCN(C(=O)c1ccc(OC(F)F)c(OC)c1)C1CCN(C)CC1 ZINC000886589498 688280283 /nfs/dbraw/zinc/28/02/83/688280283.db2.gz XFIWQZQKSVREAI-UHFFFAOYSA-N 0 3 352.381 2.466 20 30 FEEDHN COC[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCOC1 ZINC000886910125 688339531 /nfs/dbraw/zinc/33/95/31/688339531.db2.gz LRJAKDUCEUENFQ-XJKSGUPXSA-N 0 3 351.834 2.181 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cncc(Cl)c1)C(C)C ZINC000889799581 688831336 /nfs/dbraw/zinc/83/13/36/688831336.db2.gz CAZOFXGFPMKAEI-INIZCTEOSA-N 0 3 364.877 2.488 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1c(Br)cnn1C ZINC000892465249 689199794 /nfs/dbraw/zinc/19/97/94/689199794.db2.gz OEHYOVYWSRYVDR-NSHDSACASA-N 0 3 369.263 2.130 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000892466056 689200388 /nfs/dbraw/zinc/20/03/88/689200388.db2.gz XDJAKMPJSMOHEC-JKSUJKDBSA-N 0 3 350.459 2.368 20 30 FEEDHN N#CC(C(=O)C[C@@H]1CCNC1=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892496975 689204037 /nfs/dbraw/zinc/20/40/37/689204037.db2.gz UGLPFLGSKLYJBN-WCBMZHEXSA-N 0 3 354.193 2.167 20 30 FEEDHN C[C@@H]1[C@@H](NC(=O)NCc2nc(C#N)cs2)CCN1Cc1ccccc1 ZINC000894884959 689613986 /nfs/dbraw/zinc/61/39/86/689613986.db2.gz MSMNOAVGUAZKAU-CJNGLKHVSA-N 0 3 355.467 2.477 20 30 FEEDHN COCCN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000906502378 691277779 /nfs/dbraw/zinc/27/77/79/691277779.db2.gz QWRBHDOSMYHXJR-QGZVFWFLSA-N 0 3 365.499 2.070 20 30 FEEDHN C=C(CCN(C)C)C(=O)N[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000907955833 691589702 /nfs/dbraw/zinc/58/97/02/691589702.db2.gz ZWGBZZAKEZEHCT-RDJZCZTQSA-N 0 3 352.500 2.093 20 30 FEEDHN N#Cc1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867944 721039252 /nfs/dbraw/zinc/03/92/52/721039252.db2.gz LDJSIMYTKWMVNQ-IRXDYDNUSA-N 0 3 369.856 2.481 20 30 FEEDHN Cc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164980688 722103355 /nfs/dbraw/zinc/10/33/55/722103355.db2.gz JYCGMPJYFUEBHE-QUCCMNQESA-N 0 3 363.465 2.384 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1ccccc1Br ZINC000818602760 675227702 /nfs/dbraw/zinc/22/77/02/675227702.db2.gz COHXEGUBBGVQFW-ZDUSSCGKSA-N 0 3 353.260 2.288 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 ZINC000076218604 542246430 /nfs/dbraw/zinc/24/64/30/542246430.db2.gz SNWYTEDLZIMHNI-LLVKDONJSA-N 0 3 352.387 2.086 20 30 FEEDHN Cn1cc(CNC[C@@H]2CN3CCCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998503 210205248 /nfs/dbraw/zinc/20/52/48/210205248.db2.gz XDQWURAMHSJKFN-VQTJNVASSA-N 0 3 365.481 2.302 20 30 FEEDHN CCN1CCN(Cc2ccc(CNc3ccc(C#N)c(N)n3)cc2)CC1 ZINC000517246325 539357143 /nfs/dbraw/zinc/35/71/43/539357143.db2.gz RNMMRKQUXKXTGO-UHFFFAOYSA-N 0 3 350.470 2.285 20 30 FEEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000800310327 674040942 /nfs/dbraw/zinc/04/09/42/674040942.db2.gz WWTJIITUGMNTBW-BBRMVZONSA-N 0 3 370.902 2.160 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NC(C)(C)C ZINC000008251208 539481374 /nfs/dbraw/zinc/48/13/74/539481374.db2.gz RGIOIWNIIFSFDS-UHFFFAOYSA-N 0 3 365.547 2.499 20 30 FEEDHN CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867986 539771237 /nfs/dbraw/zinc/77/12/37/539771237.db2.gz QSZKERPFYPFGCB-QGZVFWFLSA-N 0 3 354.406 2.353 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccccn1 ZINC000042963840 540084040 /nfs/dbraw/zinc/08/40/40/540084040.db2.gz RZIXWKNTVCLLMR-UHFFFAOYSA-N 0 3 351.454 2.269 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000047214013 540296983 /nfs/dbraw/zinc/29/69/83/540296983.db2.gz JTQSWYUBACNTSJ-HNNXBMFYSA-N 0 3 372.513 2.424 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000047214013 540296986 /nfs/dbraw/zinc/29/69/86/540296986.db2.gz JTQSWYUBACNTSJ-HNNXBMFYSA-N 0 3 372.513 2.424 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047416592 540308818 /nfs/dbraw/zinc/30/88/18/540308818.db2.gz JJMFEJHGCVSUSF-HUUCEWRRSA-N 0 3 372.513 2.280 20 30 FEEDHN CCN1CCC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000052594179 540476187 /nfs/dbraw/zinc/47/61/87/540476187.db2.gz SIJFJMDEPBAFIE-SFHVURJKSA-N 0 3 355.486 2.264 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000057126633 540769728 /nfs/dbraw/zinc/76/97/28/540769728.db2.gz GIFLXFYENLQIHT-NRFANRHFSA-N 0 3 369.509 2.294 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000059890728 540866653 /nfs/dbraw/zinc/86/66/53/540866653.db2.gz HHLLHRGBOAPSHP-SPLOXXLWSA-N 0 3 372.513 2.423 20 30 FEEDHN COc1cc(CNCc2cccc(C#N)c2)ccc1OCC(=O)N(C)C ZINC000065981199 541275899 /nfs/dbraw/zinc/27/58/99/541275899.db2.gz JELLNDDHIGICDE-UHFFFAOYSA-N 0 3 353.422 2.324 20 30 FEEDHN CC(C)(C)N1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000066241172 541294250 /nfs/dbraw/zinc/29/42/50/541294250.db2.gz VZYQIZALFIABST-UHFFFAOYSA-N 0 3 366.469 2.273 20 30 FEEDHN C#CCN1CCC(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)CC1 ZINC000066922295 541394710 /nfs/dbraw/zinc/39/47/10/541394710.db2.gz USURMJBLSNVIEN-UHFFFAOYSA-N 0 3 370.493 2.205 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000068133693 541553321 /nfs/dbraw/zinc/55/33/21/541553321.db2.gz MLGUNSXHAJHSGU-KRWDZBQOSA-N 0 3 357.454 2.423 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069473489 541688697 /nfs/dbraw/zinc/68/86/97/541688697.db2.gz WMFYKDANSNCCQG-DLBZAZTESA-N 0 3 373.476 2.402 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cnn(-c2ncccn2)c1)C(C)C ZINC000072561456 541832625 /nfs/dbraw/zinc/83/26/25/541832625.db2.gz GMWCJSCTPRXPID-QGZVFWFLSA-N 0 3 369.473 2.482 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000545197750 541899874 /nfs/dbraw/zinc/89/98/74/541899874.db2.gz OAHZBIHRWOXDLY-INIZCTEOSA-N 0 3 365.441 2.149 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C(=O)N(CC)CC)CC1 ZINC000074129999 542040789 /nfs/dbraw/zinc/04/07/89/542040789.db2.gz WJQQVKCJQSJIAQ-QGZVFWFLSA-N 0 3 350.507 2.069 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(COC(C)C)c2)CC1 ZINC000076526240 542288826 /nfs/dbraw/zinc/28/88/26/542288826.db2.gz SJYMCHKKWYCDGH-UHFFFAOYSA-N 0 3 359.470 2.317 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(OCC(=C)C)c2)CC1 ZINC000076526224 542288834 /nfs/dbraw/zinc/28/88/34/542288834.db2.gz VDATZZSCRCXXPZ-UHFFFAOYSA-N 0 3 357.454 2.347 20 30 FEEDHN COc1cc(C#N)ccc1OCCN(CCC(N)=O)Cc1ccccc1 ZINC000077247853 542359066 /nfs/dbraw/zinc/35/90/66/542359066.db2.gz WWQRKEFRTHJOOG-UHFFFAOYSA-N 0 3 353.422 2.323 20 30 FEEDHN N#Cc1nnc2ccccc2c1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000077488195 542388293 /nfs/dbraw/zinc/38/82/93/542388293.db2.gz LCMPSWXIICFFHI-QGZVFWFLSA-N 0 3 359.433 2.333 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000088775359 542756398 /nfs/dbraw/zinc/75/63/98/542756398.db2.gz FCTZHNQOTXHECS-UHFFFAOYSA-N 0 3 360.845 2.307 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cccc(Br)c1C ZINC000090092782 542782650 /nfs/dbraw/zinc/78/26/50/542782650.db2.gz RPKIBYVNGAGLNJ-NSHDSACASA-N 0 3 360.273 2.363 20 30 FEEDHN C=CCNC(=O)c1ccc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000091478649 542809793 /nfs/dbraw/zinc/80/97/93/542809793.db2.gz DTAFOZZCAOYBAJ-IRXDYDNUSA-N 0 3 372.513 2.323 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000091771162 542825229 /nfs/dbraw/zinc/82/52/29/542825229.db2.gz NVNNTUVKNKMKTK-IEBWSBKVSA-N 0 3 373.884 2.073 20 30 FEEDHN C[C@@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)N(C)C1CC1 ZINC000092235947 542850313 /nfs/dbraw/zinc/85/03/13/542850313.db2.gz DYZQENBUFRKYDP-NXVRBGIVSA-N 0 3 371.485 2.425 20 30 FEEDHN COc1cc(N[C@H]2CCCN(CCC(=O)N(C)CCC#N)C2)cc(OC)c1 ZINC000092805998 542887855 /nfs/dbraw/zinc/88/78/55/542887855.db2.gz KKHSDXXBXAENAA-INIZCTEOSA-N 0 3 374.485 2.342 20 30 FEEDHN COCCOc1ncccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000093242929 542920424 /nfs/dbraw/zinc/92/04/24/542920424.db2.gz KYVUSCDSNOGAFM-CQSZACIVSA-N 0 3 350.378 2.484 20 30 FEEDHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000098027190 543018021 /nfs/dbraw/zinc/01/80/21/543018021.db2.gz NEZHWAOKEKANJD-GOSISDBHSA-N 0 3 372.517 2.151 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000106037348 543186148 /nfs/dbraw/zinc/18/61/48/543186148.db2.gz YGHGYYQOXRJPGO-UHFFFAOYSA-N 0 3 355.442 2.221 20 30 FEEDHN C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000106290992 543221729 /nfs/dbraw/zinc/22/17/29/543221729.db2.gz ANCBBHKROVWRMV-SFHVURJKSA-N 0 3 371.481 2.154 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)CC1 ZINC000106349071 543224860 /nfs/dbraw/zinc/22/48/60/543224860.db2.gz BLVORRNUZZJVBD-OAHLLOKOSA-N 0 3 359.470 2.489 20 30 FEEDHN COCCN(C)CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000111852338 543420607 /nfs/dbraw/zinc/42/06/07/543420607.db2.gz PZUCSHHGZWTBFU-UHFFFAOYSA-N 0 3 374.485 2.126 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156419915 545626304 /nfs/dbraw/zinc/62/63/04/545626304.db2.gz YCAVZBUUPXQEET-WBVHZDCISA-N 0 3 363.527 2.451 20 30 FEEDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000118117264 543646417 /nfs/dbraw/zinc/64/64/17/543646417.db2.gz PIRIEHBISWNPDH-AWEZNQCLSA-N 0 3 362.499 2.477 20 30 FEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000118532630 543652879 /nfs/dbraw/zinc/65/28/79/543652879.db2.gz GKSXQEDXTQODMW-OAHLLOKOSA-N 0 3 368.481 2.055 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCN1C ZINC000120551195 543681870 /nfs/dbraw/zinc/68/18/70/543681870.db2.gz KKSPADLPURQOSF-NVXWUHKLSA-N 0 3 372.469 2.249 20 30 FEEDHN CC(C)(CCC#N)CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000123540087 543767823 /nfs/dbraw/zinc/76/78/23/543767823.db2.gz WGAPKIBIURZDPN-UHFFFAOYSA-N 0 3 353.470 2.371 20 30 FEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000133995266 544290846 /nfs/dbraw/zinc/29/08/46/544290846.db2.gz KDCWMYPTKYTXQS-INIZCTEOSA-N 0 3 372.469 2.108 20 30 FEEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000151239007 544519949 /nfs/dbraw/zinc/51/99/49/544519949.db2.gz CAYHOMSKKVBHOO-MRXNPFEDSA-N 0 3 358.486 2.447 20 30 FEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)C2 ZINC000151298333 544525516 /nfs/dbraw/zinc/52/55/16/544525516.db2.gz INEOZUFCTOQNHA-DLBZAZTESA-N 0 3 354.454 2.362 20 30 FEEDHN C=C(C)COCCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000151525094 544552729 /nfs/dbraw/zinc/55/27/29/544552729.db2.gz MDDHWRXBMUVFFO-UHFFFAOYSA-N 0 3 360.502 2.323 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000191248515 328256184 /nfs/dbraw/zinc/25/61/84/328256184.db2.gz IULGTXIBZVZMII-KBXCAEBGSA-N 0 3 350.422 2.304 20 30 FEEDHN Cn1cc(CNC[C@@H](O)COc2ccccc2Br)cc1C#N ZINC000191350696 328261470 /nfs/dbraw/zinc/26/14/70/328261470.db2.gz OJZXYIAVQLVNFS-CQSZACIVSA-N 0 3 364.243 2.189 20 30 FEEDHN CN(CCCN1CCN(C)CC1)Cc1cc(C#N)ccc1Br ZINC000191817783 328283674 /nfs/dbraw/zinc/28/36/74/328283674.db2.gz OTESBHFVKTXXPA-UHFFFAOYSA-N 0 3 365.319 2.390 20 30 FEEDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc(C#N)c(C)n2)c1 ZINC000191955397 328290353 /nfs/dbraw/zinc/29/03/53/328290353.db2.gz HLWWHXFNQXQXID-UHFFFAOYSA-N 0 3 352.438 2.474 20 30 FEEDHN N#Cc1ccc(Cn2cnc(NC(=O)C3CCN(C4CC4)CC3)n2)cc1 ZINC000192681325 328332927 /nfs/dbraw/zinc/33/29/27/328332927.db2.gz ATRWRERHCVMOED-UHFFFAOYSA-N 0 3 350.426 2.011 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000193374771 328371414 /nfs/dbraw/zinc/37/14/14/328371414.db2.gz TXUKGWLYJJWWSL-INIZCTEOSA-N 0 3 371.485 2.140 20 30 FEEDHN CN(C)CCOc1ccc(CNC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000045794199 324586992 /nfs/dbraw/zinc/58/69/92/324586992.db2.gz GWTUNIQXOUGAAT-UHFFFAOYSA-N 0 3 352.438 2.498 20 30 FEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000088771282 325300788 /nfs/dbraw/zinc/30/07/88/325300788.db2.gz FUGRKASNJJSLIM-QWHCGFSZSA-N 0 3 362.861 2.387 20 30 FEEDHN CC(C)CNC(=O)c1cccc(CN(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000089943037 325344084 /nfs/dbraw/zinc/34/40/84/325344084.db2.gz UNTIUFVUXNZLRE-UHFFFAOYSA-N 0 3 368.485 2.314 20 30 FEEDHN CCCCN(C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000118114870 326082361 /nfs/dbraw/zinc/08/23/61/326082361.db2.gz TZAVUSZTXYABRK-UHFFFAOYSA-N 0 3 360.458 2.132 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2c(c1)ncn2C ZINC000159792908 326942273 /nfs/dbraw/zinc/94/22/73/326942273.db2.gz RPSQFCFUXLOGKA-UHFFFAOYSA-N 0 3 362.437 2.044 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000171620849 327148568 /nfs/dbraw/zinc/14/85/68/327148568.db2.gz NIFVSGHNAVBJMW-INIZCTEOSA-N 0 3 364.453 2.304 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000173568366 327267439 /nfs/dbraw/zinc/26/74/39/327267439.db2.gz ZPZGXWJQXAJXHK-QGZVFWFLSA-N 0 3 354.454 2.186 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)N(C)C ZINC000265509834 329134444 /nfs/dbraw/zinc/13/44/44/329134444.db2.gz IKYYADDSALRSKT-CQSZACIVSA-N 0 3 366.421 2.355 20 30 FEEDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCOc1ccc(C#N)cc1OC)CC2 ZINC000265954126 329176133 /nfs/dbraw/zinc/17/61/33/329176133.db2.gz HWLWHBHOSLCQGN-RTBURBONSA-N 0 3 360.454 2.198 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000267953714 329371501 /nfs/dbraw/zinc/37/15/01/329371501.db2.gz SBBRBHBDEQYZIP-LPHOPBHVSA-N 0 3 367.497 2.011 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1C#N ZINC000276215891 330130045 /nfs/dbraw/zinc/13/00/45/330130045.db2.gz WQSAVSHVLCCALW-CQSZACIVSA-N 0 3 370.453 2.051 20 30 FEEDHN N#Cc1cccc(OCCCCC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160540444 546050106 /nfs/dbraw/zinc/05/01/06/546050106.db2.gz VHNVZHBKLPOECR-SFHVURJKSA-N 0 3 359.470 2.070 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)NC[C@H](O)CN2CCCCC2)cc1OC ZINC000160647179 546058838 /nfs/dbraw/zinc/05/88/38/546058838.db2.gz NXCZZSQTBSHULO-LNENJAERSA-N 0 3 374.481 2.236 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171305593 546203236 /nfs/dbraw/zinc/20/32/36/546203236.db2.gz IKWAVUVSUXXHMP-OTWHNJEPSA-N 0 3 363.546 2.397 20 30 FEEDHN N#CCCCCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000171474209 546210907 /nfs/dbraw/zinc/21/09/07/546210907.db2.gz FYOCNFFUHNKKFH-UHFFFAOYSA-N 0 3 374.510 2.026 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccc(N3CCCC3=O)c2)CC1 ZINC000171713181 546221076 /nfs/dbraw/zinc/22/10/76/546221076.db2.gz ATQKZDBOHQUGIO-UHFFFAOYSA-N 0 3 356.470 2.263 20 30 FEEDHN C=CCN1CCC(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc32)CC1 ZINC000171726877 546221547 /nfs/dbraw/zinc/22/15/47/546221547.db2.gz RWICWVUORQADFZ-UHFFFAOYSA-N 0 3 368.481 2.433 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)CC1 ZINC000171738598 546222765 /nfs/dbraw/zinc/22/27/65/546222765.db2.gz SPGYUDNQXMWGJU-IAGOWNOFSA-N 0 3 364.534 2.363 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)CC1 ZINC000171737454 546222991 /nfs/dbraw/zinc/22/29/91/546222991.db2.gz KFBWQPVARWUOLT-INIZCTEOSA-N 0 3 368.485 2.269 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1 ZINC000173196972 546275837 /nfs/dbraw/zinc/27/58/37/546275837.db2.gz JDOQRMDLNJEYFF-MAUKXSAKSA-N 0 3 356.470 2.130 20 30 FEEDHN Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000174044983 546289814 /nfs/dbraw/zinc/28/98/14/546289814.db2.gz GNACSSNORDVIMV-PBHICJAKSA-N 0 3 353.426 2.087 20 30 FEEDHN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC#N)cc1 ZINC000174045064 546289916 /nfs/dbraw/zinc/28/99/16/546289916.db2.gz OZTHLSUPRDFOCR-WMLDXEAASA-N 0 3 353.426 2.169 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000176154095 546414710 /nfs/dbraw/zinc/41/47/10/546414710.db2.gz YSJZDDKXTNVJAG-HNNXBMFYSA-N 0 3 351.491 2.400 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177426771 546614810 /nfs/dbraw/zinc/61/48/10/546614810.db2.gz MJCZFCXQEZVFFK-UHFFFAOYSA-N 0 3 370.497 2.319 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCOC2CCCC2)cc1 ZINC000480948558 561220958 /nfs/dbraw/zinc/22/09/58/561220958.db2.gz BLQFUOABPJCMPO-CYBMUJFWSA-N 0 3 365.455 2.453 20 30 FEEDHN CCCCN(C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000481068817 561224310 /nfs/dbraw/zinc/22/43/10/561224310.db2.gz DMTQJTWYHIDCIH-AWEZNQCLSA-N 0 3 366.487 2.226 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000179138750 546904699 /nfs/dbraw/zinc/90/46/99/546904699.db2.gz LDWBZGIVDGRRNG-HNNXBMFYSA-N 0 3 354.458 2.278 20 30 FEEDHN Cc1onc(CC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)c1C#N ZINC000482268854 561251602 /nfs/dbraw/zinc/25/16/02/561251602.db2.gz RBDFJFROYBZMCZ-IBGZPJMESA-N 0 3 352.438 2.424 20 30 FEEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)C1(C#N)CCOCC1 ZINC000180424464 547107150 /nfs/dbraw/zinc/10/71/50/547107150.db2.gz VNKBZNPHDGXPNJ-UHFFFAOYSA-N 0 3 356.470 2.467 20 30 FEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccc1OC(F)F ZINC000180868711 547198830 /nfs/dbraw/zinc/19/88/30/547198830.db2.gz ZLKXPTBHWXADDJ-YZSSSTSJSA-N 0 3 351.353 2.465 20 30 FEEDHN CC#CCCNC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000483430149 561277039 /nfs/dbraw/zinc/27/70/39/561277039.db2.gz VCSDEZUWCUJAJX-LJQANCHMSA-N 0 3 369.513 2.039 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000181665556 547355630 /nfs/dbraw/zinc/35/56/30/547355630.db2.gz OFOVXGAMPPBOHL-PMPSAXMXSA-N 0 3 372.469 2.153 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCCOC2)cc1 ZINC000483614950 561280769 /nfs/dbraw/zinc/28/07/69/561280769.db2.gz BIVMGOZZRDREGW-JSGCOSHPSA-N 0 3 351.428 2.015 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000183365263 547645155 /nfs/dbraw/zinc/64/51/55/547645155.db2.gz FVSLFYUEEPWBPI-HBFSDRIKSA-N 0 3 356.514 2.461 20 30 FEEDHN N#CCOc1ccccc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183419015 547655282 /nfs/dbraw/zinc/65/52/82/547655282.db2.gz SXXRKRXXNGHKMF-SFHVURJKSA-N 0 3 365.433 2.086 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000184598831 547852608 /nfs/dbraw/zinc/85/26/08/547852608.db2.gz IBDIXYOWPGJFJI-INIZCTEOSA-N 0 3 360.458 2.389 20 30 FEEDHN CN(C)[C@H](CNC(=O)CN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000184934511 547903673 /nfs/dbraw/zinc/90/36/73/547903673.db2.gz YTMYCAZRSQGRNG-HXUWFJFHSA-N 0 3 350.466 2.409 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000185786198 548035887 /nfs/dbraw/zinc/03/58/87/548035887.db2.gz VRNRPQKIEZUNQR-HNNXBMFYSA-N 0 3 351.472 2.062 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000187450998 548257907 /nfs/dbraw/zinc/25/79/07/548257907.db2.gz MMWRPNSJIHZQES-UHFFFAOYSA-N 0 3 358.486 2.192 20 30 FEEDHN C#CCOc1ccc(CN[C@@H]2CCCN(c3ccnn3CC)C2=O)cc1 ZINC000191639752 548347755 /nfs/dbraw/zinc/34/77/55/548347755.db2.gz VVVMVERQCLFOBW-GOSISDBHSA-N 0 3 352.438 2.200 20 30 FEEDHN N#Cc1cccc(/C=C/C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000245586087 548952590 /nfs/dbraw/zinc/95/25/90/548952590.db2.gz MIQAVCYYQOYODJ-XNZYIBKVSA-N 0 3 361.445 2.323 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC2CCN(CC3CCCC3)CC2)cc1C#N ZINC000489288461 561407250 /nfs/dbraw/zinc/40/72/50/561407250.db2.gz DWTZTVBXXDWLEJ-UHFFFAOYSA-N 0 3 362.499 2.195 20 30 FEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000248387274 549424509 /nfs/dbraw/zinc/42/45/09/549424509.db2.gz ATFZXXZBFSYSOJ-GJZGRUSLSA-N 0 3 367.457 2.381 20 30 FEEDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000248505425 549451935 /nfs/dbraw/zinc/45/19/35/549451935.db2.gz WNVNJCFBSOWCFC-DZGCQCFKSA-N 0 3 353.875 2.316 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000248620340 549469472 /nfs/dbraw/zinc/46/94/72/549469472.db2.gz XVVRFHSNCOLVCE-DZGCQCFKSA-N 0 3 353.875 2.316 20 30 FEEDHN COC[C@@H](Cc1ccccc1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000249148436 549560250 /nfs/dbraw/zinc/56/02/50/549560250.db2.gz XFSKWVRVFJUTDK-UXHICEINSA-N 0 3 354.450 2.487 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000249552780 549604442 /nfs/dbraw/zinc/60/44/42/549604442.db2.gz IPHANNYXEZEVEJ-KNQAVFIVSA-N 0 3 373.541 2.368 20 30 FEEDHN C=CCOc1ccc(CN2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000261776423 549754172 /nfs/dbraw/zinc/75/41/72/549754172.db2.gz PRVGWDXKNDOWJN-UHFFFAOYSA-N 0 3 353.470 2.326 20 30 FEEDHN Cc1nc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000263725075 549926671 /nfs/dbraw/zinc/92/66/71/549926671.db2.gz FGISTZFYSHJDNU-GJZGRUSLSA-N 0 3 356.470 2.223 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2CS(C)(=O)=O)CC1 ZINC000264365347 549994417 /nfs/dbraw/zinc/99/44/17/549994417.db2.gz IEZJKZHPRPAODT-UHFFFAOYSA-N 0 3 365.499 2.393 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000264421260 549996091 /nfs/dbraw/zinc/99/60/91/549996091.db2.gz WTZPLPPXSJUNLM-UHFFFAOYSA-N 0 3 374.485 2.224 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000266356714 550019482 /nfs/dbraw/zinc/01/94/82/550019482.db2.gz DFRWYQMHXBRUOC-CQSZACIVSA-N 0 3 368.437 2.268 20 30 FEEDHN C=C(C)[C@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)OCC ZINC000270037570 550245050 /nfs/dbraw/zinc/24/50/50/550245050.db2.gz JBGZLMRFMAGIFX-KRWDZBQOSA-N 0 3 361.442 2.466 20 30 FEEDHN C#CC[C@H](NC(=O)NCCCCN1CCN(CC)CC1)c1ccccc1 ZINC000270437925 550272406 /nfs/dbraw/zinc/27/24/06/550272406.db2.gz QGKIJFODKOJNGA-FQEVSTJZSA-N 0 3 356.514 2.468 20 30 FEEDHN C[C@@H]1C[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000271604382 550389052 /nfs/dbraw/zinc/38/90/52/550389052.db2.gz UYKLMCVMJKFATH-APWZRJJASA-N 0 3 358.486 2.447 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@]1(C)CCO[C@H]1C ZINC000494256358 561465737 /nfs/dbraw/zinc/46/57/37/561465737.db2.gz IPQUWONZBGINPJ-HNAYVOBHSA-N 0 3 362.474 2.109 20 30 FEEDHN C[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(OCC#N)cc1 ZINC000271850794 550405744 /nfs/dbraw/zinc/40/57/44/550405744.db2.gz RKKSLZFPPNIMQH-ZBFHGGJFSA-N 0 3 370.405 2.408 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000272639328 550462256 /nfs/dbraw/zinc/46/22/56/550462256.db2.gz ZXLMSSMHYSSMAA-HZPDHXFCSA-N 0 3 370.453 2.003 20 30 FEEDHN C[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1=CCN(C)CC1 ZINC000272940595 550477689 /nfs/dbraw/zinc/47/76/89/550477689.db2.gz LXCRMSGJMREWOQ-QGZVFWFLSA-N 0 3 367.497 2.036 20 30 FEEDHN CN1CCC(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000273268763 550492131 /nfs/dbraw/zinc/49/21/31/550492131.db2.gz OFXPMUNDTVDKSH-UHFFFAOYSA-N 0 3 354.498 2.324 20 30 FEEDHN C=CCCCCNC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000274524843 550542006 /nfs/dbraw/zinc/54/20/06/550542006.db2.gz OEUSBHNDWNNPIF-UHFFFAOYSA-N 0 3 358.486 2.240 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000276484860 550578767 /nfs/dbraw/zinc/57/87/67/550578767.db2.gz UCCOVYHEFDRYJJ-UHFFFAOYSA-N 0 3 353.850 2.253 20 30 FEEDHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC#Cc1ccccc1 ZINC000276526597 550579174 /nfs/dbraw/zinc/57/91/74/550579174.db2.gz FKMCGORKFPHQMD-JOCHJYFZSA-N 0 3 359.429 2.235 20 30 FEEDHN CCNC(=O)C1(CNCc2cn(C)nc2-c2ccc(C#N)cc2)CCC1 ZINC000277161519 550638529 /nfs/dbraw/zinc/63/85/29/550638529.db2.gz GVXJVRFNRGVZHK-UHFFFAOYSA-N 0 3 351.454 2.355 20 30 FEEDHN C=CCN1CCC(NC(=O)N(CCOC)Cc2scnc2C)CC1 ZINC000494872326 561478363 /nfs/dbraw/zinc/47/83/63/561478363.db2.gz FWYUMDIZSBJWBM-UHFFFAOYSA-N 0 3 352.504 2.260 20 30 FEEDHN CC[C@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278395800 550780752 /nfs/dbraw/zinc/78/07/52/550780752.db2.gz FDAQXAXCXYJCLT-ROUUACIJSA-N 0 3 365.499 2.087 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2nccs2)cc1 ZINC000278727288 550815498 /nfs/dbraw/zinc/81/54/98/550815498.db2.gz VMSTXOWJYCINRS-LLVKDONJSA-N 0 3 364.452 2.193 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000279278358 550872609 /nfs/dbraw/zinc/87/26/09/550872609.db2.gz ODDAWOKVLGOILI-RCCFBDPRSA-N 0 3 360.479 2.269 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000279455377 550892247 /nfs/dbraw/zinc/89/22/47/550892247.db2.gz ZSMFKZNDKYYFTJ-HOTGVXAUSA-N 0 3 364.371 2.241 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000279565063 550903576 /nfs/dbraw/zinc/90/35/76/550903576.db2.gz SFNFRDKCCNIIAA-WOJBJXKFSA-N 0 3 357.498 2.031 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[S@](=O)Cc2ccccc2)cc1 ZINC000280262661 550975104 /nfs/dbraw/zinc/97/51/04/550975104.db2.gz CLUXUZRISPPTAM-SIBVEZHUSA-N 0 3 365.458 2.306 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000497511796 561502569 /nfs/dbraw/zinc/50/25/69/561502569.db2.gz YPWZQWHFUGSMPO-SFHVURJKSA-N 0 3 362.518 2.293 20 30 FEEDHN C[C@H](NC(=O)C(=O)NCc1cccc(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000284054204 551475396 /nfs/dbraw/zinc/47/53/96/551475396.db2.gz QHSGNRMVQNSIRG-HNNXBMFYSA-N 0 3 364.449 2.113 20 30 FEEDHN COCc1ncsc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000284071040 551478471 /nfs/dbraw/zinc/47/84/71/551478471.db2.gz VXKBXAXRHUBNAG-UHFFFAOYSA-N 0 3 358.467 2.365 20 30 FEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000284827206 551644662 /nfs/dbraw/zinc/64/46/62/551644662.db2.gz OQTNBZVSGNXJPH-QSFMABPGSA-N 0 3 357.454 2.137 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)COc2cccc(C)c2)CC1 ZINC000284900336 551662459 /nfs/dbraw/zinc/66/24/59/551662459.db2.gz DIROPQNVISKEAC-KRWDZBQOSA-N 0 3 373.497 2.035 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285576430 551777284 /nfs/dbraw/zinc/77/72/84/551777284.db2.gz OCIPZLCIQLUAGH-HOCLYGCPSA-N 0 3 358.360 2.077 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000286605553 551905433 /nfs/dbraw/zinc/90/54/33/551905433.db2.gz LARSRTGBEIFHLZ-UHFFFAOYSA-N 0 3 365.424 2.397 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000286614039 551906216 /nfs/dbraw/zinc/90/62/16/551906216.db2.gz LMCMXRNHFCGUOJ-BEFAXECRSA-N 0 3 355.482 2.193 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)CC(C)(C)C)cc1 ZINC000287141916 551968665 /nfs/dbraw/zinc/96/86/65/551968665.db2.gz LRIGDZZZCBVPTC-TZMCWYRMSA-N 0 3 367.471 2.291 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCSC2)cc1 ZINC000287330929 551990760 /nfs/dbraw/zinc/99/07/60/551990760.db2.gz OSMUPHUEWUXMPG-AAEUAGOBSA-N 0 3 353.469 2.389 20 30 FEEDHN CC[C@](C)(C#N)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000287367067 551995077 /nfs/dbraw/zinc/99/50/77/551995077.db2.gz NYWSTAOEMTYFNO-PZJWPPBQSA-N 0 3 354.498 2.345 20 30 FEEDHN C#CCC(C)(C)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000287401218 551999277 /nfs/dbraw/zinc/99/92/77/551999277.db2.gz PLCBNVCPRWSIFY-FQEVSTJZSA-N 0 3 353.510 2.455 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@H]2CCO)cc1 ZINC000287402534 551999579 /nfs/dbraw/zinc/99/95/79/551999579.db2.gz SWAIGQXEUVPRIA-WWGRRREGSA-N 0 3 365.455 2.045 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCCO2)cc1 ZINC000287455734 552006331 /nfs/dbraw/zinc/00/63/31/552006331.db2.gz XFIYWIZYOYHKLR-GXTWGEPZSA-N 0 3 351.428 2.063 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000287824076 552051662 /nfs/dbraw/zinc/05/16/62/552051662.db2.gz BTRPIRZFRMRKJU-HKUYNNGSSA-N 0 3 357.498 2.438 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000288125077 552095562 /nfs/dbraw/zinc/09/55/62/552095562.db2.gz KGVBLRMTURHSRM-VYDXJSESSA-N 0 3 370.453 2.001 20 30 FEEDHN C=CCN1CC[C@H](NC(C)(C)COc2ncccc2Br)C1=O ZINC000499600035 561554408 /nfs/dbraw/zinc/55/44/08/561554408.db2.gz MUHNLDMYYTUUSW-ZDUSSCGKSA-N 0 3 368.275 2.378 20 30 FEEDHN Cc1onc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000499846594 561559665 /nfs/dbraw/zinc/55/96/65/561559665.db2.gz JZRJZOHXBOGZPA-KDOFPFPSSA-N 0 3 352.438 2.424 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1ncc2ccccc21 ZINC000499914327 561561412 /nfs/dbraw/zinc/56/14/12/561561412.db2.gz SMZOIIVLYMOLBA-UHFFFAOYSA-N 0 3 361.449 2.498 20 30 FEEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288896593 552232243 /nfs/dbraw/zinc/23/22/43/552232243.db2.gz GTSWVVNZSUQQRZ-UHFFFAOYSA-N 0 3 362.861 2.485 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC000293981751 552872719 /nfs/dbraw/zinc/87/27/19/552872719.db2.gz NAESONSOLLFMAW-UHFFFAOYSA-N 0 3 358.467 2.452 20 30 FEEDHN C=CCc1cc(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)cc(OC)c1OC ZINC000294019686 552875791 /nfs/dbraw/zinc/87/57/91/552875791.db2.gz ZFOOUBVUYNFUOR-ZWKOTPCHSA-N 0 3 374.481 2.368 20 30 FEEDHN N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2C2CCOCC2)C[C@H]1c1ccccc1 ZINC000294289208 552894279 /nfs/dbraw/zinc/89/42/79/552894279.db2.gz QTRPYIUFAXEOIU-HOJAQTOUSA-N 0 3 353.466 2.396 20 30 FEEDHN C=CCOc1ccc(CC(=O)NC[C@H](C)CN2CCN(CC)CC2)cc1 ZINC000295010707 552951253 /nfs/dbraw/zinc/95/12/53/552951253.db2.gz XLKVJYKHOZSPJJ-SFHVURJKSA-N 0 3 359.514 2.184 20 30 FEEDHN C[C@H]1CN(CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCCO1 ZINC000295304365 552984476 /nfs/dbraw/zinc/98/44/76/552984476.db2.gz KDUQFBBSRRHNIS-LBPRGKRZSA-N 0 3 370.375 2.203 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ncn(-c3ccccc3)n2)CC1 ZINC000296676117 553196878 /nfs/dbraw/zinc/19/68/78/553196878.db2.gz PXVLMVJYUHTFGW-UHFFFAOYSA-N 0 3 354.458 2.107 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000296993239 553239403 /nfs/dbraw/zinc/23/94/03/553239403.db2.gz SSLFWUOKUVPBSX-DLBZAZTESA-N 0 3 351.397 2.049 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCOC2(C)C)cc1 ZINC000297852585 553347472 /nfs/dbraw/zinc/34/74/72/553347472.db2.gz OVALQFKUBURONM-SMDDNHRTSA-N 0 3 351.428 2.061 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000298874352 553483567 /nfs/dbraw/zinc/48/35/67/553483567.db2.gz LWDVEFJPHHDWMD-CHWSQXEVSA-N 0 3 373.457 2.021 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302239299 553713203 /nfs/dbraw/zinc/71/32/03/553713203.db2.gz HKLYCJRVFPEGPT-CQSZACIVSA-N 0 3 368.441 2.453 20 30 FEEDHN Cc1ccc([C@H](CNC(=O)N2CCN(C3CC3)C(=O)C2)N2CCCC2)cc1 ZINC000328647709 553801676 /nfs/dbraw/zinc/80/16/76/553801676.db2.gz ABKCAWXQPPVGGQ-IBGZPJMESA-N 0 3 370.497 2.353 20 30 FEEDHN C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)C(=O)NCCN1CCCCC1 ZINC000328797331 553823365 /nfs/dbraw/zinc/82/33/65/553823365.db2.gz VROCOPJLEJBSJM-CQSZACIVSA-N 0 3 374.485 2.227 20 30 FEEDHN CN1CCOC[C@@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000328928220 553846488 /nfs/dbraw/zinc/84/64/88/553846488.db2.gz GJOAQCLTUUDTEA-QGZVFWFLSA-N 0 3 360.458 2.352 20 30 FEEDHN CC(C)N1CCN(c2cccc(NC(=O)C[C@@H]3NC(=O)NC3=O)c2)CC1 ZINC000329020209 553865680 /nfs/dbraw/zinc/86/56/80/553865680.db2.gz SGYFIJORERADTQ-HNNXBMFYSA-N 0 3 359.430 2.448 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000329082722 553877067 /nfs/dbraw/zinc/87/70/67/553877067.db2.gz SJYMXZBERIQXDK-MRXNPFEDSA-N 0 3 356.470 2.266 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000329141127 553887904 /nfs/dbraw/zinc/88/79/04/553887904.db2.gz KAENQPLPTQWIMK-IAGOWNOFSA-N 0 3 363.506 2.199 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329201881 553900852 /nfs/dbraw/zinc/90/08/52/553900852.db2.gz CAIMTPQTFLVNRP-DLBZAZTESA-N 0 3 365.522 2.045 20 30 FEEDHN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329246924 553909962 /nfs/dbraw/zinc/90/99/62/553909962.db2.gz AXIPEWCOVKQQCX-UKRRQHHQSA-N 0 3 358.490 2.463 20 30 FEEDHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)C1 ZINC000329307707 553922508 /nfs/dbraw/zinc/92/25/08/553922508.db2.gz ZFUGWUPQXXJCPG-LWGWVAHUSA-N 0 3 365.478 2.271 20 30 FEEDHN C[C@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)C(=O)N1CCCC[C@H]1C ZINC000329339556 553928560 /nfs/dbraw/zinc/92/85/60/553928560.db2.gz ZCFZFLZWHUTJEV-IKGGRYGDSA-N 0 3 350.507 2.250 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000329344769 553928935 /nfs/dbraw/zinc/92/89/35/553928935.db2.gz UJFJNIXZNHBVSL-XMTFNYHQSA-N 0 3 353.507 2.027 20 30 FEEDHN CC(C)c1nc([C@H]2COCCN2C(=O)NC2CCN(C3CC3)CC2)no1 ZINC000329358339 553931690 /nfs/dbraw/zinc/93/16/90/553931690.db2.gz XBLYXIXXTQMMCH-OAHLLOKOSA-N 0 3 363.462 2.107 20 30 FEEDHN NC(=O)c1ccc(NC(=O)CCN2CCN3CCOC[C@@H]3C2)cc1Cl ZINC000329434096 553946084 /nfs/dbraw/zinc/94/60/84/553946084.db2.gz LIELNFIEMVZEIK-ZDUSSCGKSA-N 0 3 366.849 2.218 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329459385 553950862 /nfs/dbraw/zinc/95/08/62/553950862.db2.gz RKMVYIRWTFVWFQ-NRSFXHEJSA-N 0 3 356.470 2.472 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)C1 ZINC000329471905 553953204 /nfs/dbraw/zinc/95/32/04/553953204.db2.gz ZWIWSSLIOOPZNI-SQNIBIBYSA-N 0 3 364.534 2.211 20 30 FEEDHN Cc1cc(C(=O)NC[C@]2(N(C)C)CCSC2)nn1-c1cccc(C#N)c1 ZINC000506727409 561706978 /nfs/dbraw/zinc/70/69/78/561706978.db2.gz YOYPQFQBOPQEBJ-LJQANCHMSA-N 0 3 369.494 2.220 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCCc3ccc(-n4cccn4)cc3)[C@@H]2C1 ZINC000329590055 553972489 /nfs/dbraw/zinc/97/24/89/553972489.db2.gz ZNRVHDUFXMRCAT-IEBWSBKVSA-N 0 3 353.470 2.355 20 30 FEEDHN O=C(CN1CCC2(C1)Oc1ccccc1O2)NC1CCN(C2CC2)CC1 ZINC000329614846 553977224 /nfs/dbraw/zinc/97/72/24/553977224.db2.gz DBUVKTJVLRWWFG-UHFFFAOYSA-N 0 3 357.454 2.443 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCN(c3ncccc3Cl)CC2)CC1 ZINC000329668999 553985387 /nfs/dbraw/zinc/98/53/87/553985387.db2.gz MBWJKSQXGBMAOE-UHFFFAOYSA-N 0 3 365.909 2.298 20 30 FEEDHN CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](C)C3=CCN(C)CC3)ccc2c1=O ZINC000329715216 553994276 /nfs/dbraw/zinc/99/42/76/553994276.db2.gz URPXVSNWXSSIIF-LBPRGKRZSA-N 0 3 356.426 2.077 20 30 FEEDHN O=C(NC[C@H]1CCCN1CC1CCCCC1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329786073 554005533 /nfs/dbraw/zinc/00/55/33/554005533.db2.gz QKAAGZGWMJRDRA-DLBZAZTESA-N 0 3 371.547 2.112 20 30 FEEDHN CCCN1CC[C@H](CNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000329821477 554012286 /nfs/dbraw/zinc/01/22/86/554012286.db2.gz PUQLEDJWDYOMLX-MRXNPFEDSA-N 0 3 371.547 2.066 20 30 FEEDHN CC1CCN([C@H](CNC(=O)N[C@@H]2CC(=O)N(C)C2)c2ccccc2)CC1 ZINC000329943853 554036888 /nfs/dbraw/zinc/03/68/88/554036888.db2.gz WKVRPIZQQBWFQZ-QZTJIDSGSA-N 0 3 358.486 2.194 20 30 FEEDHN CS[C@@H]1CN(C(=O)CCNC(=O)c2ccsc2)C[C@@H]1N1CCCC1 ZINC000330125318 554068828 /nfs/dbraw/zinc/06/88/28/554068828.db2.gz LVJPFGHLWYHWQJ-LSDHHAIUSA-N 0 3 367.540 2.481 20 30 FEEDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@]2(CCCOC2)O1 ZINC000330163238 554076708 /nfs/dbraw/zinc/07/67/08/554076708.db2.gz UZZUTOGPDZUORM-YVWKXTFCSA-N 0 3 361.486 2.473 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000330178215 554078870 /nfs/dbraw/zinc/07/88/70/554078870.db2.gz DLMHMRJSLNAJPS-QFBILLFUSA-N 0 3 373.497 2.132 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)NC(=O)CCc2ccccc2)CC1 ZINC000507646614 561736567 /nfs/dbraw/zinc/73/65/67/561736567.db2.gz ZEBDXRAPHIJFRW-QGZVFWFLSA-N 0 3 357.498 2.281 20 30 FEEDHN CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000330197796 554083709 /nfs/dbraw/zinc/08/37/09/554083709.db2.gz SHAWNGRDUJBLGG-KBXCAEBGSA-N 0 3 351.491 2.233 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC[C@@H]2CCCN2C2CCCCC2)cc1C#N ZINC000330211560 554086285 /nfs/dbraw/zinc/08/62/85/554086285.db2.gz JHONHKQRRBCMFA-KRWDZBQOSA-N 0 3 362.499 2.337 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)CCN1C ZINC000330257978 554094617 /nfs/dbraw/zinc/09/46/17/554094617.db2.gz RAMBWVLPFHNGLD-JFIYKMOQSA-N 0 3 353.507 2.433 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1=O ZINC000330264847 554095813 /nfs/dbraw/zinc/09/58/13/554095813.db2.gz YKFHTXMPBBTXAK-QZTJIDSGSA-N 0 3 358.486 2.336 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CCN1C ZINC000330291567 554100624 /nfs/dbraw/zinc/10/06/24/554100624.db2.gz GNSGOBHGZDBFBB-IXDOHACOSA-N 0 3 358.486 2.368 20 30 FEEDHN N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCCN1CC1CCCCC1 ZINC000330298759 554101646 /nfs/dbraw/zinc/10/16/46/554101646.db2.gz HPCKZWSLYDHKIR-MRXNPFEDSA-N 0 3 362.499 2.276 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000330331172 554106384 /nfs/dbraw/zinc/10/63/84/554106384.db2.gz NWYSOIMNABAVTQ-JFIYKMOQSA-N 0 3 363.506 2.408 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCOC[C@@H]2c2nc(C)cs2)CC1 ZINC000330354486 554110476 /nfs/dbraw/zinc/11/04/76/554110476.db2.gz PPDVFKWZXJXMLJ-OAHLLOKOSA-N 0 3 352.504 2.266 20 30 FEEDHN CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000331076764 554209457 /nfs/dbraw/zinc/20/94/57/554209457.db2.gz WNWKDFVSTHFKOY-KRWDZBQOSA-N 0 3 352.523 2.213 20 30 FEEDHN Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000331228866 554233658 /nfs/dbraw/zinc/23/36/58/554233658.db2.gz CGMAJRVAZUZTIL-CJNGLKHVSA-N 0 3 367.515 2.500 20 30 FEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308857 554245107 /nfs/dbraw/zinc/24/51/07/554245107.db2.gz XLAWEGWGLYKBEM-NWDGAFQWSA-N 0 3 357.380 2.368 20 30 FEEDHN CN(C)[C@@]1(CNC(=O)Nc2cn(C)nc2C(F)(F)F)CCSC1 ZINC000331334939 554247914 /nfs/dbraw/zinc/24/79/14/554247914.db2.gz XIZYDDDRYURERE-GFCCVEGCSA-N 0 3 351.398 2.202 20 30 FEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000331350660 554249798 /nfs/dbraw/zinc/24/97/98/554249798.db2.gz YMTNLAODYDEFBO-QWRGUYRKSA-N 0 3 370.393 2.214 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)ccc1C(F)(F)F ZINC000332322170 554425090 /nfs/dbraw/zinc/42/50/90/554425090.db2.gz ZUFBUWNETWDOTJ-HUUCEWRRSA-N 0 3 373.400 2.482 20 30 FEEDHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(F)(C#N)CC1 ZINC000510936414 561851532 /nfs/dbraw/zinc/85/15/32/561851532.db2.gz PFUMOKLNCFJWML-AEFFLSMTSA-N 0 3 358.461 2.093 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000348573144 554689023 /nfs/dbraw/zinc/68/90/23/554689023.db2.gz NAUSSXFCJHIFRR-ZZJWQFMZSA-N 0 3 369.465 2.305 20 30 FEEDHN CSC1c2cc(-c3noc(-c4cnn(C)c4C#N)n3)ccc2NC1=O ZINC000350120363 554761438 /nfs/dbraw/zinc/76/14/38/554761438.db2.gz XLHPIBXNLVEFNA-ZDUSSCGKSA-N 0 3 352.379 2.365 20 30 FEEDHN C=CCNC(=O)Cc1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000350727130 554810202 /nfs/dbraw/zinc/81/02/02/554810202.db2.gz SESFMBSAYCVAOD-HNNXBMFYSA-N 0 3 358.417 2.433 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@]4(CC[C@@H](C)C4)C3)CC2)o1 ZINC000360682891 554885270 /nfs/dbraw/zinc/88/52/70/554885270.db2.gz WSJYFKPWUZVCGP-QRWLVFNGSA-N 0 3 371.485 2.015 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000361288073 554914904 /nfs/dbraw/zinc/91/49/04/554914904.db2.gz OEIPWMBDCFFWLL-OALUTQOASA-N 0 3 354.454 2.119 20 30 FEEDHN CS(=O)(=O)N1CCC[C@@H](CN2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000362107618 554950714 /nfs/dbraw/zinc/95/07/14/554950714.db2.gz XBZJQPRQKKONIF-KRWDZBQOSA-N 0 3 359.495 2.319 20 30 FEEDHN O[C@@H]1CCC[C@H]1N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000362154148 554952628 /nfs/dbraw/zinc/95/26/28/554952628.db2.gz ICDZCWAQCSNKPM-QZTJIDSGSA-N 0 3 368.399 2.468 20 30 FEEDHN CN(C)C[C@@H]1CN(CC(=O)Nc2sccc2C#N)c2ccccc2O1 ZINC000362163390 554953800 /nfs/dbraw/zinc/95/38/00/554953800.db2.gz SIXVKUAQJQWEPT-CQSZACIVSA-N 0 3 356.451 2.387 20 30 FEEDHN CC1CCN(CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000362712182 554983043 /nfs/dbraw/zinc/98/30/43/554983043.db2.gz VFSUFALMLIWZBH-LJQANCHMSA-N 0 3 356.470 2.373 20 30 FEEDHN N#CCCn1cc(CNC[C@H]2CN3CCC[C@H]3CO2)c(-c2ccccc2)n1 ZINC000362719978 554983438 /nfs/dbraw/zinc/98/34/38/554983438.db2.gz QSEXEWYMBLTIPS-PMACEKPBSA-N 0 3 365.481 2.417 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](N3CCCCC3=O)C2)CC1 ZINC000362743132 554985920 /nfs/dbraw/zinc/98/59/20/554985920.db2.gz ZOLBJMQKKCDHJL-SFHVURJKSA-N 0 3 362.518 2.213 20 30 FEEDHN C=CCn1c(C)cc(C(=O)CN2CCN([C@@H]3CCCN(C)C3)CC2)c1C ZINC000363219852 555057193 /nfs/dbraw/zinc/05/71/93/555057193.db2.gz WNCOQOVRPSUOMG-LJQANCHMSA-N 0 3 358.530 2.185 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363854975 555200106 /nfs/dbraw/zinc/20/01/06/555200106.db2.gz HTJIBGVLANMFHN-MAUKXSAKSA-N 0 3 350.422 2.377 20 30 FEEDHN C#CCOc1ccc(CN[C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1 ZINC000363979836 555226405 /nfs/dbraw/zinc/22/64/05/555226405.db2.gz UKOYAWSVOHVFMN-HXUWFJFHSA-N 0 3 364.449 2.078 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000364736646 555389488 /nfs/dbraw/zinc/38/94/88/555389488.db2.gz LXCRIIHASUEZND-HNNXBMFYSA-N 0 3 361.511 2.367 20 30 FEEDHN CN(C)C[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)c2ccccc2O1 ZINC000366185219 555775351 /nfs/dbraw/zinc/77/53/51/555775351.db2.gz ZOLFMWLAFWUMQM-KRWDZBQOSA-N 0 3 371.462 2.217 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000366299200 555804756 /nfs/dbraw/zinc/80/47/56/555804756.db2.gz BQGQFWYAWWWYFJ-SFHVURJKSA-N 0 3 374.448 2.184 20 30 FEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000366469912 555853300 /nfs/dbraw/zinc/85/33/00/555853300.db2.gz UGEBBBUBJIZGIN-XFQXTVEOSA-N 0 3 353.422 2.037 20 30 FEEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C1CCN(Cc2ccncc2)CC1 ZINC000367395958 556037211 /nfs/dbraw/zinc/03/72/11/556037211.db2.gz FEEVRHHTRGDIBG-UHFFFAOYSA-N 0 3 363.465 2.488 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000367626698 556100340 /nfs/dbraw/zinc/10/03/40/556100340.db2.gz DQOLSSIGCWHMLU-KRWDZBQOSA-N 0 3 368.456 2.128 20 30 FEEDHN Cc1cc(S(=O)(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000367686064 556114118 /nfs/dbraw/zinc/11/41/18/556114118.db2.gz IMWNVFJPHYQQTD-QZTJIDSGSA-N 0 3 359.426 2.121 20 30 FEEDHN CC1(C#N)CCN(C(=O)NC2CCN(CCc3ccncc3)CC2)CC1 ZINC000367935170 556176829 /nfs/dbraw/zinc/17/68/29/556176829.db2.gz VZFWNWSHLGZGRR-UHFFFAOYSA-N 0 3 355.486 2.424 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)NCC1(N2CCN(C)CC2)CCCCCC1 ZINC000368789616 556413151 /nfs/dbraw/zinc/41/31/51/556413151.db2.gz FSSJTXUDTCZAHB-SFHVURJKSA-N 0 3 351.535 2.424 20 30 FEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCN(c2cnccn2)CC1 ZINC000369297819 556567671 /nfs/dbraw/zinc/56/76/71/556567671.db2.gz IIKGHQRRIXUPQW-GOSISDBHSA-N 0 3 374.448 2.158 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000516207621 562036008 /nfs/dbraw/zinc/03/60/08/562036008.db2.gz HCGSDSUCOKUXKW-HNNXBMFYSA-N 0 3 365.437 2.111 20 30 FEEDHN C[C@H](CCO)C1(CNCCS(=O)(=O)c2cccc(C#N)c2)CCC1 ZINC000516291099 562038832 /nfs/dbraw/zinc/03/88/32/562038832.db2.gz IJWGLCIWRCZBPZ-OAHLLOKOSA-N 0 3 350.484 2.110 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CN3CCCC3=O)CC2)CC1 ZINC000369742823 556682788 /nfs/dbraw/zinc/68/27/88/556682788.db2.gz VJDPLSACDNAOPU-UHFFFAOYSA-N 0 3 362.518 2.071 20 30 FEEDHN Cc1nc(C)n(C[C@H]2CCCN2CCC(=O)Nc2sccc2C#N)n1 ZINC000369784587 556693750 /nfs/dbraw/zinc/69/37/50/556693750.db2.gz PEQXZTLXOZNPNZ-OAHLLOKOSA-N 0 3 358.471 2.321 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000516645999 562052383 /nfs/dbraw/zinc/05/23/83/562052383.db2.gz ZXCOBBYZJSWIPU-HEHGZKQESA-N 0 3 370.266 2.240 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370463089 556879546 /nfs/dbraw/zinc/87/95/46/556879546.db2.gz RKCFFQCAVVVYTJ-ICSRJNTNSA-N 0 3 372.513 2.369 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371350071 557156242 /nfs/dbraw/zinc/15/62/42/557156242.db2.gz PIJTYWLDFCFOPJ-LJQANCHMSA-N 0 3 364.578 2.290 20 30 FEEDHN CN1CCC(Oc2cc(NC(=O)COc3ccccc3C#N)ccn2)CC1 ZINC000371423770 557182508 /nfs/dbraw/zinc/18/25/08/557182508.db2.gz KVXRBRNFRFMDJZ-UHFFFAOYSA-N 0 3 366.421 2.444 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C)C4(CCC4)C3)CC2)o1 ZINC000371440564 557188061 /nfs/dbraw/zinc/18/80/61/557188061.db2.gz RZZXFOOZWUPDTK-HNNXBMFYSA-N 0 3 371.485 2.015 20 30 FEEDHN N#Cc1cnn2cc(CNCCc3nc(C(F)(F)F)cs3)cnc12 ZINC000518534551 562113884 /nfs/dbraw/zinc/11/38/84/562113884.db2.gz JCKBMYHPGGGESI-UHFFFAOYSA-N 0 3 352.345 2.409 20 30 FEEDHN CC(=O)Nc1ccc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000518758094 562117689 /nfs/dbraw/zinc/11/76/89/562117689.db2.gz RKDIGKFNYQMNAJ-UHFFFAOYSA-N 0 3 371.462 2.123 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CN1C1CC1 ZINC000372348830 557447383 /nfs/dbraw/zinc/44/73/83/557447383.db2.gz YHTNVFWTEFOCEM-BJZITVGISA-N 0 3 354.454 2.266 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000372353634 557448294 /nfs/dbraw/zinc/44/82/94/557448294.db2.gz AYQNEBSMZQUARZ-KSSFIOAISA-N 0 3 359.449 2.187 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000372462705 557477627 /nfs/dbraw/zinc/47/76/27/557477627.db2.gz IRSHHPHPDITEHY-VXKWHMMOSA-N 0 3 364.493 2.439 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](c2ccn(C)n2)c2ccc(F)cc2)CC1 ZINC000373151803 557639027 /nfs/dbraw/zinc/63/90/27/557639027.db2.gz JKBRMJZIJNXADA-IBGZPJMESA-N 0 3 354.429 2.110 20 30 FEEDHN CN1CCC(n2ccc(=NC(=O)/C=C/c3ccc(OCC#N)cc3)[nH]2)CC1 ZINC000373237377 557655893 /nfs/dbraw/zinc/65/58/93/557655893.db2.gz QIOWCMIFCYGTIT-QPJJXVBHSA-N 0 3 365.437 2.704 20 30 FEEDHN Cc1ccc(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2=O)o1 ZINC000373407050 557688322 /nfs/dbraw/zinc/68/83/22/557688322.db2.gz YAFQEIILOOXFOC-KRWDZBQOSA-N 0 3 362.389 2.017 20 30 FEEDHN CN(C)[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H]1O ZINC000520251348 562151838 /nfs/dbraw/zinc/15/18/38/562151838.db2.gz BESSKVCWFGJRNC-ROUUACIJSA-N 0 3 367.474 2.456 20 30 FEEDHN C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000374319227 557864687 /nfs/dbraw/zinc/86/46/87/557864687.db2.gz WQVRJXWPZGWWIW-TVYZCSMLSA-N 0 3 352.482 2.056 20 30 FEEDHN C[C@H](C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)N1CCCCCC1 ZINC000374385313 557876435 /nfs/dbraw/zinc/87/64/35/557876435.db2.gz KWPYUHQBKZIUNZ-VWKPWSFCSA-N 0 3 366.465 2.123 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](N2CCCCCC2)C1 ZINC000374455607 557886410 /nfs/dbraw/zinc/88/64/10/557886410.db2.gz BLTDQXMKRPCBQC-SJORKVTESA-N 0 3 356.536 2.053 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000374580517 557902391 /nfs/dbraw/zinc/90/23/91/557902391.db2.gz QUVQXIODSIEAEF-ZDUSSCGKSA-N 0 3 356.455 2.200 20 30 FEEDHN C[C@@H](NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)C1=CCN(C)CC1 ZINC000374735075 557923028 /nfs/dbraw/zinc/92/30/28/557923028.db2.gz PAWXSVKLWBVWLQ-QGZVFWFLSA-N 0 3 367.497 2.430 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN4CCC3CC4)C2)c(F)c1 ZINC000375221228 557994082 /nfs/dbraw/zinc/99/40/82/557994082.db2.gz XYWACDDJROILOK-INIZCTEOSA-N 0 3 371.460 2.156 20 30 FEEDHN COC(=O)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000375905159 558097026 /nfs/dbraw/zinc/09/70/26/558097026.db2.gz NCVIBCQWGMYBAQ-SJORKVTESA-N 0 3 351.406 2.042 20 30 FEEDHN COC(=O)[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000375905157 558097219 /nfs/dbraw/zinc/09/72/19/558097219.db2.gz NCVIBCQWGMYBAQ-IAGOWNOFSA-N 0 3 351.406 2.042 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000375907075 558097505 /nfs/dbraw/zinc/09/75/05/558097505.db2.gz RBVQHKZEGORMPJ-LJQANCHMSA-N 0 3 351.498 2.411 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375988730 558110477 /nfs/dbraw/zinc/11/04/77/558110477.db2.gz GOQDRKFYBFFTRL-LJQANCHMSA-N 0 3 364.449 2.212 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000376112088 558128478 /nfs/dbraw/zinc/12/84/78/558128478.db2.gz JNPXXNUEKMWLNZ-TXPKVOOTSA-N 0 3 351.491 2.005 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1 ZINC000376383764 558166262 /nfs/dbraw/zinc/16/62/62/558166262.db2.gz IEJQPFIUEYHBOR-ACBHZAAOSA-N 0 3 361.534 2.126 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000376578931 558193334 /nfs/dbraw/zinc/19/33/34/558193334.db2.gz DOESJULNPRESID-HZPDHXFCSA-N 0 3 357.502 2.265 20 30 FEEDHN C=CCOc1ccc(CNC(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc1 ZINC000376614734 558198211 /nfs/dbraw/zinc/19/82/11/558198211.db2.gz RAPIGAQONSGUHU-UHFFFAOYSA-N 0 3 369.469 3.036 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000376747145 558216447 /nfs/dbraw/zinc/21/64/47/558216447.db2.gz FUNLJNMPVVNTDV-QGZVFWFLSA-N 0 3 353.470 2.017 20 30 FEEDHN C=CCOc1ccc(CNC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1 ZINC000377194291 558285637 /nfs/dbraw/zinc/28/56/37/558285637.db2.gz DKRHWIOEHQUXAK-IBGZPJMESA-N 0 3 372.513 2.173 20 30 FEEDHN C=CCOc1ccc(CNC(=O)N2CCC[C@@H]2CN2CCC[C@@H]2CO)cc1 ZINC000377226385 558293554 /nfs/dbraw/zinc/29/35/54/558293554.db2.gz VYSLHEQDENWSIH-RTBURBONSA-N 0 3 373.497 2.382 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000377400559 558333630 /nfs/dbraw/zinc/33/36/30/558333630.db2.gz QEJRDWURJKACEN-CVAIRZPRSA-N 0 3 368.481 2.277 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCN(C(=O)CC)CC1)C(C)C ZINC000377443709 558342009 /nfs/dbraw/zinc/34/20/09/558342009.db2.gz TZSWNSKYEDEMBW-GOSISDBHSA-N 0 3 364.534 2.339 20 30 FEEDHN CN1CC[C@H](NC[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000377644496 558384865 /nfs/dbraw/zinc/38/48/65/558384865.db2.gz FNFCGUMNMPVGFD-GIVPXCGWSA-N 0 3 369.440 2.472 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000377689793 558397784 /nfs/dbraw/zinc/39/77/84/558397784.db2.gz YJVXBMBSNXGXSH-GOSISDBHSA-N 0 3 374.460 2.271 20 30 FEEDHN COCCCN(C)CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000377881076 558440996 /nfs/dbraw/zinc/44/09/96/558440996.db2.gz USDBDFDFQSXYJI-RBUKOAKNSA-N 0 3 358.486 2.436 20 30 FEEDHN C=CCCO[C@H](C)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000522890149 562205597 /nfs/dbraw/zinc/20/55/97/562205597.db2.gz OKECFUJCTIVSFT-WBVHZDCISA-N 0 3 359.470 2.304 20 30 FEEDHN C[C@@H](CC[N-]S(=O)(=O)c1cccnc1C#N)[N@H+](C)Cc1ccccc1 ZINC000379691439 558602733 /nfs/dbraw/zinc/60/27/33/558602733.db2.gz DNJIEWSDUMEYBQ-HNNXBMFYSA-N 0 3 358.467 2.142 20 30 FEEDHN C[C@@H](CC[N-]S(=O)(=O)c1cccnc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000379691439 558602735 /nfs/dbraw/zinc/60/27/35/558602735.db2.gz DNJIEWSDUMEYBQ-HNNXBMFYSA-N 0 3 358.467 2.142 20 30 FEEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1 ZINC000410433471 558757758 /nfs/dbraw/zinc/75/77/58/558757758.db2.gz LOAQMSQRDXYZBB-UHFFFAOYSA-N 0 3 362.518 2.108 20 30 FEEDHN C[C@@H]1CCCN1C(=O)CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000525270805 562244635 /nfs/dbraw/zinc/24/46/35/562244635.db2.gz FIBKDQFCGBMPOA-GOSISDBHSA-N 0 3 354.498 2.467 20 30 FEEDHN Cc1cc(NC(=O)C(=O)NCc2ccc(C#N)c(F)c2)ccc1CN(C)C ZINC000411590788 558924967 /nfs/dbraw/zinc/92/49/67/558924967.db2.gz QEJKBFBGCSIHJD-UHFFFAOYSA-N 0 3 368.412 2.322 20 30 FEEDHN Cc1cc(NC(=O)C(=O)Nc2sccc2C#N)ccc1OCCN(C)C ZINC000411680219 558942481 /nfs/dbraw/zinc/94/24/81/558942481.db2.gz XHZRZGUNKMRZOQ-UHFFFAOYSA-N 0 3 372.450 2.446 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411965494 558996247 /nfs/dbraw/zinc/99/62/47/558996247.db2.gz ADDSAAHXHOQBNZ-MSOLQXFVSA-N 0 3 365.433 2.147 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000413311907 559097900 /nfs/dbraw/zinc/09/79/00/559097900.db2.gz JICPUAQHFGASAZ-ICSRJNTNSA-N 0 3 358.530 2.357 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1OCC ZINC000413592127 559118926 /nfs/dbraw/zinc/11/89/26/559118926.db2.gz JSTPKFZRRRQXIY-YSTOQKLRSA-N 0 3 373.497 2.166 20 30 FEEDHN C=CC[C@@H](C)NC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413841855 559134272 /nfs/dbraw/zinc/13/42/72/559134272.db2.gz YLCGXBRPVCNEHU-OAHLLOKOSA-N 0 3 358.486 2.148 20 30 FEEDHN C=CCc1cc(CNCC2(CS(C)(=O)=O)CCC2)cc(OC)c1O ZINC000414557246 559171287 /nfs/dbraw/zinc/17/12/87/559171287.db2.gz PUFJQGJVQDPLSG-UHFFFAOYSA-N 0 3 353.484 2.434 20 30 FEEDHN C[C@@H](C#N)CN(C(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C1CC1 ZINC000415151675 559209511 /nfs/dbraw/zinc/20/95/11/559209511.db2.gz AQUCIPPHTZNNNC-JTQLQIEISA-N 0 3 368.359 2.253 20 30 FEEDHN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](CN)C3CC3)cc2)c1 ZINC000415453365 559238696 /nfs/dbraw/zinc/23/86/96/559238696.db2.gz NCPJBKCRAZBJBK-GOSISDBHSA-N 0 3 364.405 2.143 20 30 FEEDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415503065 559244475 /nfs/dbraw/zinc/24/44/75/559244475.db2.gz UKVSCYOCMGHHBA-GFCCVEGCSA-N 0 3 356.348 2.149 20 30 FEEDHN CNCc1ccccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000415902902 559281924 /nfs/dbraw/zinc/28/19/24/559281924.db2.gz POTDJVSUZKHTQP-MRXNPFEDSA-N 0 3 351.410 2.358 20 30 FEEDHN COc1ccc(CN2C[C@@H](C)N(CCO)C[C@H]2C)cc1OCCCC#N ZINC000418123742 559391012 /nfs/dbraw/zinc/39/10/12/559391012.db2.gz YPNUTKONAKRMAN-IAGOWNOFSA-N 0 3 361.486 2.265 20 30 FEEDHN C[C@H](NC(=O)C(=O)N(C)[C@@H](C)CN)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419208274 559432684 /nfs/dbraw/zinc/43/26/84/559432684.db2.gz NYCGNOOZOIYIOD-GJZGRUSLSA-N 0 3 364.449 2.208 20 30 FEEDHN C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)CN1CCO ZINC000419327462 559437415 /nfs/dbraw/zinc/43/74/15/559437415.db2.gz CZZJJRGNCIKBAD-LSDHHAIUSA-N 0 3 356.388 2.324 20 30 FEEDHN C[C@H]1[C@@H](C)N(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1C ZINC000419382944 559440362 /nfs/dbraw/zinc/44/03/62/559440362.db2.gz ZMSXDGOEJRPPET-QBPKDAKJSA-N 0 3 360.527 2.433 20 30 FEEDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000420420493 559486797 /nfs/dbraw/zinc/48/67/97/559486797.db2.gz JVIKCGPPBPOWAE-JTQLQIEISA-N 0 3 360.277 2.117 20 30 FEEDHN Cc1c(Cl)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1C ZINC000421433727 559542368 /nfs/dbraw/zinc/54/23/68/559542368.db2.gz NDIIBIOCAWVABM-UHFFFAOYSA-N 0 3 359.861 2.458 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422105609 559565466 /nfs/dbraw/zinc/56/54/66/559565466.db2.gz QEWOKKRRHVFXRO-ZDUSSCGKSA-N 0 3 369.918 2.469 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2cnccc2C(C)(C)C)CC1 ZINC000422302757 559577073 /nfs/dbraw/zinc/57/70/73/559577073.db2.gz YQEGFSYYLRNUBB-UHFFFAOYSA-N 0 3 372.513 2.152 20 30 FEEDHN CC[C@H](C(=O)N1CCC(NC(=O)[C@H](N)CCCC#N)CC1)c1ccccc1 ZINC000424109961 559654992 /nfs/dbraw/zinc/65/49/92/559654992.db2.gz BNZJVQBFLKDENQ-RBUKOAKNSA-N 0 3 370.497 2.309 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000424134960 559655779 /nfs/dbraw/zinc/65/57/79/559655779.db2.gz LIJWNPAVLUXEFY-MRXNPFEDSA-N 0 3 352.841 2.144 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000424140581 559656008 /nfs/dbraw/zinc/65/60/08/559656008.db2.gz WINCGQXUBJRTSE-ZDUSSCGKSA-N 0 3 356.257 2.058 20 30 FEEDHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424151040 559656281 /nfs/dbraw/zinc/65/62/81/559656281.db2.gz GZODLJXHRDPETK-KGLIPLIRSA-N 0 3 350.850 2.065 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000424175786 559656668 /nfs/dbraw/zinc/65/66/68/559656668.db2.gz ODQWAJSJYMQPFU-OAHLLOKOSA-N 0 3 354.376 2.375 20 30 FEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000424328799 559661605 /nfs/dbraw/zinc/66/16/05/559661605.db2.gz OSHOWUNQZWVQQA-JBLDHEPKSA-N 0 3 372.288 2.439 20 30 FEEDHN C=CCCn1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)nn1 ZINC000424717119 559674441 /nfs/dbraw/zinc/67/44/41/559674441.db2.gz WDUGDHWYGFVCSY-UHFFFAOYSA-N 0 3 355.442 2.063 20 30 FEEDHN C=CCCn1cc(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)nn1 ZINC000424781002 559676486 /nfs/dbraw/zinc/67/64/86/559676486.db2.gz WLOHJEXVFOYSDC-LJQANCHMSA-N 0 3 353.470 2.495 20 30 FEEDHN C=CCn1cc(CNC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000425866823 559723337 /nfs/dbraw/zinc/72/33/37/559723337.db2.gz BXMLNZYGZGMXPZ-IBGZPJMESA-N 0 3 368.485 2.270 20 30 FEEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000427688631 559760458 /nfs/dbraw/zinc/76/04/58/559760458.db2.gz DFSLGZXAKVVQRK-MRXNPFEDSA-N 0 3 372.469 2.060 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428771196 559782824 /nfs/dbraw/zinc/78/28/24/559782824.db2.gz HMESZXYBEGVBMY-UTKZUKDTSA-N 0 3 356.466 2.392 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)c2ccccc2)cc1 ZINC000429947803 559809503 /nfs/dbraw/zinc/80/95/03/559809503.db2.gz UTYXRPJMVMOCQJ-DYVFJYSZSA-N 0 3 373.434 2.227 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000527344316 562286128 /nfs/dbraw/zinc/28/61/28/562286128.db2.gz NCYAVRZUUCDNEB-UHFFFAOYSA-N 0 3 352.394 2.206 20 30 FEEDHN CN1CC=C(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000527352750 562286232 /nfs/dbraw/zinc/28/62/32/562286232.db2.gz LPTCGWRCVLTVRQ-UHFFFAOYSA-N 0 3 369.469 2.204 20 30 FEEDHN CN(C)CCn1c2cc(NC(=O)c3cscc3C#N)ccc2oc1=O ZINC000432393793 559857903 /nfs/dbraw/zinc/85/79/03/559857903.db2.gz WNHKCTASFMGRFH-UHFFFAOYSA-N 0 3 356.407 2.342 20 30 FEEDHN N#CCCn1cc(CNCCNC(=O)c2ccccc2)c(-c2ccncc2)n1 ZINC000433306718 559876443 /nfs/dbraw/zinc/87/64/43/559876443.db2.gz SUAPLQBJTMZLRA-UHFFFAOYSA-N 0 3 374.448 2.378 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC000433372929 559879116 /nfs/dbraw/zinc/87/91/16/559879116.db2.gz QLJQKQWWERTOEP-WMZOPIPTSA-N 0 3 356.397 2.454 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000437041308 559959789 /nfs/dbraw/zinc/95/97/89/559959789.db2.gz LLOKWMUCZFEISD-FUHWJXTLSA-N 0 3 359.470 2.093 20 30 FEEDHN N#CC1(NC(=O)COc2ccc(OCCN3CCCCC3)cc2)CCC1 ZINC000438905018 559985552 /nfs/dbraw/zinc/98/55/52/559985552.db2.gz OSZHTLZCWCEEIA-UHFFFAOYSA-N 0 3 357.454 2.493 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CCC(N3CCCCC3)CC2)c(F)c1 ZINC000440058992 560004014 /nfs/dbraw/zinc/00/40/14/560004014.db2.gz DYFSRRJKWMHVKK-UHFFFAOYSA-N 0 3 365.474 2.477 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1C ZINC000442151248 560044976 /nfs/dbraw/zinc/04/49/76/560044976.db2.gz INXLALGEWUCRGS-GWCFXTLKSA-N 0 3 368.359 2.114 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000443357938 560081833 /nfs/dbraw/zinc/08/18/33/560081833.db2.gz FOBMNRIMZAKIFE-MCIONIFRSA-N 0 3 353.463 2.342 20 30 FEEDHN C[C@H]1C[C@]1(C#N)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000448739082 560197249 /nfs/dbraw/zinc/19/72/49/560197249.db2.gz SHOOGDGUORNWNR-GHTZIAJQSA-N 0 3 354.498 2.250 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448883353 560204657 /nfs/dbraw/zinc/20/46/57/560204657.db2.gz QPQUJDGVJQFUKI-ZBFHGGJFSA-N 0 3 374.872 2.117 20 30 FEEDHN CC#CCCNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449226671 560220844 /nfs/dbraw/zinc/22/08/44/560220844.db2.gz NGHPTEKGPQCSAM-LBPRGKRZSA-N 0 3 353.260 2.465 20 30 FEEDHN CC1(C#N)CCC([NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000449300091 560224241 /nfs/dbraw/zinc/22/42/41/560224241.db2.gz CNQGPRNLIJCPEQ-UHFFFAOYSA-N 0 3 357.426 2.305 20 30 FEEDHN COc1ccc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1OCCCC#N ZINC000449536607 560232993 /nfs/dbraw/zinc/23/29/93/560232993.db2.gz FPMNFMGFLLOCQF-CALCHBBNSA-N 0 3 361.486 2.265 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)n3C)CC2)C[C@H](C)O1 ZINC000450067901 560249787 /nfs/dbraw/zinc/24/97/87/560249787.db2.gz QQGPGAFDTNXSIN-IYBDPMFKSA-N 0 3 358.486 2.248 20 30 FEEDHN C[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)CN1CCCC1 ZINC000451093867 560286728 /nfs/dbraw/zinc/28/67/28/560286728.db2.gz ZIYFUBUKDLWEKS-ZDUSSCGKSA-N 0 3 355.891 2.416 20 30 FEEDHN CC(C)[C@@H](CO)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000451603886 560317010 /nfs/dbraw/zinc/31/70/10/560317010.db2.gz XURNTQZNAYPJGD-MSOLQXFVSA-N 0 3 352.500 2.211 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451904111 560336138 /nfs/dbraw/zinc/33/61/38/560336138.db2.gz JNULCSXGTASVIP-ZMSDIMECSA-N 0 3 359.388 2.400 20 30 FEEDHN C=CCC1(CNS(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CCCC1 ZINC000451953074 560340339 /nfs/dbraw/zinc/34/03/39/560340339.db2.gz RIPXACLGVKXGTP-UHFFFAOYSA-N 0 3 368.547 2.476 20 30 FEEDHN C=CCn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453455664 560387095 /nfs/dbraw/zinc/38/70/95/560387095.db2.gz XQBSLVJNYYCZHC-HZPDHXFCSA-N 0 3 351.495 2.107 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)c1 ZINC000453610660 560390972 /nfs/dbraw/zinc/39/09/72/560390972.db2.gz KDXKBELNRVPRTL-LJQANCHMSA-N 0 3 364.449 2.094 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1 ZINC000453614892 560391281 /nfs/dbraw/zinc/39/12/81/560391281.db2.gz PVGSLFRYDCGJCG-BZUAXINKSA-N 0 3 356.470 2.288 20 30 FEEDHN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)N(C)C ZINC000453650097 560393449 /nfs/dbraw/zinc/39/34/49/560393449.db2.gz WGAPVMYQUJWBMY-OAHLLOKOSA-N 0 3 365.865 2.028 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)c1 ZINC000453675066 560395688 /nfs/dbraw/zinc/39/56/88/560395688.db2.gz RLWACYWVLLPMMU-GOSISDBHSA-N 0 3 356.470 2.432 20 30 FEEDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2cccc(CC#N)c2)o1 ZINC000453707239 560398488 /nfs/dbraw/zinc/39/84/88/560398488.db2.gz JHSUKEQNSDHEEL-UHFFFAOYSA-N 0 3 368.437 2.183 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000454535960 560448722 /nfs/dbraw/zinc/44/87/22/560448722.db2.gz FZQONSYYJBJXIE-CVEARBPZSA-N 0 3 370.497 2.302 20 30 FEEDHN C[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)N(C)C ZINC000455236844 560475079 /nfs/dbraw/zinc/47/50/79/560475079.db2.gz KBQCLBCWIOWKGL-AWEZNQCLSA-N 0 3 357.458 2.341 20 30 FEEDHN CN(C)CCn1cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)ccc1=O ZINC000455989273 560503657 /nfs/dbraw/zinc/50/36/57/560503657.db2.gz CIVGFQUQDVAFIO-UHFFFAOYSA-N 0 3 366.465 2.489 20 30 FEEDHN CN1CCN(CCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1(C)C ZINC000456069638 560505949 /nfs/dbraw/zinc/50/59/49/560505949.db2.gz PNJVKZKALPUXCM-UHFFFAOYSA-N 0 3 356.514 2.269 20 30 FEEDHN Cc1cc(C(=O)NCCc2ccc(OCCN(C)C)cc2)ncc1C#N ZINC000457532260 560572635 /nfs/dbraw/zinc/57/26/35/560572635.db2.gz HMKMWHUNRXABKO-UHFFFAOYSA-N 0 3 352.438 2.175 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)C2CCN(CC(F)(F)F)CC2)CC1 ZINC000458333614 560615359 /nfs/dbraw/zinc/61/53/59/560615359.db2.gz LINVRSFTZFOVQW-UHFFFAOYSA-N 0 3 362.440 2.305 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)NCC(C)(C)CC#N)CC2)C[C@H](C)O1 ZINC000459251980 560676164 /nfs/dbraw/zinc/67/61/64/560676164.db2.gz BGCDEAPQLZJWQG-IYBDPMFKSA-N 0 3 350.507 2.457 20 30 FEEDHN CC(C)[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCCC1 ZINC000459527052 560691973 /nfs/dbraw/zinc/69/19/73/560691973.db2.gz IZLLMEYJGOYFTA-SFHVURJKSA-N 0 3 364.511 2.499 20 30 FEEDHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000459995579 560727400 /nfs/dbraw/zinc/72/74/00/560727400.db2.gz YSHBGWMAFHPSPZ-UHFFFAOYSA-N 0 3 372.513 2.343 20 30 FEEDHN N#Cc1cc(NCCCCN2CCN(CCO)CC2)ccc1C(F)(F)F ZINC000463657479 560820578 /nfs/dbraw/zinc/82/05/78/560820578.db2.gz VKCJJORVIZWFNN-UHFFFAOYSA-N 0 3 370.419 2.379 20 30 FEEDHN N#CC(C(=O)c1cccc(OCC(N)=O)c1)c1cc(C(F)(F)F)ccn1 ZINC000464411906 560841053 /nfs/dbraw/zinc/84/10/53/560841053.db2.gz OSHGJBJGZVSSQG-ZDUSSCGKSA-N 0 3 363.295 2.455 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCN1C ZINC000466040754 560879066 /nfs/dbraw/zinc/87/90/66/560879066.db2.gz VFURQYKZUALQMQ-ZBFHGGJFSA-N 0 3 359.449 2.012 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000466761543 560894896 /nfs/dbraw/zinc/89/48/96/560894896.db2.gz DFTFNROLNIUTIJ-RDTXWAMCSA-N 0 3 371.460 2.012 20 30 FEEDHN C[C@@H](CO)N1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000470412174 560981044 /nfs/dbraw/zinc/98/10/44/560981044.db2.gz TYNZFBIEQWPKOA-LBPRGKRZSA-N 0 3 370.375 2.497 20 30 FEEDHN CNC(=O)c1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000470752905 560988783 /nfs/dbraw/zinc/98/87/83/560988783.db2.gz BFDNSAZEJJWFLI-LJQANCHMSA-N 0 3 360.417 2.259 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(=O)Nc2cccc(F)c2)cc1 ZINC000470889085 560992897 /nfs/dbraw/zinc/99/28/97/560992897.db2.gz OSTNMVIYWWDBMC-HNNXBMFYSA-N 0 3 350.353 2.135 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N(CCO)Cc2cccc(F)c2)cc1 ZINC000473234747 561045150 /nfs/dbraw/zinc/04/51/50/561045150.db2.gz FXNCEHKLJNFLKI-SFHVURJKSA-N 0 3 351.381 2.401 20 30 FEEDHN CN(C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000473909286 561060488 /nfs/dbraw/zinc/06/04/88/561060488.db2.gz AJTPEWISKHJPGD-KRWDZBQOSA-N 0 3 353.463 2.486 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000528758616 562346226 /nfs/dbraw/zinc/34/62/26/562346226.db2.gz GBFRAJKLPAIXAN-KYZVSKTDSA-N 0 3 353.426 2.084 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)cc1 ZINC000529084300 562359300 /nfs/dbraw/zinc/35/93/00/562359300.db2.gz ZDYDFMRWEGJWDX-QFSBIZTOSA-N 0 3 363.439 2.061 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000530231631 562403059 /nfs/dbraw/zinc/40/30/59/562403059.db2.gz SBXMUVGVXQMUTN-DLBZAZTESA-N 0 3 373.403 2.445 20 30 FEEDHN CC1CC(C#N)(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000531558818 562449784 /nfs/dbraw/zinc/44/97/84/562449784.db2.gz KRPOPFAWZSWAIZ-MOMVYJMYSA-N 0 3 354.498 2.421 20 30 FEEDHN N#Cc1cccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000536432772 562575245 /nfs/dbraw/zinc/57/52/45/562575245.db2.gz VFGFLAUAZDDEJX-NHCUHLMSSA-N 0 3 363.461 2.100 20 30 FEEDHN N#C[C@@H]1CSCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000537132696 562586275 /nfs/dbraw/zinc/58/62/75/562586275.db2.gz MSWFVCNFKBSDJK-GOSISDBHSA-N 0 3 358.511 2.056 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000601759579 567829221 /nfs/dbraw/zinc/82/92/21/567829221.db2.gz NFBAODQNAQNRRM-UONOGXRCSA-N 0 3 351.332 2.270 20 30 FEEDHN C=C(C)C[C@H](NC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C(=O)OC ZINC000601784666 567840513 /nfs/dbraw/zinc/84/05/13/567840513.db2.gz GMZFEEXYQGTDFG-IBGZPJMESA-N 0 3 374.481 2.129 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000602514921 567989790 /nfs/dbraw/zinc/98/97/90/567989790.db2.gz MUTCUPBSFRNXJX-IAGOWNOFSA-N 0 3 358.486 2.495 20 30 FEEDHN Cc1ccc(NC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000602865288 568008106 /nfs/dbraw/zinc/00/81/06/568008106.db2.gz RSRQLRRJNHZDGB-CALCHBBNSA-N 0 3 373.501 2.386 20 30 FEEDHN CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(CC3(CC#N)CC3)CC2)C1 ZINC000602866854 568008378 /nfs/dbraw/zinc/00/83/78/568008378.db2.gz SKAWMZRXVKKYLX-HNNXBMFYSA-N 0 3 361.486 2.335 20 30 FEEDHN N#Cc1ccc(CNC(=O)CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000568593329 568074432 /nfs/dbraw/zinc/07/44/32/568074432.db2.gz FIPPDQVCWFZMCD-MOPGFXCFSA-N 0 3 353.466 2.456 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-n2ccnc2)nn1)C(C)C ZINC000603287927 568083084 /nfs/dbraw/zinc/08/30/84/568083084.db2.gz YNWWGEVHTHPENA-KRWDZBQOSA-N 0 3 354.458 2.091 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CC23CCSCC3)cc1 ZINC000569803979 568425788 /nfs/dbraw/zinc/42/57/88/568425788.db2.gz HHIDEAOADQVTEL-OAHLLOKOSA-N 0 3 350.509 2.455 20 30 FEEDHN CCOCCC[N@@H+]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000821377818 607254084 /nfs/dbraw/zinc/25/40/84/607254084.db2.gz FDTJIRWDWJGWRM-OAHLLOKOSA-N 0 3 371.489 2.081 20 30 FEEDHN CCOCCC[N@H+]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000821377818 607254085 /nfs/dbraw/zinc/25/40/85/607254085.db2.gz FDTJIRWDWJGWRM-OAHLLOKOSA-N 0 3 371.489 2.081 20 30 FEEDHN CCOCCC[N@@H+]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000821377818 607254086 /nfs/dbraw/zinc/25/40/86/607254086.db2.gz FDTJIRWDWJGWRM-OAHLLOKOSA-N 0 3 371.489 2.081 20 30 FEEDHN CCOCCC[N@H+]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000821377818 607254087 /nfs/dbraw/zinc/25/40/87/607254087.db2.gz FDTJIRWDWJGWRM-OAHLLOKOSA-N 0 3 371.489 2.081 20 30 FEEDHN C=C(C)C[NH+]1CCC(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000735398483 598361059 /nfs/dbraw/zinc/36/10/59/598361059.db2.gz HSMGZLKORONODQ-FPLPWBNLSA-N 0 3 352.442 2.037 20 30 FEEDHN COc1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)cc1-c1nnn[n-]1 ZINC000821817897 599431546 /nfs/dbraw/zinc/43/15/46/599431546.db2.gz ASCTZRJKXNZQSO-UHFFFAOYSA-N 0 3 350.382 2.067 20 30 FEEDHN C=CC[N@@H+](CCC(=O)N1CCC[C@H]1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744136 599566585 /nfs/dbraw/zinc/56/65/85/599566585.db2.gz XLRUTMNDNHSUTI-OAHLLOKOSA-N 0 3 354.458 2.256 20 30 FEEDHN C=CC[N@H+](CCC(=O)N1CCC[C@H]1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744136 599566587 /nfs/dbraw/zinc/56/65/87/599566587.db2.gz XLRUTMNDNHSUTI-OAHLLOKOSA-N 0 3 354.458 2.256 20 30 FEEDHN N#Cc1ccc(C[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822825724 606890160 /nfs/dbraw/zinc/89/01/60/606890160.db2.gz MVSFZJXEHSEKDO-IBGZPJMESA-N 0 3 360.421 2.436 20 30 FEEDHN N#Cc1ccc(C[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822825724 606890162 /nfs/dbraw/zinc/89/01/62/606890162.db2.gz MVSFZJXEHSEKDO-IBGZPJMESA-N 0 3 360.421 2.436 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584585 608487484 /nfs/dbraw/zinc/48/74/84/608487484.db2.gz CGQWHGHQYJUDCB-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584585 608487485 /nfs/dbraw/zinc/48/74/85/608487485.db2.gz CGQWHGHQYJUDCB-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584584 608487564 /nfs/dbraw/zinc/48/75/64/608487564.db2.gz CGQWHGHQYJUDCB-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584584 608487565 /nfs/dbraw/zinc/48/75/65/608487565.db2.gz CGQWHGHQYJUDCB-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn(C)nc1Cl ZINC000814530310 674861464 /nfs/dbraw/zinc/86/14/64/674861464.db2.gz NVAZTCPHYDCJQD-UHFFFAOYSA-N 0 3 359.861 2.078 20 30 FEEDHN C=C(C)CN1CCC(Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000563711761 674931299 /nfs/dbraw/zinc/93/12/99/674931299.db2.gz BVVZGUGPZAZKSL-UHFFFAOYSA-N 0 3 364.515 2.319 20 30 FEEDHN C#CCN1CCC(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000067129354 670454296 /nfs/dbraw/zinc/45/42/96/670454296.db2.gz ATRKEBVUKVUIKV-UHFFFAOYSA-N 0 3 368.264 2.393 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)CCc1cc(Br)cs1 ZINC000107408385 670819837 /nfs/dbraw/zinc/81/98/37/670819837.db2.gz DBGXHUKQOYNAIH-LBPRGKRZSA-N 0 3 373.272 2.305 20 30 FEEDHN CC(C)C[C@@H](CN1CCCC1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000575796939 671321434 /nfs/dbraw/zinc/32/14/34/671321434.db2.gz KNCGSTLJDFKYOV-SFHVURJKSA-N 0 3 363.527 2.432 20 30 FEEDHN CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000580543542 671816768 /nfs/dbraw/zinc/81/67/68/671816768.db2.gz HQUDHSJKSATZFS-UHFFFAOYSA-N 0 3 361.442 2.433 20 30 FEEDHN N#CC(C(=O)Cn1c2ccccc2nc1SC(F)F)C(=O)NC1CC1 ZINC000129268897 672059966 /nfs/dbraw/zinc/05/99/66/672059966.db2.gz BYTOGVLFCQZZQY-JTQLQIEISA-N 0 3 364.377 2.338 20 30 FEEDHN CN(C)C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)c2ccccc2O1 ZINC000610759579 675994833 /nfs/dbraw/zinc/99/48/33/675994833.db2.gz HYZGVHSKLWUWPR-OAHLLOKOSA-N 0 3 357.435 2.076 20 30 FEEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000179476566 672402384 /nfs/dbraw/zinc/40/23/84/672402384.db2.gz XFNBUKHCISDMQV-GFCCVEGCSA-N 0 3 364.452 2.160 20 30 FEEDHN CN1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000592088350 672752439 /nfs/dbraw/zinc/75/24/39/672752439.db2.gz HJTDSPLKCFLKHH-ZBFHGGJFSA-N 0 3 361.492 2.243 20 30 FEEDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000592523134 672810671 /nfs/dbraw/zinc/81/06/71/672810671.db2.gz KADMKGPOXKJKIA-GFCCVEGCSA-N 0 3 354.376 2.129 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594071761 673028517 /nfs/dbraw/zinc/02/85/17/673028517.db2.gz QYXUMMSLMBZLST-SOUVJXGZSA-N 0 3 360.483 2.364 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594325724 673058680 /nfs/dbraw/zinc/05/86/80/673058680.db2.gz ITEHOFJXXVESPS-ZBFHGGJFSA-N 0 3 360.845 2.283 20 30 FEEDHN CCS(=O)(=O)Nc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1C ZINC000594429568 673070683 /nfs/dbraw/zinc/07/06/83/673070683.db2.gz UGZOZCXCIUKWNE-CQSZACIVSA-N 0 3 352.460 2.106 20 30 FEEDHN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H](N)CCCCC#N ZINC000594424975 673070690 /nfs/dbraw/zinc/07/06/90/673070690.db2.gz FLTNZOOFBQUDBH-CQSZACIVSA-N 0 3 352.385 2.163 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000594431939 673071403 /nfs/dbraw/zinc/07/14/03/673071403.db2.gz SWOZSYTYZZLKAP-DGCLKSJQSA-N 0 3 374.268 2.261 20 30 FEEDHN CSCC[C@H](NC(=O)[C@H](N)CCCCC#N)c1nnc2ccccn21 ZINC000594440613 673071759 /nfs/dbraw/zinc/07/17/59/673071759.db2.gz HAFRORKGDFQYLZ-KGLIPLIRSA-N 0 3 360.487 2.051 20 30 FEEDHN O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000330130525 673085835 /nfs/dbraw/zinc/08/58/35/673085835.db2.gz PCWCVWXLEUMBJQ-NSHDSACASA-N 0 3 360.384 2.188 20 30 FEEDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1cc(Br)c(C#N)cc1F ZINC000594585891 673103074 /nfs/dbraw/zinc/10/30/74/673103074.db2.gz GUAHDACXRBJQHR-JTQLQIEISA-N 0 3 369.238 2.016 20 30 FEEDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595631683 673276315 /nfs/dbraw/zinc/27/63/15/673276315.db2.gz JWNAGLUBXQLBDE-SRCQZFHVSA-N 0 3 365.861 2.306 20 30 FEEDHN N#Cc1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000733330691 673410067 /nfs/dbraw/zinc/41/00/67/673410067.db2.gz IYSHBUUYGHBMJM-UHFFFAOYSA-N 0 3 355.463 2.083 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597174538 673453606 /nfs/dbraw/zinc/45/36/06/673453606.db2.gz XNIXKDMVCMCFLU-UHFFFAOYSA-N 0 3 351.397 2.456 20 30 FEEDHN N#Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1C#N ZINC000597273154 673461663 /nfs/dbraw/zinc/46/16/63/673461663.db2.gz GIIJKRRBXBFKOA-UONOGXRCSA-N 0 3 353.300 2.352 20 30 FEEDHN N#Cc1ccc2c(c1)N(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)CC2 ZINC000597445817 673478917 /nfs/dbraw/zinc/47/89/17/673478917.db2.gz YNOYRJAWUOBUNN-UONOGXRCSA-N 0 3 354.328 2.431 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@H]1N1CCCC1 ZINC000597507689 673483422 /nfs/dbraw/zinc/48/34/22/673483422.db2.gz RSPADOGTUDGTQI-HZPDHXFCSA-N 0 3 351.422 2.488 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H]1N(C)C ZINC000540589131 673548364 /nfs/dbraw/zinc/54/83/64/673548364.db2.gz OETCJKZQXPFYKU-MYTOGIIISA-N 0 3 366.575 2.283 20 30 FEEDHN CC(C)[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CCN1 ZINC000598575702 673585326 /nfs/dbraw/zinc/58/53/26/673585326.db2.gz WHDJSFNOMABKBW-OAHLLOKOSA-N 0 3 366.259 2.156 20 30 FEEDHN C=CCSCCNCc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000598961923 673625377 /nfs/dbraw/zinc/62/53/77/673625377.db2.gz CDBRCTKTKREAQB-UHFFFAOYSA-N 0 3 356.451 2.215 20 30 FEEDHN COC[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599354572 673663177 /nfs/dbraw/zinc/66/31/77/673663177.db2.gz QJSQQUDZIDRIHY-RHSMWYFYSA-N 0 3 354.397 2.313 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCN(CCCF)CC1)CCC2 ZINC000599672831 673705052 /nfs/dbraw/zinc/70/50/52/673705052.db2.gz WCRKFGHUNKYCMN-UHFFFAOYSA-N 0 3 364.490 2.414 20 30 FEEDHN Cc1cc(Br)ccc1NC(=O)CNC[C@@H](O)CC1(C#N)CC1 ZINC000600714444 673793836 /nfs/dbraw/zinc/79/38/36/673793836.db2.gz MFDYNYPAJQNIBZ-ZDUSSCGKSA-N 0 3 366.259 2.340 20 30 FEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600763401 673797345 /nfs/dbraw/zinc/79/73/45/673797345.db2.gz VBRLKWVWDFFPHB-OCCSQVGLSA-N 0 3 353.825 2.475 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000601374144 673850915 /nfs/dbraw/zinc/85/09/15/673850915.db2.gz BHCMFXGYJGRTSO-XJKSGUPXSA-N 0 3 351.447 2.111 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000547984394 673911845 /nfs/dbraw/zinc/91/18/45/673911845.db2.gz VKMSYFLLCCMQRO-KRWDZBQOSA-N 0 3 360.889 2.452 20 30 FEEDHN CCNCc1ccn(Cc2cn(Cc3ccc(Cl)cc3C#N)nn2)n1 ZINC000603241880 673919621 /nfs/dbraw/zinc/91/96/21/673919621.db2.gz BUXMLYZSSOFYQB-UHFFFAOYSA-N 0 3 355.833 2.206 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC000818602914 675227844 /nfs/dbraw/zinc/22/78/44/675227844.db2.gz JMSRAYYDAVVHBZ-CVEARBPZSA-N 0 3 351.491 2.093 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H](CO)CC2CCCC2)cc1 ZINC000567352953 675286754 /nfs/dbraw/zinc/28/67/54/675286754.db2.gz TVEPJJXRERWTEN-QGZVFWFLSA-N 0 3 350.484 2.110 20 30 FEEDHN N#CCSCCC[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822815536 675508675 /nfs/dbraw/zinc/50/86/75/675508675.db2.gz SLKOMQYURWJFKW-UHFFFAOYSA-N 0 3 358.471 2.357 20 30 FEEDHN N#CCSCCC[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822815536 675508677 /nfs/dbraw/zinc/50/86/77/675508677.db2.gz SLKOMQYURWJFKW-UHFFFAOYSA-N 0 3 358.471 2.357 20 30 FEEDHN N#CC1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCSCC1 ZINC000825046004 675634892 /nfs/dbraw/zinc/63/48/92/675634892.db2.gz DTBNSUUDMDGBTJ-UHFFFAOYSA-N 0 3 358.511 2.447 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)CC(F)F)nc1C ZINC000826531962 675690606 /nfs/dbraw/zinc/69/06/06/675690606.db2.gz QCZMEBPUUFOJCG-ZETCQYMHSA-N 0 3 374.442 2.106 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2c(C(F)(F)F)cnn2C)CC1 ZINC000623579216 676541843 /nfs/dbraw/zinc/54/18/43/676541843.db2.gz RVNARILURMKMIS-UHFFFAOYSA-N 0 3 359.396 2.279 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCc1cccc(Br)c1 ZINC000761040130 680708190 /nfs/dbraw/zinc/70/81/90/680708190.db2.gz VQPLLGJNGARNBP-CQSZACIVSA-N 0 3 367.243 2.243 20 30 FEEDHN C[C@H]1CC(=NNC(=S)NC2CCN(Cc3ccccc3)CC2)CN1C ZINC000761802066 680731853 /nfs/dbraw/zinc/73/18/53/680731853.db2.gz SUFOFGZAINIBMF-HNNXBMFYSA-N 0 3 359.543 2.195 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(CCc1ccns1)CC2 ZINC000992242442 680098056 /nfs/dbraw/zinc/09/80/56/680098056.db2.gz RNKDLLUSTGWVLL-VUHPKUFZSA-N 0 3 361.511 2.390 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001022224131 680203621 /nfs/dbraw/zinc/20/36/21/680203621.db2.gz MWBZZJVEVNOLIL-SOUVJXGZSA-N 0 3 355.910 2.165 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C[C@@H]2CC(C)(C)CO2)CC1 ZINC000981190079 680219710 /nfs/dbraw/zinc/21/97/10/680219710.db2.gz ORLDBCMWRJYNPG-KSZLIROESA-N 0 3 350.503 2.317 20 30 FEEDHN C=CCN(CC=C)C(=O)CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000752084836 680222602 /nfs/dbraw/zinc/22/26/02/680222602.db2.gz XUVBLHOHWRBEBY-HOTGVXAUSA-N 0 3 351.491 2.422 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CNCc2snnc2C)CC1 ZINC000998147592 680377508 /nfs/dbraw/zinc/37/75/08/680377508.db2.gz DWMGEHSMMXTFRW-RDJZCZTQSA-N 0 3 364.515 2.156 20 30 FEEDHN CCCCCCCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000754866820 680385667 /nfs/dbraw/zinc/38/56/67/680385667.db2.gz XGHKNVLETCZNLZ-UHFFFAOYSA-N 0 3 352.523 2.297 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC(NCc2cc(OC)ns2)C1 ZINC000998787641 680389061 /nfs/dbraw/zinc/38/90/61/680389061.db2.gz JUACUCGBXRSPMO-GMEATFMZSA-N 0 3 365.499 2.212 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(Br)cc1F ZINC000836296439 680446597 /nfs/dbraw/zinc/44/65/97/680446597.db2.gz CFIQBGSXYZLUDJ-UHFFFAOYSA-N 0 3 356.239 2.343 20 30 FEEDHN COC(=O)[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000756007354 680453302 /nfs/dbraw/zinc/45/33/02/680453302.db2.gz GURKQHCTPSQHFI-JHJVBQTASA-N 0 3 357.435 2.213 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C ZINC001042603217 680536125 /nfs/dbraw/zinc/53/61/25/680536125.db2.gz CCDDVOHSQPGBNO-DAXOMENPSA-N 0 3 361.515 2.139 20 30 FEEDHN COc1cc(C#N)ccc1COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000766881693 680891274 /nfs/dbraw/zinc/89/12/74/680891274.db2.gz ASAVIRZUQNFOFJ-WCQYABFASA-N 0 3 356.300 2.067 20 30 FEEDHN C=CCN1CC[C@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O ZINC000844444016 681059374 /nfs/dbraw/zinc/05/93/74/681059374.db2.gz UMEIXMWGGWZXKZ-INIZCTEOSA-N 0 3 351.491 2.400 20 30 FEEDHN COCC#CCN1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000932681104 681285613 /nfs/dbraw/zinc/28/56/13/681285613.db2.gz XAEFQRNUTVEEGE-MRXNPFEDSA-N 0 3 352.475 2.032 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933447890 681414741 /nfs/dbraw/zinc/41/47/41/681414741.db2.gz HHRPTKOYPAVZNN-RDTXWAMCSA-N 0 3 351.878 2.231 20 30 FEEDHN C[C@H](N[C@H]1CCOC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000934402819 681565705 /nfs/dbraw/zinc/56/57/05/681565705.db2.gz CRCZUHQBWQPQMY-LRDDRELGSA-N 0 3 363.845 2.466 20 30 FEEDHN C#CCOc1cccc(Cl)c1CNCC1CCN(S(C)(=O)=O)CC1 ZINC000778162912 681581474 /nfs/dbraw/zinc/58/14/74/681581474.db2.gz YNZWVAXLICWPRH-UHFFFAOYSA-N 0 3 370.902 2.113 20 30 FEEDHN CN(C)[S@@](C)(=O)=NCC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000934750431 681620562 /nfs/dbraw/zinc/62/05/62/681620562.db2.gz PDSKRPILPPRASZ-VWLOTQADSA-N 0 3 364.515 2.223 20 30 FEEDHN N#CC(C(=O)C[C@H](n1cccn1)C(F)(F)F)C(=O)Nc1ccccn1 ZINC000850783049 681958810 /nfs/dbraw/zinc/95/88/10/681958810.db2.gz VFKFSIWFSUVNTD-PWSUYJOCSA-N 0 3 351.288 2.119 20 30 FEEDHN N#CC(C(=O)CC1(C#N)CCOCC1)C(=O)NCc1cccc(Cl)c1 ZINC000850976875 681992218 /nfs/dbraw/zinc/99/22/18/681992218.db2.gz JIZYHYGJODGTAS-OAHLLOKOSA-N 0 3 359.813 2.376 20 30 FEEDHN CC(C)(C)O[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000850977494 681992264 /nfs/dbraw/zinc/99/22/64/681992264.db2.gz WQRGUCSUNHEQAV-VNHYZAJKSA-N 0 3 350.365 2.493 20 30 FEEDHN CN(CC(=O)NC(C)(C)C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917060030 685529327 /nfs/dbraw/zinc/52/93/27/685529327.db2.gz KQLQLFBETIOQMM-LBPRGKRZSA-N 0 3 358.467 2.319 20 30 FEEDHN C#CCOCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000784601019 682240914 /nfs/dbraw/zinc/24/09/14/682240914.db2.gz JXKKXUXRHAKNSA-KRWDZBQOSA-N 0 3 354.372 2.207 20 30 FEEDHN CCCNC(=O)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547965 682385012 /nfs/dbraw/zinc/38/50/12/682385012.db2.gz ZQTHIAUKTFDMBT-HNNXBMFYSA-N 0 3 363.845 2.362 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)nc2OC)CC1 ZINC000789702018 682626927 /nfs/dbraw/zinc/62/69/27/682626927.db2.gz NRXYBOVONRSDTF-UHFFFAOYSA-N 0 3 352.232 2.136 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1c(Cl)cccc1OC ZINC000790768080 682700384 /nfs/dbraw/zinc/70/03/84/682700384.db2.gz RGAWVJWJFRDCAO-ZDUSSCGKSA-N 0 3 352.818 2.143 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CCC(F)F)cc1OC ZINC000796636662 683180090 /nfs/dbraw/zinc/18/00/90/683180090.db2.gz PQTOWNBFJUHUNL-LBPRGKRZSA-N 0 3 354.353 2.117 20 30 FEEDHN C[C@@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000797097064 683222544 /nfs/dbraw/zinc/22/25/44/683222544.db2.gz UHFWMMIABPMMQQ-ZBFHGGJFSA-N 0 3 351.472 2.054 20 30 FEEDHN C#CCN(C(=O)NCc1csc([C@H](C)OC)n1)C1CCN(C)CC1 ZINC000921374091 683445691 /nfs/dbraw/zinc/44/56/91/683445691.db2.gz ZYAITMVGJRPSEF-ZDUSSCGKSA-N 0 3 350.488 2.090 20 30 FEEDHN N#Cc1ccc(Br)c(CNC[C@H]2CCCCN2CCO)c1 ZINC000922153499 683670930 /nfs/dbraw/zinc/67/09/30/683670930.db2.gz CTTVTEKGQIQBPY-OAHLLOKOSA-N 0 3 352.276 2.257 20 30 FEEDHN CN(C)CCN1c2ccccc2C(=NNCC(F)(F)C(F)(F)F)C1=O ZINC000863183037 683683137 /nfs/dbraw/zinc/68/31/37/683683137.db2.gz IVEDTTZGABOSSB-UHFFFAOYSA-N 0 3 364.318 2.086 20 30 FEEDHN C=C(Cl)C[C@@H]1NC(=O)N(c2ccc(N3CCN(CC)CC3)cc2)C1=O ZINC000864550557 683866552 /nfs/dbraw/zinc/86/65/52/683866552.db2.gz LJPPVGNPTXMKKS-INIZCTEOSA-N 0 3 362.861 2.396 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OCC(=O)N(CC)CC)c1 ZINC000876582978 686224339 /nfs/dbraw/zinc/22/43/39/686224339.db2.gz CQIMDLDYIMRDHI-OAHLLOKOSA-N 0 3 353.850 2.342 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C ZINC000876599943 686226660 /nfs/dbraw/zinc/22/66/60/686226660.db2.gz AWSRCVJICYACIX-AWEZNQCLSA-N 0 3 373.906 2.432 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000876619239 686229728 /nfs/dbraw/zinc/22/97/28/686229728.db2.gz QZZCPWAAHVVVIW-MRXNPFEDSA-N 0 3 352.862 2.330 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000876680119 686242382 /nfs/dbraw/zinc/24/23/82/686242382.db2.gz AFDFQBOCYCRNRC-OAHLLOKOSA-N 0 3 353.806 2.435 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000876722392 686253251 /nfs/dbraw/zinc/25/32/51/686253251.db2.gz TXNLMANXXUXOPR-HZPDHXFCSA-N 0 3 372.296 2.299 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000876751566 686260829 /nfs/dbraw/zinc/26/08/29/686260829.db2.gz ROPXOBVXUUWAMZ-HZPDHXFCSA-N 0 3 372.296 2.299 20 30 FEEDHN COC[C@H](NCCC(=O)N(C)CCC#N)c1cccc(Br)c1 ZINC000879662805 686882749 /nfs/dbraw/zinc/88/27/49/686882749.db2.gz MAPIUATZYDZUAZ-HNNXBMFYSA-N 0 3 368.275 2.488 20 30 FEEDHN N#Cc1cc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)c(F)cc1F ZINC000880709858 687077120 /nfs/dbraw/zinc/07/71/20/687077120.db2.gz CYEIEVVTSJUKAM-ZDUSSCGKSA-N 0 3 350.369 2.211 20 30 FEEDHN C#CCN1CCC(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000881782645 687213957 /nfs/dbraw/zinc/21/39/57/687213957.db2.gz GKBLRBQAKWRSOK-UHFFFAOYSA-N 0 3 351.491 2.141 20 30 FEEDHN C#CCC1(O)CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000883063880 687555919 /nfs/dbraw/zinc/55/59/19/687555919.db2.gz GRLVCNZJCOYWJK-MRXNPFEDSA-N 0 3 361.511 2.445 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883096603 687563747 /nfs/dbraw/zinc/56/37/47/687563747.db2.gz MAEWWFSYGZNHJO-TVQRCGJNSA-N 0 3 364.247 2.320 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccc(F)cc1Br)C2 ZINC000884096984 687788428 /nfs/dbraw/zinc/78/84/28/687788428.db2.gz PRKFAPOZSRFNHI-BWBHSNQOSA-N 0 3 366.234 2.344 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000884134832 687797578 /nfs/dbraw/zinc/79/75/78/687797578.db2.gz SZKXDRUDTJPSJO-XWWUOBQESA-N 0 3 368.264 2.282 20 30 FEEDHN C#CCN(C(=O)Cn1nc(C(F)F)cc1C(F)F)C1CCN(C)CC1 ZINC000886571360 688277654 /nfs/dbraw/zinc/27/76/54/688277654.db2.gz SOLFISAEEILGTG-UHFFFAOYSA-N 0 3 360.355 2.314 20 30 FEEDHN C#CCN(C(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CCN(C)CC1 ZINC000886572321 688278330 /nfs/dbraw/zinc/27/83/30/688278330.db2.gz IBOFOTOCZBZIDI-INIZCTEOSA-N 0 3 354.372 2.295 20 30 FEEDHN C#CCN(C(=O)CN(C)c1nc2ccccc2s1)C1CCN(C)CC1 ZINC000886583425 688279731 /nfs/dbraw/zinc/27/97/31/688279731.db2.gz PYZQITJOSMNJIM-UHFFFAOYSA-N 0 3 356.495 2.289 20 30 FEEDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(C#N)cs1 ZINC000887964532 688527317 /nfs/dbraw/zinc/52/73/17/688527317.db2.gz JKLCWILBHLIZBC-AWEZNQCLSA-N 0 3 366.487 2.033 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@H]1CCc2sccc2C1=O ZINC000892459606 689199014 /nfs/dbraw/zinc/19/90/14/689199014.db2.gz ZYUYNKRTKKLQFP-TZMCWYRMSA-N 0 3 362.451 2.135 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1 ZINC000892491866 689203078 /nfs/dbraw/zinc/20/30/78/689203078.db2.gz ORGBZTGTWUFAEG-YDHLFZDLSA-N 0 3 363.483 2.451 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)c2cc(F)ccc2F)CC1 ZINC000892851073 689253049 /nfs/dbraw/zinc/25/30/49/689253049.db2.gz BFJKQNMOBQPRAN-QGZVFWFLSA-N 0 3 353.413 2.338 20 30 FEEDHN CN(C(=O)NCc1nc(C#N)cs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000897289454 690000582 /nfs/dbraw/zinc/00/05/82/690000582.db2.gz XTQYZYSTRONSND-INIZCTEOSA-N 0 3 355.467 2.431 20 30 FEEDHN C=CCN1CCC(NC(=O)CC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000906594374 691289614 /nfs/dbraw/zinc/28/96/14/691289614.db2.gz ZPCXSVKAZJUJLI-UHFFFAOYSA-N 0 3 351.491 2.446 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000908436252 691678505 /nfs/dbraw/zinc/67/85/05/691678505.db2.gz FUNVIJVXANOYQB-ZDUSSCGKSA-N 0 3 359.289 2.269 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@H]3C2)cn1 ZINC001164773335 721181431 /nfs/dbraw/zinc/18/14/31/721181431.db2.gz WHTHXEVHRNFIEB-NVXWUHKLSA-N 0 3 361.453 2.126 20 30 FEEDHN Cc1nc(C#N)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164908693 721566417 /nfs/dbraw/zinc/56/64/17/721566417.db2.gz RSGYJWDXFRNHDH-AEFFLSMTSA-N 0 3 353.401 2.138 20 30 FEEDHN Cc1cc(C#N)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980352 722150352 /nfs/dbraw/zinc/15/03/52/722150352.db2.gz NEEFZUIUTZFUSB-UXHICEINSA-N 0 3 363.465 2.384 20 30 FEEDHN CN1CCC(N(Cc2ccco2)C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000497876250 883809855 /nfs/dbraw/zinc/80/98/55/883809855.db2.gz YPHZOEXIEIINQH-UHFFFAOYSA-N 0 3 353.426 2.081 20 30 FEEDHN CC(C)N(C)C(=O)C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000030273531 539876852 /nfs/dbraw/zinc/87/68/52/539876852.db2.gz MUKILWAEZKPXNC-UHFFFAOYSA-N 0 3 356.470 2.466 20 30 FEEDHN N#Cc1ccc(OCC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000031960411 539924864 /nfs/dbraw/zinc/92/48/64/539924864.db2.gz BRODPCMHXZCMME-UHFFFAOYSA-N 0 3 359.495 2.415 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N(C)C)nc1 ZINC000044566497 540131204 /nfs/dbraw/zinc/13/12/04/540131204.db2.gz NLIWNUCIUIDCIU-UHFFFAOYSA-N 0 3 351.454 2.223 20 30 FEEDHN CCN1CCC[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000052593987 540476666 /nfs/dbraw/zinc/47/66/66/540476666.db2.gz MJRDMEOVZAJQPS-HNNXBMFYSA-N 0 3 359.449 2.013 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000057677070 540807369 /nfs/dbraw/zinc/80/73/69/540807369.db2.gz ZLKRVZVRZIILBH-AWEZNQCLSA-N 0 3 356.470 2.432 20 30 FEEDHN C=CCOc1ccc(CNCCC(=O)NCc2cccnc2)cc1OC ZINC000065935759 541272976 /nfs/dbraw/zinc/27/29/76/541272976.db2.gz GLQGXNZETAMCLI-UHFFFAOYSA-N 0 3 355.438 2.451 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000066241215 541294260 /nfs/dbraw/zinc/29/42/60/541294260.db2.gz MIAYRMYCROONKW-HUUCEWRRSA-N 0 3 366.469 2.176 20 30 FEEDHN N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)c1N ZINC000066241381 541294311 /nfs/dbraw/zinc/29/43/11/541294311.db2.gz HCAWWWUTZFXQFY-GOSISDBHSA-N 0 3 364.453 2.027 20 30 FEEDHN CNC(=O)COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000066504305 541330779 /nfs/dbraw/zinc/33/07/79/541330779.db2.gz PJDGCKICORGJKB-LBPRGKRZSA-N 0 3 359.407 2.075 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(NS(=O)(=O)CCC)cc2)CC1 ZINC000068123280 541552184 /nfs/dbraw/zinc/55/21/84/541552184.db2.gz VOTROLBOZSNXIU-UHFFFAOYSA-N 0 3 363.483 2.122 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068133851 541553557 /nfs/dbraw/zinc/55/35/57/541553557.db2.gz CZUJZPSDTAMGJP-KRWDZBQOSA-N 0 3 370.497 2.273 20 30 FEEDHN C[C@@H](OC[C@H]1CCCO1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310020 541575503 /nfs/dbraw/zinc/57/55/03/541575503.db2.gz QXROYUIHPHGCTN-VQIMIIECSA-N 0 3 359.470 2.033 20 30 FEEDHN C=CCN1CCC(NC(=O)C2CCN(Cc3csc(C)n3)CC2)CC1 ZINC000068430570 541590924 /nfs/dbraw/zinc/59/09/24/541590924.db2.gz IOTCCMNIVWRGAZ-UHFFFAOYSA-N 0 3 362.543 2.430 20 30 FEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000076618048 542301783 /nfs/dbraw/zinc/30/17/83/542301783.db2.gz LQKIBOZBFWUBDN-LJQANCHMSA-N 0 3 362.433 2.230 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000076980434 542338642 /nfs/dbraw/zinc/33/86/42/542338642.db2.gz PYCSPVZXZIBYNQ-IBGZPJMESA-N 0 3 356.470 2.201 20 30 FEEDHN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000077538382 542394518 /nfs/dbraw/zinc/39/45/18/542394518.db2.gz QLTCVCDMKBMXDA-UHFFFAOYSA-N 0 3 354.385 2.014 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000079296176 542510791 /nfs/dbraw/zinc/51/07/91/542510791.db2.gz BQBOUVUWFRAOII-SFHVURJKSA-N 0 3 369.513 2.260 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC2(CC1)OCCO2)C(C)C ZINC000079440231 542518691 /nfs/dbraw/zinc/51/86/91/542518691.db2.gz KGEKHAMXYZAVCS-KRWDZBQOSA-N 0 3 351.491 2.234 20 30 FEEDHN C=CCN1CCC(NC(=O)N(CC)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000084438125 542714717 /nfs/dbraw/zinc/71/47/17/542714717.db2.gz SHQSESNVQOLSDU-IBGZPJMESA-N 0 3 370.497 2.474 20 30 FEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000090171898 542783948 /nfs/dbraw/zinc/78/39/48/542783948.db2.gz JWPAVFHRJPZSAF-CRAIPNDOSA-N 0 3 352.438 2.197 20 30 FEEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncnn1C ZINC000091182506 542796894 /nfs/dbraw/zinc/79/68/94/542796894.db2.gz DGIAJGIDFDAHKH-UHFFFAOYSA-N 0 3 370.379 2.443 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)cc3cccnc32)CC1 ZINC000092293228 542854568 /nfs/dbraw/zinc/85/45/68/542854568.db2.gz TZNOMHYLOOZXAH-UHFFFAOYSA-N 0 3 352.438 2.248 20 30 FEEDHN C#CCCOc1ccc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)cc1 ZINC000092074397 542843881 /nfs/dbraw/zinc/84/38/81/542843881.db2.gz PAKAVUYLQJMEDJ-UHFFFAOYSA-N 0 3 366.465 2.217 20 30 FEEDHN CN(CCC#N)C(=O)CCN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000092808626 542888272 /nfs/dbraw/zinc/88/82/72/542888272.db2.gz REYGBRYVGNQHJK-HNNXBMFYSA-N 0 3 368.275 2.176 20 30 FEEDHN C=CCOc1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)cc1OC ZINC000093046920 542905278 /nfs/dbraw/zinc/90/52/78/542905278.db2.gz LEPMXGXTKBZZRP-UHFFFAOYSA-N 0 3 373.497 2.000 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCC3CCCCC3)CC2)o1 ZINC000101565690 543034034 /nfs/dbraw/zinc/03/40/34/543034034.db2.gz ORNIHDCJCRRRSQ-UHFFFAOYSA-N 0 3 373.501 2.406 20 30 FEEDHN CCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N(C)C ZINC000103469451 543109054 /nfs/dbraw/zinc/10/90/54/543109054.db2.gz NMXUGXYMQDXUDP-UHFFFAOYSA-N 0 3 362.499 2.237 20 30 FEEDHN CN(CCN1CCN(C(=O)C2(C#N)CCCC2)CC1)Cc1ccccc1 ZINC000104438133 543131758 /nfs/dbraw/zinc/13/17/58/543131758.db2.gz AGVXNGBBLMUMLG-UHFFFAOYSA-N 0 3 354.498 2.347 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000106037931 543186157 /nfs/dbraw/zinc/18/61/57/543186157.db2.gz LJAVTXPMPXPCPC-UHFFFAOYSA-N 0 3 362.470 2.412 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000106035725 543186198 /nfs/dbraw/zinc/18/61/98/543186198.db2.gz UXRNNXZFXTXMNH-UHFFFAOYSA-N 0 3 350.484 2.251 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000106040839 543186840 /nfs/dbraw/zinc/18/68/40/543186840.db2.gz FGMYANJCNOZUFN-UHFFFAOYSA-N 0 3 366.465 2.067 20 30 FEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(Cc2nccn2C)CC1 ZINC000106164792 543211161 /nfs/dbraw/zinc/21/11/61/543211161.db2.gz VEQJTSYTSSJQHR-MRXNPFEDSA-N 0 3 357.502 2.406 20 30 FEEDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108613775 543297668 /nfs/dbraw/zinc/29/76/68/543297668.db2.gz UPALJBRYBDTYTC-UHFFFAOYSA-N 0 3 374.510 2.431 20 30 FEEDHN N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108619111 543298472 /nfs/dbraw/zinc/29/84/72/543298472.db2.gz HZGDFUCPTUIODH-OAHLLOKOSA-N 0 3 372.494 2.231 20 30 FEEDHN C=CCCO[C@H](C)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000109232984 543318956 /nfs/dbraw/zinc/31/89/56/543318956.db2.gz GSWVRXPUKMCFIJ-GOSISDBHSA-N 0 3 359.514 2.422 20 30 FEEDHN N#CCOc1ccccc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000111102325 543381965 /nfs/dbraw/zinc/38/19/65/543381965.db2.gz ZXHFUIGHWYGHOF-UHFFFAOYSA-N 0 3 357.454 2.354 20 30 FEEDHN C[C@@H](Nc1cccc(N2CCN(CC3CC3)CC2)c1)C(=O)N(C)CCC#N ZINC000112535406 543450964 /nfs/dbraw/zinc/45/09/64/543450964.db2.gz PDWRJDRGJKLPDT-QGZVFWFLSA-N 0 3 369.513 2.391 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000552108949 674188217 /nfs/dbraw/zinc/18/82/17/674188217.db2.gz ODXZKIVNOLNEJF-CJNGLKHVSA-N 0 3 351.447 2.086 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000552108950 674188257 /nfs/dbraw/zinc/18/82/57/674188257.db2.gz ODXZKIVNOLNEJF-CZUORRHYSA-N 0 3 351.447 2.086 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000116450697 543608759 /nfs/dbraw/zinc/60/87/59/543608759.db2.gz MFJMSBAVKKNSOL-IBGZPJMESA-N 0 3 373.497 2.316 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)N(C)C1CC1 ZINC000118129303 543647819 /nfs/dbraw/zinc/64/78/19/543647819.db2.gz XIRXIBXUNCESFJ-UONOGXRCSA-N 0 3 374.510 2.476 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000125036993 543857225 /nfs/dbraw/zinc/85/72/25/543857225.db2.gz DHFHAVJYQPPRNA-INIZCTEOSA-N 0 3 373.501 2.029 20 30 FEEDHN CCCCN(CCCC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000126696826 543951329 /nfs/dbraw/zinc/95/13/29/543951329.db2.gz AILGAZFBVHHSNS-UHFFFAOYSA-N 0 3 361.490 2.406 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)CN1C1CC1 ZINC000127901767 544020597 /nfs/dbraw/zinc/02/05/97/544020597.db2.gz GWWNTMNYZDFVOG-SJLPKXTDSA-N 0 3 367.497 2.405 20 30 FEEDHN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000128353561 544047777 /nfs/dbraw/zinc/04/77/77/544047777.db2.gz IBHPBAVQAQGEOU-INIZCTEOSA-N 0 3 372.469 2.298 20 30 FEEDHN C[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)CN1CCN(C)CC1 ZINC000133827788 544285158 /nfs/dbraw/zinc/28/51/58/544285158.db2.gz YJOXCLCYYXAATE-IEBWSBKVSA-N 0 3 357.502 2.214 20 30 FEEDHN CN(CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000135707095 544359278 /nfs/dbraw/zinc/35/92/78/544359278.db2.gz BJOQATZQESIBPF-UHFFFAOYSA-N 0 3 368.412 2.274 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000150778622 544469211 /nfs/dbraw/zinc/46/92/11/544469211.db2.gz ANQSZKKXQITITQ-PBHICJAKSA-N 0 3 356.470 2.271 20 30 FEEDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000152556560 544667787 /nfs/dbraw/zinc/66/77/87/544667787.db2.gz JEJWKWIQLZLKMO-HXUWFJFHSA-N 0 3 353.422 2.393 20 30 FEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Cc1cccc(OCC#N)c1 ZINC000153439394 544775347 /nfs/dbraw/zinc/77/53/47/544775347.db2.gz KQKVKBZLQVELAG-UHFFFAOYSA-N 0 3 367.449 2.427 20 30 FEEDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190614901 328219613 /nfs/dbraw/zinc/21/96/13/328219613.db2.gz ZLPFPSMUSDRPBF-YOEHRIQHSA-N 0 3 357.454 2.369 20 30 FEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000190787083 328232586 /nfs/dbraw/zinc/23/25/86/328232586.db2.gz BJOOHPRWCMEGDX-CQSZACIVSA-N 0 3 352.438 2.405 20 30 FEEDHN N#Cc1cc(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)ccn1 ZINC000193753503 328393321 /nfs/dbraw/zinc/39/33/21/328393321.db2.gz SNNUTUVOFKNDFA-UHFFFAOYSA-N 0 3 364.449 2.400 20 30 FEEDHN CN(C)C[C@@](C)(O)CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247469 325383709 /nfs/dbraw/zinc/38/37/09/325383709.db2.gz KMYWQLFKBUBJBK-NRFANRHFSA-N 0 3 366.465 2.337 20 30 FEEDHN CCN(CC)C(=O)C1(NC[C@H](O)COc2ccc(C#N)cc2)CCCCC1 ZINC000118847259 326107976 /nfs/dbraw/zinc/10/79/76/326107976.db2.gz VOIDQQDKQGSHFM-SFHVURJKSA-N 0 3 373.497 2.459 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000121377262 326333729 /nfs/dbraw/zinc/33/37/29/326333729.db2.gz ILGJIYLCFIXKDX-INIZCTEOSA-N 0 3 372.860 2.187 20 30 FEEDHN N#Cc1cnc(NCCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000121772734 326366151 /nfs/dbraw/zinc/36/61/51/326366151.db2.gz IRJJISHBCBGWIG-UHFFFAOYSA-N 0 3 350.470 2.358 20 30 FEEDHN Cc1c(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1C ZINC000155116039 326778377 /nfs/dbraw/zinc/77/83/77/326778377.db2.gz KLNZNXFNHVXFME-UHFFFAOYSA-N 0 3 353.470 2.123 20 30 FEEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000162759581 327034206 /nfs/dbraw/zinc/03/42/06/327034206.db2.gz GPHABMHOBJQKAZ-UHFFFAOYSA-N 0 3 374.485 2.330 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cn1 ZINC000170657222 327091619 /nfs/dbraw/zinc/09/16/19/327091619.db2.gz WUFPYGFVQGVJKI-UHFFFAOYSA-N 0 3 356.451 2.028 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O ZINC000171541451 327144928 /nfs/dbraw/zinc/14/49/28/327144928.db2.gz ODZQYNWAKVILQX-SJORKVTESA-N 0 3 354.454 2.138 20 30 FEEDHN CN1CCN([C@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 ZINC000173281171 327246455 /nfs/dbraw/zinc/24/64/55/327246455.db2.gz LOXXEMAZDLPYJW-FQEVSTJZSA-N 0 3 354.498 2.119 20 30 FEEDHN N#Cc1ccc(CNCc2ccc(C(=O)NCCN3CCCC3)cc2)o1 ZINC000174408659 327325465 /nfs/dbraw/zinc/32/54/65/327325465.db2.gz DATSCJJCYQDJGB-UHFFFAOYSA-N 0 3 352.438 2.267 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000174789092 327351271 /nfs/dbraw/zinc/35/12/71/327351271.db2.gz XBMMVZVTFVNCRE-DZKIICNBSA-N 0 3 356.470 2.288 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000178429399 327584546 /nfs/dbraw/zinc/58/45/46/327584546.db2.gz HMBFSUBYYWRHPX-UHFFFAOYSA-N 0 3 364.449 2.396 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccccc1O ZINC000178481454 327587798 /nfs/dbraw/zinc/58/77/98/327587798.db2.gz UXCXPINWWYUNPB-UHFFFAOYSA-N 0 3 353.422 2.233 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)C1CCCCC1 ZINC000265239450 329106054 /nfs/dbraw/zinc/10/60/54/329106054.db2.gz GAAYBOFTRJBOSZ-UHFFFAOYSA-N 0 3 370.497 2.145 20 30 FEEDHN C#CCN1CCC(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000155349666 545515729 /nfs/dbraw/zinc/51/57/29/545515729.db2.gz JUUAXSJZJDNRLD-QGZVFWFLSA-N 0 3 354.498 2.068 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C1 ZINC000477483818 561146004 /nfs/dbraw/zinc/14/60/04/561146004.db2.gz XFJNBCBVSFAEPV-MGPUTAFESA-N 0 3 372.428 2.288 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccccc2N2CCC(CO)CC2)CC1 ZINC000160342422 546031222 /nfs/dbraw/zinc/03/12/22/546031222.db2.gz VASHCLLGWOTOOC-UHFFFAOYSA-N 0 3 355.482 2.179 20 30 FEEDHN CC(C)[C@H](CCO)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000162047318 546136559 /nfs/dbraw/zinc/13/65/59/546136559.db2.gz NRKXZRXHOJUPNY-INIZCTEOSA-N 0 3 356.388 2.170 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC000171699251 546219646 /nfs/dbraw/zinc/21/96/46/546219646.db2.gz KVQMOCBIFUMSHL-LJQANCHMSA-N 0 3 360.502 2.248 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)CC1 ZINC000171724753 546221815 /nfs/dbraw/zinc/22/18/15/546221815.db2.gz GWSDBMMIIHXOLE-GOSISDBHSA-N 0 3 361.461 2.347 20 30 FEEDHN C=CCN1CCC(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000171726908 546222367 /nfs/dbraw/zinc/22/23/67/546222367.db2.gz NBVGPBPZVPPXNX-UHFFFAOYSA-N 0 3 368.481 2.170 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000171739693 546223113 /nfs/dbraw/zinc/22/31/13/546223113.db2.gz OXSKNRQXVVMKKJ-UHFFFAOYSA-N 0 3 373.457 2.077 20 30 FEEDHN CN1CCC2(CC1)C[C@@H](NS(=O)(=O)CCCC#N)c1ccccc1O2 ZINC000171979901 546232889 /nfs/dbraw/zinc/23/28/89/546232889.db2.gz GRGFOPOZDHPMNF-MRXNPFEDSA-N 0 3 363.483 2.198 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(F)c(COCCOC)c2)CC1 ZINC000173579040 546283504 /nfs/dbraw/zinc/28/35/04/546283504.db2.gz WTOAFGDWEAGDJQ-UHFFFAOYSA-N 0 3 350.434 2.369 20 30 FEEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174954625 546305001 /nfs/dbraw/zinc/30/50/01/546305001.db2.gz ISRPDHJCCUYNEM-TZIWHRDSSA-N 0 3 354.498 2.391 20 30 FEEDHN CC(C)N(C)CCNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000176041315 546394417 /nfs/dbraw/zinc/39/44/17/546394417.db2.gz LTLYHVNJLIHBMV-UHFFFAOYSA-N 0 3 363.461 2.481 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCOC2CCCC2)cc1 ZINC000480948560 561220925 /nfs/dbraw/zinc/22/09/25/561220925.db2.gz BLQFUOABPJCMPO-ZDUSSCGKSA-N 0 3 365.455 2.453 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1 ZINC000481037386 561223656 /nfs/dbraw/zinc/22/36/56/561223656.db2.gz PFOWNCFQYUUHII-WCQYABFASA-N 0 3 353.469 2.342 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2OCC(F)F)CC1 ZINC000177957039 546712842 /nfs/dbraw/zinc/71/28/42/546712842.db2.gz RMRHYWBGCPUTSQ-UHFFFAOYSA-N 0 3 367.396 2.036 20 30 FEEDHN O=C(NCCNCc1ccc(F)c(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000179089733 546898363 /nfs/dbraw/zinc/89/83/63/546898363.db2.gz YGNVOXAWGXDTMS-PFONDFGASA-N 0 3 357.307 2.461 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000481782576 561242201 /nfs/dbraw/zinc/24/22/01/561242201.db2.gz YGLYBVZETQDAIJ-CVEARBPZSA-N 0 3 363.527 2.499 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000481880095 561244602 /nfs/dbraw/zinc/24/46/02/561244602.db2.gz SKPLIKPQOLOJFB-IAGOWNOFSA-N 0 3 373.497 2.104 20 30 FEEDHN Cc1onc(CC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)c1C#N ZINC000482268856 561251537 /nfs/dbraw/zinc/25/15/37/561251537.db2.gz RBDFJFROYBZMCZ-LJQANCHMSA-N 0 3 352.438 2.424 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000180905615 547206820 /nfs/dbraw/zinc/20/68/20/547206820.db2.gz KWAZRKCJVWERLU-CQSZACIVSA-N 0 3 368.412 2.273 20 30 FEEDHN N#CC(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccccn1 ZINC000181099561 547250377 /nfs/dbraw/zinc/25/03/77/547250377.db2.gz BWIMFECSOHAIQW-AWEZNQCLSA-N 0 3 352.350 2.316 20 30 FEEDHN CCOC(=O)C1(COC)CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000483192218 561269952 /nfs/dbraw/zinc/26/99/52/561269952.db2.gz GDDMQVZBTSYODP-UHFFFAOYSA-N 0 3 373.453 2.179 20 30 FEEDHN CC[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(OC)cc1 ZINC000181822597 547386789 /nfs/dbraw/zinc/38/67/89/547386789.db2.gz CBUOORHVARGKOP-UXHICEINSA-N 0 3 372.513 2.428 20 30 FEEDHN Cc1nnc(SCC(=O)NC[C@H](c2ccccc2)N(C)C)c(C#N)c1C ZINC000182712609 547539150 /nfs/dbraw/zinc/53/91/50/547539150.db2.gz LVTRZXSXJFMMFJ-QGZVFWFLSA-N 0 3 369.494 2.476 20 30 FEEDHN C=CC[C@H](CO)NC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000183079685 547598450 /nfs/dbraw/zinc/59/84/50/547598450.db2.gz FLBBZGQGKIBZQK-LJQANCHMSA-N 0 3 374.529 2.133 20 30 FEEDHN COc1cccc(CON=C(N)c2ccccc2CN2CCC(O)CC2)c1 ZINC000183168124 547614612 /nfs/dbraw/zinc/61/46/12/547614612.db2.gz FFAXKGPRNPJXEA-UHFFFAOYSA-N 0 3 369.465 2.489 20 30 FEEDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000484653589 561302467 /nfs/dbraw/zinc/30/24/67/561302467.db2.gz QHFDNLMINSRNKQ-HFBAOOFYSA-N 0 3 351.834 2.322 20 30 FEEDHN CCN(CCO)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000183992146 547750965 /nfs/dbraw/zinc/75/09/65/547750965.db2.gz VKXYEIIBONZZTJ-UHFFFAOYSA-N 0 3 367.449 2.181 20 30 FEEDHN CC(C)CN(CCN(C)C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184630075 547858055 /nfs/dbraw/zinc/85/80/55/547858055.db2.gz IRBKPVPPTGOYMS-UHFFFAOYSA-N 0 3 355.446 2.190 20 30 FEEDHN C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)N2C(C)C ZINC000184842132 547886327 /nfs/dbraw/zinc/88/63/27/547886327.db2.gz WCOOWGIDNZIOEX-DLBZAZTESA-N 0 3 369.465 2.111 20 30 FEEDHN C=C(C)[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)c(F)c1 ZINC000184853514 547887036 /nfs/dbraw/zinc/88/70/36/547887036.db2.gz IMRTYYUJGQKBFP-KBXCAEBGSA-N 0 3 365.424 2.108 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(CN(C)C)c1 ZINC000185442958 547985271 /nfs/dbraw/zinc/98/52/71/547985271.db2.gz DQKWQKSXCAPZMM-UHFFFAOYSA-N 0 3 359.451 2.107 20 30 FEEDHN C=CCn1c2nnc(SC[C@H]3CCN(C)C3)n2c2ccccc2c1=O ZINC000187649549 548260900 /nfs/dbraw/zinc/26/09/00/548260900.db2.gz IMNIJKXQVXYHLM-ZDUSSCGKSA-N 0 3 355.467 2.274 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@](C)(C(=O)OCC)c2ccccc2)CC1 ZINC000189687525 548308270 /nfs/dbraw/zinc/30/82/70/548308270.db2.gz LJLBKSGTHHDYPT-OAQYLSRUSA-N 0 3 373.497 2.457 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2nc(C(C)C)cs2)CC1 ZINC000192893803 548374797 /nfs/dbraw/zinc/37/47/97/548374797.db2.gz YLIIJLOSDDLXLR-UHFFFAOYSA-N 0 3 350.488 2.362 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cn1)C(C)C ZINC000192936297 548376619 /nfs/dbraw/zinc/37/66/19/548376619.db2.gz FZDTXFCKFUNHPE-OAHLLOKOSA-N 0 3 364.877 2.488 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CCCCN2)nc1C ZINC000237670939 548843833 /nfs/dbraw/zinc/84/38/33/548843833.db2.gz SKZCMTVICNIYHG-SNVBAGLBSA-N 0 3 364.500 2.265 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1C ZINC000245858523 549005503 /nfs/dbraw/zinc/00/55/03/549005503.db2.gz HLLOZHPIVFFRJQ-BRWVUGGUSA-N 0 3 360.527 2.435 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc1F ZINC000246764490 549206787 /nfs/dbraw/zinc/20/67/87/549206787.db2.gz YIGXVGVUARGFBZ-SCLBCKFNSA-N 0 3 363.458 2.335 20 30 FEEDHN C=CCn1cccc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000488935702 561400021 /nfs/dbraw/zinc/40/00/21/561400021.db2.gz DUABUGBLGNZOEY-UHFFFAOYSA-N 0 3 353.470 2.093 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cccc(-c3nnc(CCOC)o3)c2)CC1 ZINC000489051330 561402238 /nfs/dbraw/zinc/40/22/38/561402238.db2.gz HCWQGHVZVHWEHL-UHFFFAOYSA-N 0 3 370.453 2.306 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489111661 561403579 /nfs/dbraw/zinc/40/35/79/561403579.db2.gz PPHYLIPMAZBZKP-ZDUSSCGKSA-N 0 3 353.463 2.486 20 30 FEEDHN C[C@H](O)CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000249259424 549572994 /nfs/dbraw/zinc/57/29/94/549572994.db2.gz GUDHYZXJZMXRBQ-CABCVRRESA-N 0 3 356.388 2.324 20 30 FEEDHN C=CCOc1ccccc1CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000261841027 549761338 /nfs/dbraw/zinc/76/13/38/549761338.db2.gz WGPRWFJRVLKVIU-UHFFFAOYSA-N 0 3 353.470 2.326 20 30 FEEDHN C=CCN(C(=O)c1ccc(CN2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264155268 549986376 /nfs/dbraw/zinc/98/63/76/549986376.db2.gz ILJUYMZMQIWCEZ-GOSISDBHSA-N 0 3 362.495 2.098 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000264421087 549995870 /nfs/dbraw/zinc/99/58/70/549995870.db2.gz WQKKLPJHODBFQK-UHFFFAOYSA-N 0 3 368.485 2.449 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)N(C)C ZINC000264486474 549996619 /nfs/dbraw/zinc/99/66/19/549996619.db2.gz AEPYJJBSTQHMFI-CYBMUJFWSA-N 0 3 362.499 2.333 20 30 FEEDHN COCC1(C#N)CCN(C(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000492109312 561449480 /nfs/dbraw/zinc/44/94/80/561449480.db2.gz MHMBLQBCHNXQMC-UHFFFAOYSA-N 0 3 360.458 2.411 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)N1CCC(C)CC1 ZINC000269115546 550156966 /nfs/dbraw/zinc/15/69/66/550156966.db2.gz QZNRHCBNODGNSJ-ZDUSSCGKSA-N 0 3 362.861 2.387 20 30 FEEDHN N#Cc1csc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000270584424 550286546 /nfs/dbraw/zinc/28/65/46/550286546.db2.gz DFJXEJGOYLMXBI-DLBZAZTESA-N 0 3 355.463 2.233 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H]2C1 ZINC000272620326 550461219 /nfs/dbraw/zinc/46/12/19/550461219.db2.gz LSHUPPZSWHFXLN-CRAIPNDOSA-N 0 3 354.454 2.220 20 30 FEEDHN CN(C)CCOc1cnccc1CNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000494684066 561474141 /nfs/dbraw/zinc/47/41/41/561474141.db2.gz CRMLIUUWUUDROH-SFHVURJKSA-N 0 3 366.465 2.411 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)CC1 ZINC000278468261 550789816 /nfs/dbraw/zinc/78/98/16/550789816.db2.gz QAPIKPGSFBQZNN-MRXNPFEDSA-N 0 3 362.449 2.424 20 30 FEEDHN COCCN1CCC(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279323416 550877519 /nfs/dbraw/zinc/87/75/19/550877519.db2.gz XREHNMGLDPJLDC-UHFFFAOYSA-N 0 3 354.410 2.054 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000279685764 550916769 /nfs/dbraw/zinc/91/67/69/550916769.db2.gz HIQXODTYJNPSIH-NRFANRHFSA-N 0 3 358.445 2.415 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000279964443 550947663 /nfs/dbraw/zinc/94/76/63/550947663.db2.gz HHCBWAJORNBGBN-ZWKOTPCHSA-N 0 3 353.422 2.433 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000280162929 550966810 /nfs/dbraw/zinc/96/68/10/550966810.db2.gz IGAYHVBYFKJMJH-VAMGGRTRSA-N 0 3 358.482 2.241 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@@H]1N1CCCC1 ZINC000280208215 550971606 /nfs/dbraw/zinc/97/16/06/550971606.db2.gz FTNMYUVZUKCVKT-GBESFXJTSA-N 0 3 368.506 2.279 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000280343415 550983073 /nfs/dbraw/zinc/98/30/73/550983073.db2.gz JZSPGOBVUQCLNV-RTBURBONSA-N 0 3 365.408 2.347 20 30 FEEDHN CC(C)(C)OC(=O)NCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280839740 551037804 /nfs/dbraw/zinc/03/78/04/551037804.db2.gz JJEREMZWKNGXJB-INIZCTEOSA-N 0 3 356.426 2.272 20 30 FEEDHN CN(C)CCn1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1=O ZINC000281081894 551061577 /nfs/dbraw/zinc/06/15/77/551061577.db2.gz FDQRKLSKKDGLDI-UHFFFAOYSA-N 0 3 352.438 2.463 20 30 FEEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000281104062 551063661 /nfs/dbraw/zinc/06/36/61/551063661.db2.gz DGKUDKAQSNSECH-YJBOKZPZSA-N 0 3 353.422 2.037 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000281123631 551065999 /nfs/dbraw/zinc/06/59/99/551065999.db2.gz GBUPFULKHCUIPJ-MJGOQNOKSA-N 0 3 351.381 2.099 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000281123653 551066132 /nfs/dbraw/zinc/06/61/32/551066132.db2.gz GBUPFULKHCUIPJ-PKOBYXMFSA-N 0 3 351.381 2.099 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(c3nccs3)CC2)cc1 ZINC000281211947 551074428 /nfs/dbraw/zinc/07/44/28/551074428.db2.gz JAQNOWHLKPLQSG-MRXNPFEDSA-N 0 3 365.462 2.482 20 30 FEEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)N(C)C[C@H](C)C#N)c1ccccc1 ZINC000282556956 551246107 /nfs/dbraw/zinc/24/61/07/551246107.db2.gz FFYZMHPSCXTRFC-HUUCEWRRSA-N 0 3 352.504 2.042 20 30 FEEDHN N#Cc1ccnc(C(=O)NCc2ccc(OCCN3CCCC3)cc2)c1 ZINC000497738801 561507582 /nfs/dbraw/zinc/50/75/82/561507582.db2.gz HYPHWUIKSVXQCD-UHFFFAOYSA-N 0 3 350.422 2.358 20 30 FEEDHN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000283437021 551365982 /nfs/dbraw/zinc/36/59/82/551365982.db2.gz YOVOVNZCQXMULR-UHFFFAOYSA-N 0 3 368.485 2.217 20 30 FEEDHN CN1CCN(CCCNC(=O)c2cc(C#N)ccn2)[C@@H](c2ccccc2)C1 ZINC000283733214 551418606 /nfs/dbraw/zinc/41/86/06/551418606.db2.gz MBBHZARBEXVDEG-HXUWFJFHSA-N 0 3 363.465 2.062 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)c1cccnc1)C(C)C ZINC000284062450 551476932 /nfs/dbraw/zinc/47/69/32/551476932.db2.gz NLKUCCUFEAULST-MJGOQNOKSA-N 0 3 372.513 2.416 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000498381654 561523784 /nfs/dbraw/zinc/52/37/84/561523784.db2.gz GOOOSCWJYIDYBZ-SFHVURJKSA-N 0 3 370.497 2.095 20 30 FEEDHN CCN1CCN(Cc2ccc(NC(=O)Cc3noc(C)c3C#N)cc2)CC1 ZINC000498530032 561527089 /nfs/dbraw/zinc/52/70/89/561527089.db2.gz RFKTZMXMSGNYJX-UHFFFAOYSA-N 0 3 367.453 2.173 20 30 FEEDHN COC(=O)c1cnoc1CON=C(N)c1cccc(CN2CCCCC2)c1 ZINC000285018560 551690490 /nfs/dbraw/zinc/69/04/90/551690490.db2.gz DQNDDHJOGXGLCR-UHFFFAOYSA-N 0 3 372.425 2.284 20 30 FEEDHN N#CC1(CS(=O)(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC000285425846 551754723 /nfs/dbraw/zinc/75/47/23/551754723.db2.gz WCOMJFVYKLZFGF-LJQANCHMSA-N 0 3 359.495 2.218 20 30 FEEDHN C#CCCOc1ccc(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000285504958 551766654 /nfs/dbraw/zinc/76/66/54/551766654.db2.gz NOBKRIZLDOLTLU-QGZVFWFLSA-N 0 3 362.495 2.135 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(OCC)c2)CC1 ZINC000285640787 551787822 /nfs/dbraw/zinc/78/78/22/551787822.db2.gz VHUDGEDBYUOKON-MRXNPFEDSA-N 0 3 373.497 2.419 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCC[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000286414844 551884670 /nfs/dbraw/zinc/88/46/70/551884670.db2.gz FMUVEGMJVLIPHS-MRXNPFEDSA-N 0 3 373.497 2.072 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000286451344 551886889 /nfs/dbraw/zinc/88/68/89/551886889.db2.gz HNNLZZJLIPWCER-IBGZPJMESA-N 0 3 369.509 2.234 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000286626997 551907945 /nfs/dbraw/zinc/90/79/45/551907945.db2.gz MEKWKAJFEVEKDS-APWZRJJASA-N 0 3 355.482 2.363 20 30 FEEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCCCC#N ZINC000286774270 551924659 /nfs/dbraw/zinc/92/46/59/551924659.db2.gz RDNNNRRPMVAHQA-GOSISDBHSA-N 0 3 370.497 2.213 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(CCc2ccc(F)cc2)C2CC2)CC1 ZINC000286808550 551928195 /nfs/dbraw/zinc/92/81/95/551928195.db2.gz VJYUEFUXXSQMCH-UHFFFAOYSA-N 0 3 373.472 2.126 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)[N-]CC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000287061635 551958589 /nfs/dbraw/zinc/95/85/89/551958589.db2.gz WZOBIDXVETUPSK-UHFFFAOYSA-N 0 3 365.480 2.403 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)CC(C)(C)C)cc1 ZINC000287159859 551970857 /nfs/dbraw/zinc/97/08/57/551970857.db2.gz MRAJOCGIVBSAQY-JSGCOSHPSA-N 0 3 367.471 2.291 20 30 FEEDHN N#CCCCCNC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000287249735 551981209 /nfs/dbraw/zinc/98/12/09/551981209.db2.gz HHSNZIIUQUEIKV-FQEVSTJZSA-N 0 3 369.513 2.282 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCCO2)cc1 ZINC000287455738 552006500 /nfs/dbraw/zinc/00/65/00/552006500.db2.gz XFIYWIZYOYHKLR-OCCSQVGLSA-N 0 3 351.428 2.063 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCSCC2)cc1 ZINC000287646542 552029873 /nfs/dbraw/zinc/02/98/73/552029873.db2.gz OXRBSLUGTNNGGA-NSHDSACASA-N 0 3 353.469 2.389 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288136630 552097395 /nfs/dbraw/zinc/09/73/95/552097395.db2.gz OJURSCIPAHCTOP-OCCSQVGLSA-N 0 3 360.845 2.235 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288136636 552097702 /nfs/dbraw/zinc/09/77/02/552097702.db2.gz OJURSCIPAHCTOP-TZMCWYRMSA-N 0 3 360.845 2.235 20 30 FEEDHN C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000499915656 561561453 /nfs/dbraw/zinc/56/14/53/561561453.db2.gz PHOYLPPEKPUKTG-VQIMIIECSA-N 0 3 370.497 2.001 20 30 FEEDHN C#CCNC(=O)c1cccc(-c2noc(C3CCN(C4CC4)CC3)n2)c1 ZINC000288839614 552222402 /nfs/dbraw/zinc/22/24/02/552222402.db2.gz DHJKSDFPQRAFFP-UHFFFAOYSA-N 0 3 350.422 2.441 20 30 FEEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289391558 552313300 /nfs/dbraw/zinc/31/33/00/552313300.db2.gz DOIVOLHFMNIZIM-KRWDZBQOSA-N 0 3 370.478 2.096 20 30 FEEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289391561 552313436 /nfs/dbraw/zinc/31/34/36/552313436.db2.gz DOIVOLHFMNIZIM-QGZVFWFLSA-N 0 3 370.478 2.096 20 30 FEEDHN CCS[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289630864 552352520 /nfs/dbraw/zinc/35/25/20/552352520.db2.gz BNXLKPPRAUBLES-HUUCEWRRSA-N 0 3 353.513 2.381 20 30 FEEDHN Cn1cc(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)cc1C#N ZINC000289681576 552361138 /nfs/dbraw/zinc/36/11/38/552361138.db2.gz NYSFPISFDORRET-NRFANRHFSA-N 0 3 363.509 2.289 20 30 FEEDHN COCCCn1nccc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289877301 552393258 /nfs/dbraw/zinc/39/32/58/552393258.db2.gz RTRCBAGAISJAFJ-UHFFFAOYSA-N 0 3 355.486 2.355 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)CC1 ZINC000500737323 561580685 /nfs/dbraw/zinc/58/06/85/561580685.db2.gz HQKUOOZOSPXJDG-UHFFFAOYSA-N 0 3 366.849 2.219 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290323820 552460155 /nfs/dbraw/zinc/46/01/55/552460155.db2.gz VXPBJZFHNUWCED-MJBXVCDLSA-N 0 3 360.433 2.118 20 30 FEEDHN Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000290374055 552469018 /nfs/dbraw/zinc/46/90/18/552469018.db2.gz KLYZZAMFWFDTGY-UHFFFAOYSA-N 0 3 361.453 2.394 20 30 FEEDHN COc1ccc(NC(=O)CCN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292239405 552707514 /nfs/dbraw/zinc/70/75/14/552707514.db2.gz QEOSRUHFEUKQBH-SFHVURJKSA-N 0 3 366.421 2.444 20 30 FEEDHN C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCCC[C@@H]1C ZINC000501528071 561599693 /nfs/dbraw/zinc/59/96/93/561599693.db2.gz BFERFHSAGXVXBT-DLBZAZTESA-N 0 3 370.501 2.048 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1sccc1C#N ZINC000293258195 552804212 /nfs/dbraw/zinc/80/42/12/552804212.db2.gz BWEJOKWZUXYZHQ-CYBMUJFWSA-N 0 3 356.451 2.195 20 30 FEEDHN CN1CC[C@@]2(CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000293616022 552840565 /nfs/dbraw/zinc/84/05/65/552840565.db2.gz DCEQNRRDHQTCTK-HXUWFJFHSA-N 0 3 354.454 2.221 20 30 FEEDHN C=CCN1CCC(NC(=O)CNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000294438555 552906300 /nfs/dbraw/zinc/90/63/00/552906300.db2.gz AUOJPHIXDMIBJC-UHFFFAOYSA-N 0 3 350.850 2.228 20 30 FEEDHN CC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(C(=O)OC)cc1 ZINC000294710615 552928653 /nfs/dbraw/zinc/92/86/53/552928653.db2.gz JNTPKGZOTSYMKP-DVEDPGPFSA-N 0 3 357.410 2.040 20 30 FEEDHN CC(C)(CCC#N)CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000501859347 561606965 /nfs/dbraw/zinc/60/69/65/561606965.db2.gz WYWCTCWSYXJKSU-SFHVURJKSA-N 0 3 358.486 2.382 20 30 FEEDHN N#Cc1ccc(C2=CCN(CC(=O)NC3CCN(C4CC4)CC3)CC2)cc1 ZINC000502493210 561619643 /nfs/dbraw/zinc/61/96/43/561619643.db2.gz COLLLEPNTOQNEM-UHFFFAOYSA-N 0 3 364.493 2.390 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000296993221 553239567 /nfs/dbraw/zinc/23/95/67/553239567.db2.gz SSKBXEGRMTXDRC-UHFFFAOYSA-N 0 3 354.454 2.066 20 30 FEEDHN C=CCOc1ccccc1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000298503055 553433313 /nfs/dbraw/zinc/43/33/13/553433313.db2.gz IEZHCNIMIUVTAH-UHFFFAOYSA-N 0 3 360.454 2.256 20 30 FEEDHN COCCN(C)CCCNC(=O)NCCSCc1ccccc1C#N ZINC000298592584 553446048 /nfs/dbraw/zinc/44/60/48/553446048.db2.gz XNBAABKJIZMIMK-UHFFFAOYSA-N 0 3 364.515 2.059 20 30 FEEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000298629575 553451459 /nfs/dbraw/zinc/45/14/59/553451459.db2.gz VSMPQSWFKGMMOR-OAQYLSRUSA-N 0 3 360.417 2.399 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000299179178 553525877 /nfs/dbraw/zinc/52/58/77/553525877.db2.gz PJTBQWIRTMGHAI-IBGZPJMESA-N 0 3 357.498 2.044 20 30 FEEDHN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000301576482 553662683 /nfs/dbraw/zinc/66/26/83/553662683.db2.gz YUMQZQGZMKFDHU-ZIAGYGMSSA-N 0 3 354.376 2.398 20 30 FEEDHN N#Cc1ccc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(C(F)(F)F)c1 ZINC000301971374 553695245 /nfs/dbraw/zinc/69/52/45/553695245.db2.gz SFBFNFYGARREPF-MRXNPFEDSA-N 0 3 366.387 2.496 20 30 FEEDHN Cc1cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nc(C)n1 ZINC000505423508 561670805 /nfs/dbraw/zinc/67/08/05/561670805.db2.gz USVWOAZGHCMMHW-UHFFFAOYSA-N 0 3 366.469 2.239 20 30 FEEDHN N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000312038695 553755977 /nfs/dbraw/zinc/75/59/77/553755977.db2.gz UWAWPQPCLAVXPA-KRWDZBQOSA-N 0 3 370.478 2.144 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328810731 553825672 /nfs/dbraw/zinc/82/56/72/553825672.db2.gz DZBBTDBGGKXTSY-HZPDHXFCSA-N 0 3 353.532 2.419 20 30 FEEDHN C[C@H](C(=O)Nc1nccs1)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000328976001 553856755 /nfs/dbraw/zinc/85/67/55/553856755.db2.gz WHNGOZDELLMCGY-RBSFLKMASA-N 0 3 351.520 2.077 20 30 FEEDHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978060 553857265 /nfs/dbraw/zinc/85/72/65/553857265.db2.gz QQWJUZWWWLLRKD-DOXZYTNZSA-N 0 3 362.426 2.255 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1COc2cc(OC)ccc2C1 ZINC000329015126 553865103 /nfs/dbraw/zinc/86/51/03/553865103.db2.gz PZSAIURKDUPOEC-BBWFWOEESA-N 0 3 359.470 2.471 20 30 FEEDHN C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)N1CCC(C)CC1 ZINC000506108599 561690547 /nfs/dbraw/zinc/69/05/47/561690547.db2.gz JUYPKIVNIHLHOG-HNAYVOBHSA-N 0 3 351.491 2.485 20 30 FEEDHN Cc1ccc(NC(=O)N2CCCC23CCN(C)CC3)cc1-n1cnnn1 ZINC000329073770 553875338 /nfs/dbraw/zinc/87/53/38/553875338.db2.gz OYBOZXYZXGRVPA-UHFFFAOYSA-N 0 3 355.446 2.076 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000329093670 553878863 /nfs/dbraw/zinc/87/88/63/553878863.db2.gz XMEQAMJKJDDHRM-KRWDZBQOSA-N 0 3 356.470 2.266 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000329171201 553894506 /nfs/dbraw/zinc/89/45/06/553894506.db2.gz JYFSUKAVWYZJAO-OKZBNKHCSA-N 0 3 365.518 2.435 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000329177474 553896161 /nfs/dbraw/zinc/89/61/61/553896161.db2.gz LYYDXKUQCCXDCE-IRXDYDNUSA-N 0 3 366.506 2.375 20 30 FEEDHN Cc1noc([C@@H]2CCCCN2C(=O)NC[C@]2(N(C)C)CCSC2)n1 ZINC000329303816 553921816 /nfs/dbraw/zinc/92/18/16/553921816.db2.gz XQRGXVNSKRWTMS-XJKSGUPXSA-N 0 3 353.492 2.256 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)N1CCc2cncnc2C1 ZINC000329304187 553922024 /nfs/dbraw/zinc/92/20/24/553922024.db2.gz XTMUXGBRJURHOF-UHFFFAOYSA-N 0 3 361.515 2.110 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000506558912 561701980 /nfs/dbraw/zinc/70/19/80/561701980.db2.gz BCKGLFKQZZRGIZ-ZWKOTPCHSA-N 0 3 359.466 2.430 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCN(c3ncc(C)s3)CC2)CC1 ZINC000329364428 553933417 /nfs/dbraw/zinc/93/34/17/553933417.db2.gz ABCDXMQLTXAQPQ-UHFFFAOYSA-N 0 3 351.520 2.014 20 30 FEEDHN CN1CCN(CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1(C)C ZINC000329481131 553954934 /nfs/dbraw/zinc/95/49/34/553954934.db2.gz PLCMHRRAGWJSCV-GDBMZVCRSA-N 0 3 367.538 2.050 20 30 FEEDHN CCn1ccnc1[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)C1CCOCC1 ZINC000329485067 553956107 /nfs/dbraw/zinc/95/61/07/553956107.db2.gz FUSCRJGHJGSKFP-IAGOWNOFSA-N 0 3 361.490 2.065 20 30 FEEDHN CN(C(=O)NC[C@]1(C)CCOC1)C1CCN(CCc2ccccn2)CC1 ZINC000329533639 553963512 /nfs/dbraw/zinc/96/35/12/553963512.db2.gz KLERJQIHTVRWOU-FQEVSTJZSA-N 0 3 360.502 2.361 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CCCC23CCN(C)CC3)[C@]12CCCO2 ZINC000329571403 553969594 /nfs/dbraw/zinc/96/95/94/553969594.db2.gz MQKKOALEQZNDEX-FRQCXROJSA-N 0 3 351.491 2.187 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C[C@@H]1N(C)C ZINC000507087642 561716996 /nfs/dbraw/zinc/71/69/96/561716996.db2.gz PPLCSKPBGPQKCG-ZWKOTPCHSA-N 0 3 369.494 2.170 20 30 FEEDHN C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000329835371 554015154 /nfs/dbraw/zinc/01/51/54/554015154.db2.gz HJEWQOZJKWZJAD-RNIPGJKVSA-N 0 3 361.486 2.208 20 30 FEEDHN CCN1C(=O)CC[C@H](C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@H]1c1cnn(C)c1 ZINC000329885219 554024794 /nfs/dbraw/zinc/02/47/94/554024794.db2.gz UHBUWNJHKAAYMT-OIWLHUINSA-N 0 3 373.501 2.301 20 30 FEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@H]1CCOC2(CCSCC2)C1 ZINC000329905695 554028917 /nfs/dbraw/zinc/02/89/17/554028917.db2.gz RRZSXOJLSIBPAU-GJZGRUSLSA-N 0 3 364.515 2.394 20 30 FEEDHN [O-]C(N[C@H]1CCOC2(CCSCC2)C1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329905695 554028920 /nfs/dbraw/zinc/02/89/20/554028920.db2.gz RRZSXOJLSIBPAU-GJZGRUSLSA-N 0 3 364.515 2.394 20 30 FEEDHN CC(C(=O)N[C@H]1CCc2ccccc2C1)S(=O)(=O)C1CCOCC1 ZINC000330034581 554052448 /nfs/dbraw/zinc/05/24/48/554052448.db2.gz BDCIGBWTOYVUEH-CJNGLKHVSA-N 0 3 351.468 2.483 20 30 FEEDHN CN(C)[C@]1(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CCSC1 ZINC000330071161 554059225 /nfs/dbraw/zinc/05/92/25/554059225.db2.gz IRVBETVEHKGXHY-YOEHRIQHSA-N 0 3 371.572 2.472 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn([C@H]2CCOC2)nn1 ZINC000330074153 554060291 /nfs/dbraw/zinc/06/02/91/554060291.db2.gz CRVBLWYFESLLBF-PVAVHDDUSA-N 0 3 355.442 2.065 20 30 FEEDHN CC(C)[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CCO1 ZINC000330228386 554089223 /nfs/dbraw/zinc/08/92/23/554089223.db2.gz PQBAPOUSGJWXQS-RYRKJORJSA-N 0 3 353.507 2.289 20 30 FEEDHN CO[C@H](C)c1nc(C)c(C(=O)NCCN2CCN(C)C(C)(C)C2)s1 ZINC000330419079 554119311 /nfs/dbraw/zinc/11/93/11/554119311.db2.gz PEUSWWGSVFNBKA-CYBMUJFWSA-N 0 3 354.520 2.490 20 30 FEEDHN CC(C)CC(=O)N1CCC(NC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000330452462 554123406 /nfs/dbraw/zinc/12/34/06/554123406.db2.gz AVXIFENKNKJVDR-INIZCTEOSA-N 0 3 352.523 2.402 20 30 FEEDHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000330683478 554156963 /nfs/dbraw/zinc/15/69/63/554156963.db2.gz ITLDOYFISHIFCM-LLVKDONJSA-N 0 3 361.414 2.209 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCOC2)cc1 ZINC000330730693 554164202 /nfs/dbraw/zinc/16/42/02/554164202.db2.gz IFQBTCCEUTVWAK-UONOGXRCSA-N 0 3 365.455 2.263 20 30 FEEDHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000330825269 554176303 /nfs/dbraw/zinc/17/63/03/554176303.db2.gz RYFLGLOZHQNPKQ-BRWVUGGUSA-N 0 3 352.523 2.448 20 30 FEEDHN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000330933915 554191418 /nfs/dbraw/zinc/19/14/18/554191418.db2.gz GAUIZCZGCPVNPM-ZACQAIPSSA-N 0 3 352.523 2.354 20 30 FEEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000330957636 554194086 /nfs/dbraw/zinc/19/40/86/554194086.db2.gz NVMYUALAMLXZSP-UHFFFAOYSA-N 0 3 373.425 2.015 20 30 FEEDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cccnc2C#N)C1 ZINC000331194667 554228841 /nfs/dbraw/zinc/22/88/41/554228841.db2.gz WOEUADDLHVAALE-CQSZACIVSA-N 0 3 350.488 2.132 20 30 FEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000331350661 554249968 /nfs/dbraw/zinc/24/99/68/554249968.db2.gz YMTNLAODYDEFBO-WDEREUQCSA-N 0 3 370.393 2.214 20 30 FEEDHN C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508864751 561775792 /nfs/dbraw/zinc/77/57/92/561775792.db2.gz QIBDVWBYUPYPIG-MRXNPFEDSA-N 0 3 363.506 2.110 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000331468922 554269748 /nfs/dbraw/zinc/26/97/48/554269748.db2.gz OJVHKSYEHKNYAL-KBXCAEBGSA-N 0 3 354.458 2.165 20 30 FEEDHN COC(=O)[C@]1(C)CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331477177 554271769 /nfs/dbraw/zinc/27/17/69/554271769.db2.gz PQDRVLBOYLEOGR-WIBUTAKZSA-N 0 3 355.438 2.185 20 30 FEEDHN Cc1cc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)ncc1C#N ZINC000332100295 554380511 /nfs/dbraw/zinc/38/05/11/554380511.db2.gz DWSWPABYGYBWAH-HOTGVXAUSA-N 0 3 356.470 2.223 20 30 FEEDHN N#CCCCC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000332345373 554429397 /nfs/dbraw/zinc/42/93/97/554429397.db2.gz FXKVKGKPHXZRMG-GOSISDBHSA-N 0 3 355.486 2.136 20 30 FEEDHN C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CCN1C1CCN(C)CC1 ZINC000332402306 554439876 /nfs/dbraw/zinc/43/98/76/554439876.db2.gz WBLQSKJPHKCEPK-DNVCBOLYSA-N 0 3 355.486 2.235 20 30 FEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000510483528 561835916 /nfs/dbraw/zinc/83/59/16/561835916.db2.gz AWHVXMCJQWQMCB-GXTWGEPZSA-N 0 3 353.875 2.459 20 30 FEEDHN C[C@@H]1CCN(C(=O)Nc2nn(C)cc2C#N)CCN1Cc1ccccc1 ZINC000610561657 554528765 /nfs/dbraw/zinc/52/87/65/554528765.db2.gz AQMUHURDVVHUBF-OAHLLOKOSA-N 0 3 352.442 2.420 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000333056404 554565583 /nfs/dbraw/zinc/56/55/83/554565583.db2.gz CMTZQBABXFQSRQ-DKKFBQAASA-N 0 3 365.518 2.251 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000334078394 554675601 /nfs/dbraw/zinc/67/56/01/554675601.db2.gz KOQGAPPHDBQADK-JFRXWTBNSA-N 0 3 365.518 2.251 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@H](C2CC2)N(C)Cc2ccccc2)C1=O ZINC000348608151 554691592 /nfs/dbraw/zinc/69/15/92/554691592.db2.gz ZWEUMDPFOUUBEM-QZTJIDSGSA-N 0 3 357.454 2.020 20 30 FEEDHN CN(CCN1CCCC1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000511168444 561859861 /nfs/dbraw/zinc/85/98/61/561859861.db2.gz HMTVDWDXXZFDCT-UHFFFAOYSA-N 0 3 358.461 2.468 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)ccc1Cl ZINC000361943346 554939617 /nfs/dbraw/zinc/93/96/17/554939617.db2.gz LKDDPDMPXKPKEJ-OAHLLOKOSA-N 0 3 360.845 2.237 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)CC1 ZINC000362743131 554985951 /nfs/dbraw/zinc/98/59/51/554985951.db2.gz ZOLBJMQKKCDHJL-GOSISDBHSA-N 0 3 362.518 2.213 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)c1 ZINC000362916929 554998974 /nfs/dbraw/zinc/99/89/74/554998974.db2.gz DOKAXJLBXOTHHP-KRWDZBQOSA-N 0 3 357.454 2.277 20 30 FEEDHN C=CCc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc(OC)c1OC ZINC000363102124 555030606 /nfs/dbraw/zinc/03/06/06/555030606.db2.gz ZGSCCNSPZBEKGY-SJORKVTESA-N 0 3 360.454 2.025 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CCN(C)C[C@@H]3C)C2)n1 ZINC000363114223 555033747 /nfs/dbraw/zinc/03/37/47/555033747.db2.gz PFBMREZESMNUGS-ZYSHUDEJSA-N 0 3 369.513 2.277 20 30 FEEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)nc1 ZINC000363584799 555141807 /nfs/dbraw/zinc/14/18/07/555141807.db2.gz CMMVXQHXPMUREO-KBAYOESNSA-N 0 3 358.486 2.299 20 30 FEEDHN C=CCN(C[C@@H](O)COC1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363629735 555150299 /nfs/dbraw/zinc/15/02/99/555150299.db2.gz FIKCLUSUWCPZEL-NHCUHLMSSA-N 0 3 374.525 2.305 20 30 FEEDHN C=CCN(C[C@H](O)COC1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363629736 555150676 /nfs/dbraw/zinc/15/06/76/555150676.db2.gz FIKCLUSUWCPZEL-RTWAWAEBSA-N 0 3 374.525 2.305 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(OC[C@H]3CCOC3)CC2)CC1 ZINC000363650809 555155414 /nfs/dbraw/zinc/15/54/14/555155414.db2.gz IOXSEVZXGHGZFV-KRWDZBQOSA-N 0 3 365.518 2.254 20 30 FEEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000363871000 555203169 /nfs/dbraw/zinc/20/31/69/555203169.db2.gz YYOGLUWFZBVQIR-ZWKOTPCHSA-N 0 3 352.523 2.196 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccccc1OCC#N ZINC000364567252 555340375 /nfs/dbraw/zinc/34/03/75/555340375.db2.gz ZDODKZJDXZUHIH-SOLBZPMBSA-N 0 3 357.454 2.208 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000512664803 561911706 /nfs/dbraw/zinc/91/17/06/561911706.db2.gz BMSYKVMHJCBANW-UYAOXDASSA-N 0 3 369.513 2.280 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)N(C)C2CCN(c3ccncc3)CC2)c1 ZINC000364837790 555412224 /nfs/dbraw/zinc/41/22/24/555412224.db2.gz HSANKDCYQJKKLC-UHFFFAOYSA-N 0 3 362.433 2.129 20 30 FEEDHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365147493 555495482 /nfs/dbraw/zinc/49/54/82/555495482.db2.gz BZDQLUOTVJBANW-RTBURBONSA-N 0 3 370.497 2.142 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCN(CC(F)(F)F)CC2)cc1 ZINC000366308522 555808374 /nfs/dbraw/zinc/80/83/74/555808374.db2.gz IDCKWFZVKRWJED-INIZCTEOSA-N 0 3 364.371 2.337 20 30 FEEDHN CN(CC(=O)NC1(C#N)CCCCC1)C1CCN(Cc2ccncc2)CC1 ZINC000367102889 556001060 /nfs/dbraw/zinc/00/10/60/556001060.db2.gz JTTNIJSTPYQSPG-UHFFFAOYSA-N 0 3 369.513 2.320 20 30 FEEDHN C=CCOCCCC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000367434557 556048005 /nfs/dbraw/zinc/04/80/05/556048005.db2.gz IQXDNIDAJUKQTC-NRFANRHFSA-N 0 3 371.525 2.388 20 30 FEEDHN Cc1cc(S(=O)(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000367686065 556114389 /nfs/dbraw/zinc/11/43/89/556114389.db2.gz IMWNVFJPHYQQTD-ROUUACIJSA-N 0 3 359.426 2.121 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000514894125 561985404 /nfs/dbraw/zinc/98/54/04/561985404.db2.gz UWFYWJVLWRIOLT-CABCVRRESA-N 0 3 362.522 2.301 20 30 FEEDHN CCOC(=O)C(C)(C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000514962980 561989058 /nfs/dbraw/zinc/98/90/58/561989058.db2.gz YVAOBGUHCDIUIQ-UHFFFAOYSA-N 0 3 359.470 2.428 20 30 FEEDHN C=CCN(C(=O)NCCc1nc(C)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368437577 556309018 /nfs/dbraw/zinc/30/90/18/556309018.db2.gz VLUHTLGOJFTUBH-GOSISDBHSA-N 0 3 369.469 2.393 20 30 FEEDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000368664018 556378946 /nfs/dbraw/zinc/37/89/46/556378946.db2.gz SYGSGPSIMJEJCF-JKSUJKDBSA-N 0 3 360.483 2.424 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000368925303 556449870 /nfs/dbraw/zinc/44/98/70/556449870.db2.gz QZXZJIOLVQXVMN-NHCUHLMSSA-N 0 3 360.498 2.311 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369013356 556476420 /nfs/dbraw/zinc/47/64/20/556476420.db2.gz ZIFSIPDQKYRACC-MRXNPFEDSA-N 0 3 368.397 2.329 20 30 FEEDHN COc1ccc(CNC[C@@H]2CN3CCC[C@H]3CO2)cc1OCCCC#N ZINC000369037129 556484308 /nfs/dbraw/zinc/48/43/08/556484308.db2.gz VEFFQLLLJRLZJY-ZWKOTPCHSA-N 0 3 359.470 2.331 20 30 FEEDHN C=CCN(C(=O)Cn1ccccc1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000369080503 556499490 /nfs/dbraw/zinc/49/94/90/556499490.db2.gz FZOFEPWGZMIOPB-IBGZPJMESA-N 0 3 351.450 2.137 20 30 FEEDHN CCc1nc(CN2CCC[C@@H](N(C)CCOc3ccccc3C#N)C2)no1 ZINC000369237234 556544727 /nfs/dbraw/zinc/54/47/27/556544727.db2.gz PYGZNOLRBPZSRY-QGZVFWFLSA-N 0 3 369.469 2.479 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000369591825 556641229 /nfs/dbraw/zinc/64/12/29/556641229.db2.gz NAFKZYHAOFPORB-SFHVURJKSA-N 0 3 373.884 2.297 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3F)C2)CC1 ZINC000369756581 556686238 /nfs/dbraw/zinc/68/62/38/556686238.db2.gz GHNCAIWUUCQQQH-MRXNPFEDSA-N 0 3 371.456 2.091 20 30 FEEDHN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000369767021 556689368 /nfs/dbraw/zinc/68/93/68/556689368.db2.gz PKJUHFNXMRDZKC-XLIONFOSSA-N 0 3 351.498 2.269 20 30 FEEDHN CN1CCC[C@H](N2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C1 ZINC000370215803 556813271 /nfs/dbraw/zinc/81/32/71/556813271.db2.gz MPCZNVPLFVHXSM-KRWDZBQOSA-N 0 3 358.511 2.154 20 30 FEEDHN CN(C)C(=O)c1ccc(CN[C@H]2CCCN(c3ccccc3C#N)C2)[nH]1 ZINC000370255650 556822721 /nfs/dbraw/zinc/82/27/21/556822721.db2.gz HLCBIIFCRSHXKJ-KRWDZBQOSA-N 0 3 351.454 2.347 20 30 FEEDHN C=CCC[C@H](O)CN1CCCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000370494441 556889789 /nfs/dbraw/zinc/88/97/89/556889789.db2.gz DRKXSFREHJHDTF-CVEARBPZSA-N 0 3 352.479 2.002 20 30 FEEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1nccc(C#N)c1[N+](=O)[O-] ZINC000370708547 556945626 /nfs/dbraw/zinc/94/56/26/556945626.db2.gz QDQZADVVMAKSAI-HOTGVXAUSA-N 0 3 352.398 2.386 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)Cc2nc(-c3ccccc3)no2)CC1 ZINC000371214413 557109518 /nfs/dbraw/zinc/10/95/18/557109518.db2.gz FDARLRZOBIAKSV-OAHLLOKOSA-N 0 3 352.438 2.129 20 30 FEEDHN C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000371353504 557157571 /nfs/dbraw/zinc/15/75/71/557157571.db2.gz IZCDGGGBDVNLFJ-CNTTWCMLSA-N 0 3 352.482 2.056 20 30 FEEDHN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](c1ccccc1)N(C)C ZINC000518171950 562105692 /nfs/dbraw/zinc/10/56/92/562105692.db2.gz KEFPLPADVKBCFG-KXBFYZLASA-N 0 3 372.494 2.008 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000519586741 562135825 /nfs/dbraw/zinc/13/58/25/562135825.db2.gz SRWLZGCLPTXZLR-KRWDZBQOSA-N 0 3 357.458 2.067 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CNCc1cccc(C(=O)NC)c1 ZINC000519546534 562134286 /nfs/dbraw/zinc/13/42/86/562134286.db2.gz ZLVKCDKXXWLBEH-LJQANCHMSA-N 0 3 354.450 2.304 20 30 FEEDHN C#CC[C@]1(C(=O)N(C)C2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000373022843 557611802 /nfs/dbraw/zinc/61/18/02/557611802.db2.gz HBWNDMVUUJDAMA-HXUWFJFHSA-N 0 3 363.502 2.332 20 30 FEEDHN C#CCCCNC(=O)c1nnn(-c2cccc3c2CCN(CC)C3)c1C ZINC000373108604 557630449 /nfs/dbraw/zinc/63/04/49/557630449.db2.gz IVDHFHLXDVVTPE-UHFFFAOYSA-N 0 3 351.454 2.097 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000373126258 557634176 /nfs/dbraw/zinc/63/41/76/557634176.db2.gz PCBGXSAKDBDYHZ-CYBMUJFWSA-N 0 3 354.454 2.137 20 30 FEEDHN CCOc1ccc(NC(=O)CCN2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000373398178 557686846 /nfs/dbraw/zinc/68/68/46/557686846.db2.gz FFRINEWILNZQPI-UHFFFAOYSA-N 0 3 368.441 2.214 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000373848540 557772523 /nfs/dbraw/zinc/77/25/23/557772523.db2.gz CRSSETJEPBTZFD-IRXDYDNUSA-N 0 3 358.401 2.483 20 30 FEEDHN C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C[C@H](C)O2 ZINC000374016768 557808379 /nfs/dbraw/zinc/80/83/79/557808379.db2.gz GGTSOJXLWPZEDH-KPYYAMLLSA-N 0 3 367.449 2.426 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1 ZINC000374565430 557900433 /nfs/dbraw/zinc/90/04/33/557900433.db2.gz GZFJXHZKGVBKRO-WMZOPIPTSA-N 0 3 353.422 2.327 20 30 FEEDHN N#Cc1cccc(OCCCN2CCC(N3C(=O)CCCC3=O)CC2)c1 ZINC000375329757 558010002 /nfs/dbraw/zinc/01/00/02/558010002.db2.gz WDKCRMMDNFFIBA-UHFFFAOYSA-N 0 3 355.438 2.331 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000375595651 558054471 /nfs/dbraw/zinc/05/44/71/558054471.db2.gz IAPINZGJXSFJHH-NVXWUHKLSA-N 0 3 353.470 2.131 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000375595652 558054539 /nfs/dbraw/zinc/05/45/39/558054539.db2.gz IAPINZGJXSFJHH-RDJZCZTQSA-N 0 3 353.470 2.131 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000375770445 558079603 /nfs/dbraw/zinc/07/96/03/558079603.db2.gz UCVATNZYRKRKLU-GDBMZVCRSA-N 0 3 363.483 2.024 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(-c3nc[nH]n3)c2)cc1 ZINC000375871933 558091953 /nfs/dbraw/zinc/09/19/53/558091953.db2.gz LZQWTNKARQFRTA-SFHVURJKSA-N 0 3 356.389 2.342 20 30 FEEDHN C#CCCCS(=O)(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000376289768 558153109 /nfs/dbraw/zinc/15/31/09/558153109.db2.gz MHGZZBLPABYUCV-QGZVFWFLSA-N 0 3 362.495 2.307 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(CN3CCCC3=O)CC2)cc1 ZINC000376442195 558173748 /nfs/dbraw/zinc/17/37/48/558173748.db2.gz PPRPLRPGJHUALH-LJQANCHMSA-N 0 3 364.449 2.102 20 30 FEEDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000521757613 562183179 /nfs/dbraw/zinc/18/31/79/562183179.db2.gz WPWSHMPPHCCZGH-GOSISDBHSA-N 0 3 354.454 2.123 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000376622252 558198882 /nfs/dbraw/zinc/19/88/82/558198882.db2.gz NUJPZOYGJYDRFF-OAHLLOKOSA-N 0 3 362.424 2.263 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1 ZINC000377334629 558317930 /nfs/dbraw/zinc/31/79/30/558317930.db2.gz OTHQWIKYKQJDPE-WBVHZDCISA-N 0 3 357.454 2.275 20 30 FEEDHN COC(=O)c1cc(CN2CCCN(c3ccc(C#N)cc3)CC2)cn1C ZINC000377647249 558386169 /nfs/dbraw/zinc/38/61/69/558386169.db2.gz JZMXRLLIOFVUEP-UHFFFAOYSA-N 0 3 352.438 2.396 20 30 FEEDHN CN1CC[C@@H](NCC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000377685345 558396371 /nfs/dbraw/zinc/39/63/71/558396371.db2.gz ZXWKKPYPJCBHSH-IEBWSBKVSA-N 0 3 373.888 2.331 20 30 FEEDHN CN1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000377759873 558413639 /nfs/dbraw/zinc/41/36/39/558413639.db2.gz IAUQVCDZXVUQFT-PBHICJAKSA-N 0 3 368.462 2.367 20 30 FEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(C)(CN2CCOCC2)CC1 ZINC000378268270 558515713 /nfs/dbraw/zinc/51/57/13/558515713.db2.gz DSLFDANKPGTBBZ-KRWDZBQOSA-N 0 3 370.497 2.320 20 30 FEEDHN CC(C#N)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000524071046 562223756 /nfs/dbraw/zinc/22/37/56/562223756.db2.gz XRWQGDRUPBQJGC-LLVKDONJSA-N 0 3 352.232 2.073 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000408137665 558650714 /nfs/dbraw/zinc/65/07/14/558650714.db2.gz GWUPDQSVCBJZSM-KRWDZBQOSA-N 0 3 362.518 2.071 20 30 FEEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000409757161 558718805 /nfs/dbraw/zinc/71/88/05/558718805.db2.gz DQFZWLDGAMBVIS-AEFFLSMTSA-N 0 3 366.469 2.081 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000410137646 558741531 /nfs/dbraw/zinc/74/15/31/558741531.db2.gz NOZOMFMWPWSCCM-OAHLLOKOSA-N 0 3 352.504 2.186 20 30 FEEDHN C=CC1CCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(C)c2)CC1 ZINC000411222647 558855797 /nfs/dbraw/zinc/85/57/97/558855797.db2.gz WXGHJGHJEYUVKL-UHFFFAOYSA-N 0 3 359.470 2.299 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC)c(SC)c2)CC1 ZINC000411255337 558861701 /nfs/dbraw/zinc/86/17/01/558861701.db2.gz GWDQPROGKHMLQM-UHFFFAOYSA-N 0 3 363.483 2.122 20 30 FEEDHN CO[C@@](C)([C@H](C)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000411968932 558997160 /nfs/dbraw/zinc/99/71/60/558997160.db2.gz KQHFUQTWJLRROZ-XOBRGWDASA-N 0 3 367.453 2.476 20 30 FEEDHN C=CC[C@@H](C(=O)N[C@H](C)C(=O)NCCN1CCCCC1)c1ccccc1 ZINC000412325934 559027879 /nfs/dbraw/zinc/02/78/79/559027879.db2.gz ZDVZHKVFQVICII-IEBWSBKVSA-N 0 3 357.498 2.453 20 30 FEEDHN CS(=O)(=O)c1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000413946172 559142400 /nfs/dbraw/zinc/14/24/00/559142400.db2.gz OKURMBDRGJTIND-MRXNPFEDSA-N 0 3 356.447 2.479 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@H]2CNCCO2)cc1OC ZINC000415093033 559204899 /nfs/dbraw/zinc/20/48/99/559204899.db2.gz HHZGJRYVRFBHFD-CYBMUJFWSA-N 0 3 371.275 2.101 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000415420481 559233904 /nfs/dbraw/zinc/23/39/04/559233904.db2.gz AOMQNTWLGUTLIG-HNNXBMFYSA-N 0 3 359.474 2.077 20 30 FEEDHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000415832593 559276313 /nfs/dbraw/zinc/27/63/13/559276313.db2.gz GWBSPTTXGRRFLR-GOSISDBHSA-N 0 3 350.422 2.070 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1=O ZINC000415969936 559285839 /nfs/dbraw/zinc/28/58/39/559285839.db2.gz KTIPASHNFUFKCC-AWEZNQCLSA-N 0 3 370.375 2.415 20 30 FEEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000416462540 559314877 /nfs/dbraw/zinc/31/48/77/559314877.db2.gz QZNUMWYHOWPPGF-GOSISDBHSA-N 0 3 365.433 2.315 20 30 FEEDHN CN1CCN(c2ncc(CN[C@H]3CCCc4cc(C#N)ccc43)cn2)CC1 ZINC000418145817 559391795 /nfs/dbraw/zinc/39/17/95/559391795.db2.gz OFNDNRYXUDWLNK-FQEVSTJZSA-N 0 3 362.481 2.267 20 30 FEEDHN N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418458140 559402560 /nfs/dbraw/zinc/40/25/60/559402560.db2.gz WNEPHSSBJUWDKQ-LJQANCHMSA-N 0 3 363.465 2.480 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418812335 559417051 /nfs/dbraw/zinc/41/70/51/559417051.db2.gz BFUVPQXAKKFJJQ-QYZOEREBSA-N 0 3 373.497 2.023 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419064082 559426843 /nfs/dbraw/zinc/42/68/43/559426843.db2.gz XGJAYIXYOJFABE-RTBURBONSA-N 0 3 357.498 2.314 20 30 FEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000419603265 559449442 /nfs/dbraw/zinc/44/94/42/559449442.db2.gz BAZYHEFALVMHJC-MJGOQNOKSA-N 0 3 356.470 2.082 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(OC)cccc2SC)CC1 ZINC000419671936 559452972 /nfs/dbraw/zinc/45/29/72/559452972.db2.gz HLRVVOJQTGIVFR-UHFFFAOYSA-N 0 3 363.483 2.122 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000422533838 559593355 /nfs/dbraw/zinc/59/33/55/559593355.db2.gz YDICEMPNFIGICM-PXNSSMCTSA-N 0 3 371.525 2.479 20 30 FEEDHN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H](N)CCCC#N ZINC000424072104 559653777 /nfs/dbraw/zinc/65/37/77/559653777.db2.gz CHSIMDZBFWKHFS-LBPRGKRZSA-N 0 3 357.241 2.411 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000424116631 559655338 /nfs/dbraw/zinc/65/53/38/559655338.db2.gz XNRATGOABXOHBM-GJZGRUSLSA-N 0 3 366.259 2.370 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000424167176 559656582 /nfs/dbraw/zinc/65/65/82/559656582.db2.gz GWSJXHUAYMMENK-HUUCEWRRSA-N 0 3 353.369 2.209 20 30 FEEDHN C=CCC1(C(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)CCOCC1 ZINC000424710668 559674357 /nfs/dbraw/zinc/67/43/57/559674357.db2.gz IDEHWQAXXKKDTH-KRWDZBQOSA-N 0 3 362.470 2.299 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000425521795 559707664 /nfs/dbraw/zinc/70/76/64/559707664.db2.gz KZEQSXBXHGDXKM-UFYCRDLUSA-N 0 3 373.497 2.168 20 30 FEEDHN CC(C)CN1CCO[C@@H](CNC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547022 559709075 /nfs/dbraw/zinc/70/90/75/559709075.db2.gz WWNUUXFAOFNTEW-PXNSSMCTSA-N 0 3 372.513 2.024 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)nn1 ZINC000425651652 559713080 /nfs/dbraw/zinc/71/30/80/559713080.db2.gz YNEUEBKYRXCBAC-GOSISDBHSA-N 0 3 356.474 2.129 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425875886 559723633 /nfs/dbraw/zinc/72/36/33/559723633.db2.gz FONVYFLTNGZCEG-INIZCTEOSA-N 0 3 368.481 2.234 20 30 FEEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000427707163 559760683 /nfs/dbraw/zinc/76/06/83/559760683.db2.gz PKORDBSTTHQSAW-OAHLLOKOSA-N 0 3 359.474 2.046 20 30 FEEDHN C=CCN(C)CCN(CC)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000429703863 559804174 /nfs/dbraw/zinc/80/41/74/559804174.db2.gz TVSMASZUCRGWFD-HNNXBMFYSA-N 0 3 354.292 2.415 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2ccccn2)cc1 ZINC000429932749 559809047 /nfs/dbraw/zinc/80/90/47/559809047.db2.gz LCXRKOSKZSYUIY-ZDUSSCGKSA-N 0 3 358.423 2.132 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)c2ccccc2)cc1 ZINC000429947805 559809526 /nfs/dbraw/zinc/80/95/26/559809526.db2.gz UTYXRPJMVMOCQJ-SUMWQHHRSA-N 0 3 373.434 2.227 20 30 FEEDHN CCn1cccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1=O ZINC000433202636 559873362 /nfs/dbraw/zinc/87/33/62/559873362.db2.gz SCLNUTVEIWATTO-UHFFFAOYSA-N 0 3 362.437 2.330 20 30 FEEDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433321255 559876879 /nfs/dbraw/zinc/87/68/79/559876879.db2.gz XFBAWYYBASVOOY-BHIYHBOVSA-N 0 3 371.481 2.149 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000433357179 559878301 /nfs/dbraw/zinc/87/83/01/559878301.db2.gz WPWCAVBWCYBBEN-IAGOWNOFSA-N 0 3 357.479 2.187 20 30 FEEDHN C=C(C)CS(=O)(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000435420764 559922409 /nfs/dbraw/zinc/92/24/09/559922409.db2.gz DOGDFUBVWFOWMH-MRXNPFEDSA-N 0 3 352.500 2.382 20 30 FEEDHN CCOc1ccccc1CN1CCN(CCC(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000441333277 560028878 /nfs/dbraw/zinc/02/88/78/560028878.db2.gz TZJDBXATPROXGT-SFHVURJKSA-N 0 3 372.513 2.354 20 30 FEEDHN COc1cccc(C2(NCCC(=O)N(C)CCC#N)CCOCC2)c1F ZINC000447358436 560160841 /nfs/dbraw/zinc/16/08/41/560160841.db2.gz YOWUYZDMYNYLPU-UHFFFAOYSA-N 0 3 363.433 2.192 20 30 FEEDHN C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N(C)C1CC1 ZINC000448891646 560205230 /nfs/dbraw/zinc/20/52/30/560205230.db2.gz UVOSAMLYXGPAJG-OCCSQVGLSA-N 0 3 374.872 2.163 20 30 FEEDHN C[C@H]1CCN(C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000449857542 560242886 /nfs/dbraw/zinc/24/28/86/560242886.db2.gz RPJVCNLRJNNSPC-LBPRGKRZSA-N 0 3 366.259 2.252 20 30 FEEDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 ZINC000450134229 560251611 /nfs/dbraw/zinc/25/16/11/560251611.db2.gz OIYCKUNUHYKPAZ-UZLBHIALSA-N 0 3 357.454 2.400 20 30 FEEDHN C[C@H]1[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCCN1C ZINC000450547014 560265797 /nfs/dbraw/zinc/26/57/97/560265797.db2.gz LUOTZBZXGVSWRV-FZMZJTMJSA-N 0 3 366.259 2.298 20 30 FEEDHN CN(CCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)Cc1ccccc1 ZINC000450611918 560267951 /nfs/dbraw/zinc/26/79/51/560267951.db2.gz JMCHPDGGDHKCGZ-PGRDOPGGSA-N 0 3 360.461 2.464 20 30 FEEDHN CCCCO[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C ZINC000450964095 560280302 /nfs/dbraw/zinc/28/03/02/560280302.db2.gz CSTHIIKRYGAEMA-HZPDHXFCSA-N 0 3 365.499 2.300 20 30 FEEDHN N#CCc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000451044471 560284463 /nfs/dbraw/zinc/28/44/63/560284463.db2.gz PZNNEIUFMJTHQP-CYBMUJFWSA-N 0 3 353.875 2.169 20 30 FEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000451234340 560294824 /nfs/dbraw/zinc/29/48/24/560294824.db2.gz CWDQAADQWIVHRX-SJORKVTESA-N 0 3 364.467 2.043 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000451679528 560321534 /nfs/dbraw/zinc/32/15/34/560321534.db2.gz YTRLDNYAHKEEHA-OLZOCXBDSA-N 0 3 352.456 2.413 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000452125294 560352828 /nfs/dbraw/zinc/35/28/28/560352828.db2.gz YPHLGCZZAXZJFI-CQSZACIVSA-N 0 3 362.440 2.343 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)NCCN2CCCCCC2)c(Cl)c1 ZINC000453591361 560390140 /nfs/dbraw/zinc/39/01/40/560390140.db2.gz IPXACCMLNUSJCZ-UHFFFAOYSA-N 0 3 362.861 2.337 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000454320959 560439696 /nfs/dbraw/zinc/43/96/96/560439696.db2.gz IVBQOKFAWFNDIH-AABGKKOBSA-N 0 3 372.513 2.008 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C[C@H]2CCCCN2C1=O)C(C)C ZINC000455623022 560489597 /nfs/dbraw/zinc/48/95/97/560489597.db2.gz MCLXFXKNERBEIB-FGTMMUONSA-N 0 3 362.518 2.138 20 30 FEEDHN CN(C)CCOc1cnccc1CNC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455763941 560494132 /nfs/dbraw/zinc/49/41/32/560494132.db2.gz PVWSUVSACOLBKO-UHFFFAOYSA-N 0 3 374.832 2.264 20 30 FEEDHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1=O ZINC000456099353 560506860 /nfs/dbraw/zinc/50/68/60/560506860.db2.gz BHCHUQCVHNVSGA-OAHLLOKOSA-N 0 3 372.469 2.084 20 30 FEEDHN C=CCOc1ccc(CC(=O)NC(C)(C)CN2CCN(CC)CC2)cc1 ZINC000456876048 560535065 /nfs/dbraw/zinc/53/50/65/560535065.db2.gz FYRHNVSQUPIISF-UHFFFAOYSA-N 0 3 359.514 2.326 20 30 FEEDHN COCCN(CC#N)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000457209318 560555920 /nfs/dbraw/zinc/55/59/20/560555920.db2.gz YPNSEHKYRDPCPG-INIZCTEOSA-N 0 3 351.397 2.142 20 30 FEEDHN COc1cc(CNC(=O)c2cc(C)c(C#N)cn2)ccc1OCCN(C)C ZINC000457545289 560573679 /nfs/dbraw/zinc/57/36/79/560573679.db2.gz XZOZZKZOPBGCJF-UHFFFAOYSA-N 0 3 368.437 2.141 20 30 FEEDHN CN1CC[C@@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000457569335 560575361 /nfs/dbraw/zinc/57/53/61/560575361.db2.gz AMLNUWUHTCFSQP-ZBFHGGJFSA-N 0 3 351.372 2.402 20 30 FEEDHN N#CCCC[C@@H](NC(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000458379320 560618710 /nfs/dbraw/zinc/61/87/10/560618710.db2.gz XVITZJPSGBWVLQ-LJQANCHMSA-N 0 3 358.486 2.425 20 30 FEEDHN CN(C)CC(C)(C)NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000458678011 560640057 /nfs/dbraw/zinc/64/00/57/560640057.db2.gz HFKUEHNACQTKSW-UHFFFAOYSA-N 0 3 359.474 2.283 20 30 FEEDHN CO[C@@H]([C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000459211050 560674295 /nfs/dbraw/zinc/67/42/95/560674295.db2.gz WVVLJPAQSQVTRG-KXBFYZLASA-N 0 3 358.486 2.445 20 30 FEEDHN CN1CCN(CC2(C)CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000459402829 560684393 /nfs/dbraw/zinc/68/43/93/560684393.db2.gz NQYUICPJIKSBLP-UHFFFAOYSA-N 0 3 371.485 2.316 20 30 FEEDHN CC[C@@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000459930122 560720817 /nfs/dbraw/zinc/72/08/17/560720817.db2.gz SHGHXZAIPQMHLP-NRFANRHFSA-N 0 3 370.497 2.097 20 30 FEEDHN C=C(C)Cn1c(CC2CC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000460380417 560742653 /nfs/dbraw/zinc/74/26/53/560742653.db2.gz NFNHYOXFYLMZIE-INIZCTEOSA-N 0 3 359.518 2.496 20 30 FEEDHN C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000460555991 560746036 /nfs/dbraw/zinc/74/60/36/560746036.db2.gz GTDJXLKNGFNRON-GOSISDBHSA-N 0 3 360.550 2.269 20 30 FEEDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000463680255 560821007 /nfs/dbraw/zinc/82/10/07/560821007.db2.gz WIDOOZDRPQUWKP-INIZCTEOSA-N 0 3 365.499 2.500 20 30 FEEDHN COC(=O)COc1ccc(CNCCc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000466426663 560886825 /nfs/dbraw/zinc/88/68/25/560886825.db2.gz WHERHEYAAWETST-UHFFFAOYSA-N 0 3 369.377 2.351 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CN1CCc2ccccc2C1=O)C(C)C ZINC000468505198 560931677 /nfs/dbraw/zinc/93/16/77/560931677.db2.gz DGOWXNYEWXIVIT-FQEVSTJZSA-N 0 3 369.509 2.500 20 30 FEEDHN COc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cc1C#N ZINC000470805422 560989887 /nfs/dbraw/zinc/98/98/87/560989887.db2.gz YRFSWQCCNMSUPA-ROUUACIJSA-N 0 3 369.444 2.401 20 30 FEEDHN Cc1cccc(C(=O)NCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470835505 560991068 /nfs/dbraw/zinc/99/10/68/560991068.db2.gz ZHSIIEGFWDVSOV-IBGZPJMESA-N 0 3 360.417 2.095 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000470988081 560996003 /nfs/dbraw/zinc/99/60/03/560996003.db2.gz BNEIMTWXQZLMNE-PKOBYXMFSA-N 0 3 353.422 2.037 20 30 FEEDHN CS(=O)(=O)c1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000471158216 560999494 /nfs/dbraw/zinc/99/94/94/560999494.db2.gz VVTMLQGINXFBIK-AWEZNQCLSA-N 0 3 373.459 2.022 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)N1CCOCC1 ZINC000471620482 561008919 /nfs/dbraw/zinc/00/89/19/561008919.db2.gz JSDKPEOXJPLRPR-WOJBJXKFSA-N 0 3 368.481 2.104 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)C(C)C ZINC000474062687 561064729 /nfs/dbraw/zinc/06/47/29/561064729.db2.gz WPYGBEIOVNULDY-QWFCFKBJSA-N 0 3 365.518 2.274 20 30 FEEDHN COC1CCN(C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000475791725 561105384 /nfs/dbraw/zinc/10/53/84/561105384.db2.gz AMNIOUFPXQEQLJ-UHFFFAOYSA-N 0 3 371.547 2.269 20 30 FEEDHN N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000528283718 562320536 /nfs/dbraw/zinc/32/05/36/562320536.db2.gz CQEKKPUZAVHYDW-LJQANCHMSA-N 0 3 367.497 2.407 20 30 FEEDHN COCC[C@H]1CCCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528454115 562330298 /nfs/dbraw/zinc/33/02/98/562330298.db2.gz SRIQTADURAZQMN-QGZVFWFLSA-N 0 3 354.450 2.425 20 30 FEEDHN CN(C)C(=O)[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000528681326 562341509 /nfs/dbraw/zinc/34/15/09/562341509.db2.gz DSRSYOFUTXQDKR-OCCSQVGLSA-N 0 3 356.451 2.025 20 30 FEEDHN CCOC[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000528722845 562343851 /nfs/dbraw/zinc/34/38/51/562343851.db2.gz IURYQUBQNCDEQR-KGLIPLIRSA-N 0 3 359.451 2.210 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000528994118 562355793 /nfs/dbraw/zinc/35/57/93/562355793.db2.gz CEPWWTZLMQNDGT-IWAHSAMASA-N 0 3 350.365 2.349 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCCN(c2ccccc2)C1=O ZINC000530230184 562403048 /nfs/dbraw/zinc/40/30/48/562403048.db2.gz FDHFHJFTGCHTQD-MOPGFXCFSA-N 0 3 365.433 2.083 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCN(c2ncccc2Cl)C1 ZINC000530230928 562403078 /nfs/dbraw/zinc/40/30/78/562403078.db2.gz DSAFUTNPMIGZGX-HOTGVXAUSA-N 0 3 372.856 2.215 20 30 FEEDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)Cc1cccc(C#N)c1 ZINC000530668575 562419968 /nfs/dbraw/zinc/41/99/68/562419968.db2.gz CHLBLRPCGAUFEL-LJQANCHMSA-N 0 3 371.481 2.367 20 30 FEEDHN CCCN(C)CC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000530983821 562430713 /nfs/dbraw/zinc/43/07/13/562430713.db2.gz RHEBHBHTYOZLDF-UHFFFAOYSA-N 0 3 368.485 2.025 20 30 FEEDHN CN(C)c1nccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 ZINC000541164206 562604791 /nfs/dbraw/zinc/60/47/91/562604791.db2.gz ZWYHJINBRFWFNG-INIZCTEOSA-N 0 3 354.433 2.312 20 30 FEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000584656341 567940342 /nfs/dbraw/zinc/94/03/42/567940342.db2.gz UOVQXPWRYWWNOO-JEBQAFNWSA-N 0 3 353.397 2.418 20 30 FEEDHN CCN1CCN(c2ccc(CN[C@H](C)CC3(C#N)CCOCC3)cn2)CC1 ZINC000602513719 567989513 /nfs/dbraw/zinc/98/95/13/567989513.db2.gz HBFBCJCZUOMCEF-GOSISDBHSA-N 0 3 371.529 2.412 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCc3nc(C4CC4)ncc3C2)CC1 ZINC000636741589 567997044 /nfs/dbraw/zinc/99/70/44/567997044.db2.gz GVNSJRGEDXRTBN-UHFFFAOYSA-N 0 3 355.486 2.462 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000602673546 568008493 /nfs/dbraw/zinc/00/84/93/568008493.db2.gz DBWIVJIGFSZKKC-HNNXBMFYSA-N 0 3 365.499 2.125 20 30 FEEDHN N#CCCN(C(=O)Cn1cc(CCN2CCCCC2)nn1)c1ccccc1 ZINC000603163695 568069820 /nfs/dbraw/zinc/06/98/20/568069820.db2.gz CLOHZLTYJXZPGM-UHFFFAOYSA-N 0 3 366.469 2.253 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cc(CCN(C)C)nn1 ZINC000603214788 568076626 /nfs/dbraw/zinc/07/66/26/568076626.db2.gz DVIIWBCUVBPPAA-AWEZNQCLSA-N 0 3 372.498 2.273 20 30 FEEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000603842985 568155315 /nfs/dbraw/zinc/15/53/15/568155315.db2.gz VWYHPYQKLQWPHT-ROUUACIJSA-N 0 3 352.438 2.162 20 30 FEEDHN COc1cccc([C@H](CNCc2cnc3c(C#N)cnn3c2)N(C)C)c1 ZINC000569945504 568444036 /nfs/dbraw/zinc/44/40/36/568444036.db2.gz QROGCGHVKNJVHT-SFHVURJKSA-N 0 3 350.426 2.002 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820420482 599302845 /nfs/dbraw/zinc/30/28/45/599302845.db2.gz RQOCBAVPTLQQIM-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420482 599302847 /nfs/dbraw/zinc/30/28/47/599302847.db2.gz RQOCBAVPTLQQIM-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)N(C)c1ccccc1 ZINC000562986557 674831073 /nfs/dbraw/zinc/83/10/73/674831073.db2.gz ZEBJZPBZHPPVLU-MRXNPFEDSA-N 0 3 357.479 2.446 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000815082620 674913854 /nfs/dbraw/zinc/91/38/54/674913854.db2.gz BZIZRECLQFXIQI-UHFFFAOYSA-N 0 3 365.282 2.235 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000815082317 674913939 /nfs/dbraw/zinc/91/39/39/674913939.db2.gz KOADGSMYZRSOSQ-UKTHLTGXSA-N 0 3 371.300 2.294 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000815083209 674914484 /nfs/dbraw/zinc/91/44/84/674914484.db2.gz QRUKTTNJTDNCLN-UHFFFAOYSA-N 0 3 366.817 2.175 20 30 FEEDHN C#CCNC(=O)CCN(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000815099892 674917926 /nfs/dbraw/zinc/91/79/26/674917926.db2.gz OCEPRFNCFQKKJQ-CQSZACIVSA-N 0 3 351.244 2.344 20 30 FEEDHN C=CCn1c(C)nnc1SCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000025320223 670061312 /nfs/dbraw/zinc/06/13/12/670061312.db2.gz ZADUTMRIXZQOKW-INIZCTEOSA-N 0 3 359.499 2.284 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(=O)n2cc(Br)ccc2n1 ZINC000570161890 670670863 /nfs/dbraw/zinc/67/08/63/670670863.db2.gz VTHNGBJMYWBUDI-KGLIPLIRSA-N 0 3 364.243 2.280 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000570739120 670761808 /nfs/dbraw/zinc/76/18/08/670761808.db2.gz QWCYZKBDYGTJES-CRAIPNDOSA-N 0 3 360.889 2.391 20 30 FEEDHN Cc1nnc(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)n1N ZINC000110134512 670847866 /nfs/dbraw/zinc/84/78/66/670847866.db2.gz DJSFCMCYPDGBDD-GFCCVEGCSA-N 0 3 370.463 2.392 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO ZINC000581487408 671902806 /nfs/dbraw/zinc/90/28/06/671902806.db2.gz MGMGTXNOKXOUMH-AWEZNQCLSA-N 0 3 361.833 2.155 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000125174114 672007959 /nfs/dbraw/zinc/00/79/59/672007959.db2.gz ALOSVPRKLHOFAC-QWHCGFSZSA-N 0 3 352.818 2.277 20 30 FEEDHN N#Cc1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000610613782 675984292 /nfs/dbraw/zinc/98/42/92/675984292.db2.gz MAEQDXZZSGGVKR-HZPDHXFCSA-N 0 3 351.397 2.191 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(CCC(=O)OCC)CC2)CC1 ZINC000610984714 676008725 /nfs/dbraw/zinc/00/87/25/676008725.db2.gz MMVUPAHNQAVVLA-UHFFFAOYSA-N 0 3 351.491 2.402 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000611232397 676026954 /nfs/dbraw/zinc/02/69/54/676026954.db2.gz VITJYMPWWULGNT-INIZCTEOSA-N 0 3 351.447 2.087 20 30 FEEDHN C=CCNc1nnc(SC[C@H](O)CN(C)Cc2ccccc2)s1 ZINC000588690328 672472805 /nfs/dbraw/zinc/47/28/05/672472805.db2.gz WMICMSHTAKAQDA-CQSZACIVSA-N 0 3 350.513 2.721 20 30 FEEDHN CN1C[C@H]2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)[C@H]2C1 ZINC000590012739 672554680 /nfs/dbraw/zinc/55/46/80/672554680.db2.gz XDOBZISKBHEFMJ-CJNGLKHVSA-N 0 3 358.511 2.463 20 30 FEEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(F)c(Br)c1 ZINC000591735170 672706330 /nfs/dbraw/zinc/70/63/30/672706330.db2.gz WQARFJYMIGAVRC-DGCLKSJQSA-N 0 3 358.255 2.445 20 30 FEEDHN COc1cc(NC(=O)CCN2CC[C@@](O)(CC#N)C2)c(OC)cc1Cl ZINC000592152517 672764808 /nfs/dbraw/zinc/76/48/08/672764808.db2.gz YNZXAVMCEQZDEJ-KRWDZBQOSA-N 0 3 367.833 2.036 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594325723 673058874 /nfs/dbraw/zinc/05/88/74/673058874.db2.gz ITEHOFJXXVESPS-HOCLYGCPSA-N 0 3 360.845 2.283 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)N1CCOc2cccc(F)c2C1 ZINC000328739802 673065981 /nfs/dbraw/zinc/06/59/81/673065981.db2.gz MUSBVVGWEDBWCT-AWEZNQCLSA-N 0 3 351.422 2.045 20 30 FEEDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595631684 673276230 /nfs/dbraw/zinc/27/62/30/673276230.db2.gz JWNAGLUBXQLBDE-VMGRFDJRSA-N 0 3 365.861 2.306 20 30 FEEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(N3CCOCC3)nc2)sc1C ZINC000536622424 673372593 /nfs/dbraw/zinc/37/25/93/673372593.db2.gz BGAIFNSWJDBTRL-AWEZNQCLSA-N 0 3 357.439 2.237 20 30 FEEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(N3CCOCC3)nc2)sc1C ZINC000536622425 673372733 /nfs/dbraw/zinc/37/27/33/673372733.db2.gz BGAIFNSWJDBTRL-CQSZACIVSA-N 0 3 357.439 2.237 20 30 FEEDHN CC(C)[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN1 ZINC000598571123 673585008 /nfs/dbraw/zinc/58/50/08/673585008.db2.gz GNVPDOXPZGSXJI-HNNXBMFYSA-N 0 3 350.260 2.320 20 30 FEEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000598724864 673603634 /nfs/dbraw/zinc/60/36/34/673603634.db2.gz RYWJBZQOOKPDMI-SWLSCSKDSA-N 0 3 353.825 2.475 20 30 FEEDHN C[C@](O)(C1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1)C(F)(F)F ZINC000599367001 673664634 /nfs/dbraw/zinc/66/46/34/673664634.db2.gz ZZHGFOPXNJOABE-GJZGRUSLSA-N 0 3 364.408 2.083 20 30 FEEDHN CN(CC(F)(F)F)C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599630103 673699348 /nfs/dbraw/zinc/69/93/48/673699348.db2.gz HYUXJBCAKMUVLM-UHFFFAOYSA-N 0 3 355.360 2.174 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H](CCO)c2ccccc2)cc1 ZINC000566235509 675197205 /nfs/dbraw/zinc/19/72/05/675197205.db2.gz YAWNFDIRZMABNW-SFHVURJKSA-N 0 3 358.463 2.088 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C ZINC000818589098 675226443 /nfs/dbraw/zinc/22/64/43/675226443.db2.gz QKDAYELUXZXQPO-UHFFFAOYSA-N 0 3 366.487 2.483 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000818606159 675228207 /nfs/dbraw/zinc/22/82/07/675228207.db2.gz FNLUUVJGONTSFV-UHFFFAOYSA-N 0 3 353.806 2.088 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000818611841 675228434 /nfs/dbraw/zinc/22/84/34/675228434.db2.gz FLHCDZVFLCNNDX-UHFFFAOYSA-N 0 3 358.467 2.355 20 30 FEEDHN C=CCOc1cccc(CNC[C@@H]2CCCCN2S(=O)(=O)N(C)C)c1 ZINC000567079614 675265405 /nfs/dbraw/zinc/26/54/05/675265405.db2.gz RPADMRUSAWEZAJ-KRWDZBQOSA-N 0 3 367.515 2.002 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000819197252 675268879 /nfs/dbraw/zinc/26/88/79/675268879.db2.gz HOYXTOSAUHGJOD-BZUAXINKSA-N 0 3 368.549 2.301 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000819198900 675269141 /nfs/dbraw/zinc/26/91/41/675269141.db2.gz VOMXNDVIHNDOJC-BZUAXINKSA-N 0 3 368.549 2.301 20 30 FEEDHN C=CC1(CC(=O)N2CCN[C@@H](C(C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000826762355 675704050 /nfs/dbraw/zinc/70/40/50/675704050.db2.gz GPIYBHNETMVRTF-OAHLLOKOSA-N 0 3 351.491 2.256 20 30 FEEDHN C[C@]12CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@]1(C)C(=O)NC2=O ZINC000639950809 677169703 /nfs/dbraw/zinc/16/97/03/677169703.db2.gz DSDXKSFCMKXLCO-IAGOWNOFSA-N 0 3 350.340 2.042 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000838623206 680706771 /nfs/dbraw/zinc/70/67/71/680706771.db2.gz UYODEWNIHQPTCR-WBMJQRKESA-N 0 3 355.841 2.155 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000765784259 680855230 /nfs/dbraw/zinc/85/52/30/680855230.db2.gz SIYVNALCNAUGHT-CYBMUJFWSA-N 0 3 361.433 2.302 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC000975224322 680023232 /nfs/dbraw/zinc/02/32/32/680023232.db2.gz OKLNOBJGSQHVAN-FVQBIDKESA-N 0 3 367.921 2.166 20 30 FEEDHN C=CCCC[C@@H](N)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000912044586 685304676 /nfs/dbraw/zinc/30/46/76/685304676.db2.gz XQWBVYYSEUUQFX-CYBMUJFWSA-N 0 3 368.275 2.496 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1N(CCc1ccns1)CC2 ZINC000992242440 680097761 /nfs/dbraw/zinc/09/77/61/680097761.db2.gz RNKDLLUSTGWVLL-SFNKJDCFSA-N 0 3 361.511 2.390 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cnc(C)s3)C[C@H]21 ZINC000978843637 680181682 /nfs/dbraw/zinc/18/16/82/680181682.db2.gz UAZKQYQIRLGYMS-TXTZMMAHSA-N 0 3 361.511 2.227 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000751595277 680188833 /nfs/dbraw/zinc/18/88/33/680188833.db2.gz HPWMIQIWPSJMLQ-MRXNPFEDSA-N 0 3 351.491 2.446 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC(NCc2ncc(Cl)n2C)CC1 ZINC001026563947 680347249 /nfs/dbraw/zinc/34/72/49/680347249.db2.gz PPQQDWSJIWNPNH-CVSAEHQPSA-N 0 3 366.893 2.182 20 30 FEEDHN CN(Cc1ccc(C#N)s1)CC1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001029966891 680395479 /nfs/dbraw/zinc/39/54/79/680395479.db2.gz KVZANWMFSNSSKK-KXBFYZLASA-N 0 3 359.495 2.327 20 30 FEEDHN C=C(Br)CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000999413579 680402837 /nfs/dbraw/zinc/40/28/37/680402837.db2.gz RXEBWEYMHWIXNR-JHJVBQTASA-N 0 3 353.264 2.002 20 30 FEEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000755751926 680433439 /nfs/dbraw/zinc/43/34/39/680433439.db2.gz SDLWYSIUCJTSRL-SGMGOOAPSA-N 0 3 351.447 2.303 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(OC)cc1C(F)(F)F ZINC000836269691 680442837 /nfs/dbraw/zinc/44/28/37/680442837.db2.gz GMOYSVAAGXHBRB-UHFFFAOYSA-N 0 3 357.376 2.468 20 30 FEEDHN CN1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)C1=O ZINC000756034308 680455463 /nfs/dbraw/zinc/45/54/63/680455463.db2.gz IBFZDOOONPOEBN-LBPRGKRZSA-N 0 3 356.451 2.025 20 30 FEEDHN Cc1nsc(N[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@H]2C)c1C#N ZINC001043326284 680574409 /nfs/dbraw/zinc/57/44/09/680574409.db2.gz CZNUAFMQBQDYNJ-WQVCFCJDSA-N 0 3 361.515 2.455 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043511860 680585166 /nfs/dbraw/zinc/58/51/66/680585166.db2.gz LGFYIGPXSIMDGK-NQBHXWOUSA-N 0 3 367.906 2.411 20 30 FEEDHN C=C(Cl)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000768081414 680937453 /nfs/dbraw/zinc/93/74/53/680937453.db2.gz XWUMUTPOKBOMMN-UHFFFAOYSA-N 0 3 364.877 2.024 20 30 FEEDHN C=CCCCN(CC)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000934648430 681605947 /nfs/dbraw/zinc/60/59/47/681605947.db2.gz OYQTVXQWVKUDQN-UHFFFAOYSA-N 0 3 353.488 2.130 20 30 FEEDHN CN(C)CC#CCNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000913523277 685479219 /nfs/dbraw/zinc/47/92/19/685479219.db2.gz SQXNESKQJJSQME-UHFFFAOYSA-N 0 3 367.140 2.300 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](OC)[C@H]2CCOC2)cc1Cl ZINC000850760898 681957559 /nfs/dbraw/zinc/95/75/59/681957559.db2.gz FMHXICVDVIBBJX-IETSOEAISA-N 0 3 366.801 2.047 20 30 FEEDHN COC(=O)C12CC(C1)CN2CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852442393 682279471 /nfs/dbraw/zinc/27/94/71/682279471.db2.gz CJXNNAMEWKSVOZ-LASWEOPPSA-N 0 3 355.419 2.110 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccccc2SCC#N)CC1 ZINC000918698264 685541116 /nfs/dbraw/zinc/54/11/16/685541116.db2.gz CJQTUXYPXJCREN-INIZCTEOSA-N 0 3 360.527 2.306 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000853097040 682375599 /nfs/dbraw/zinc/37/55/99/682375599.db2.gz UECCJFXZLIEAPV-MGPQQGTHSA-N 0 3 351.447 2.305 20 30 FEEDHN CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCN(C)C1 ZINC000855360508 682661465 /nfs/dbraw/zinc/66/14/65/682661465.db2.gz GMVAFXFOPCDWAI-GJZGRUSLSA-N 0 3 352.479 2.126 20 30 FEEDHN CS(=O)(=O)c1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)ccc1F ZINC000793126170 682865667 /nfs/dbraw/zinc/86/56/67/682865667.db2.gz SBSDXMUIOAFQKK-ZDUSSCGKSA-N 0 3 360.366 2.190 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(Br)c(F)c1F ZINC000858493403 682972876 /nfs/dbraw/zinc/97/28/76/682972876.db2.gz TUAAHQJGCUUTJV-UHFFFAOYSA-N 0 3 374.229 2.482 20 30 FEEDHN C#CCN(C(=O)NCC[C@@H]1CC[C@H](C(F)(F)F)O1)C1CCN(C)CC1 ZINC000926295086 683105216 /nfs/dbraw/zinc/10/52/16/683105216.db2.gz YRJUHSCYWUXBMH-LSDHHAIUSA-N 0 3 361.408 2.225 20 30 FEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)o1 ZINC000862537547 683598439 /nfs/dbraw/zinc/59/84/39/683598439.db2.gz CLHCQJCRVCLVME-HJPIBITLSA-N 0 3 353.344 2.382 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2cccc3c2OC(F)(F)O3)CC1 ZINC000862648637 683615080 /nfs/dbraw/zinc/61/50/80/683615080.db2.gz ZNUVSZYDIONVSA-UHFFFAOYSA-N 0 3 350.365 2.012 20 30 FEEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCN2C2CCOCC2)cc1Cl ZINC000922372862 683709294 /nfs/dbraw/zinc/70/92/94/683709294.db2.gz ACJHHAXTPQDFFF-INIZCTEOSA-N 0 3 362.861 2.264 20 30 FEEDHN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000865007108 683922189 /nfs/dbraw/zinc/92/21/89/683922189.db2.gz NACYAZOKESTFCR-JSGCOSHPSA-N 0 3 357.882 2.375 20 30 FEEDHN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000868716298 684532245 /nfs/dbraw/zinc/53/22/45/684532245.db2.gz CEMGYRHRPDABOL-RDBSUJKOSA-N 0 3 357.882 2.185 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CC)CC ZINC000876557259 686219552 /nfs/dbraw/zinc/21/95/52/686219552.db2.gz DCIUSCHQJAKQML-JKSUJKDBSA-N 0 3 351.878 2.052 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000876620007 686229713 /nfs/dbraw/zinc/22/97/13/686229713.db2.gz IREQZIQEKNCJTQ-BBRMVZONSA-N 0 3 351.878 2.484 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000876624665 686230956 /nfs/dbraw/zinc/23/09/56/686230956.db2.gz OVDXRGVRBZQSQT-QGZVFWFLSA-N 0 3 363.889 2.150 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000876712373 686250664 /nfs/dbraw/zinc/25/06/64/686250664.db2.gz PUENQXVTKWEUGD-INIZCTEOSA-N 0 3 351.878 2.118 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000876777467 686266575 /nfs/dbraw/zinc/26/65/75/686266575.db2.gz NFTZYPIGHBPOCB-GUYCJALGSA-N 0 3 367.877 2.116 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000876906112 686292327 /nfs/dbraw/zinc/29/23/27/686292327.db2.gz QRNXXEBHOHGBCF-ZDUSSCGKSA-N 0 3 352.797 2.394 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000877205246 686339835 /nfs/dbraw/zinc/33/98/35/686339835.db2.gz CRKSHEKOOOSNDL-CJNGLKHVSA-N 0 3 359.253 2.400 20 30 FEEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000882769299 687480716 /nfs/dbraw/zinc/48/07/16/687480716.db2.gz PVOKCVZJYZMHLS-UHFFFAOYSA-N 0 3 353.875 2.461 20 30 FEEDHN Cc1c(Cl)cnc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C#N ZINC000882815673 687501184 /nfs/dbraw/zinc/50/11/84/687501184.db2.gz NLVHBKAAAQMYJD-UHFFFAOYSA-N 0 3 361.877 2.225 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1csc(Br)c1)C2 ZINC000884091427 687787625 /nfs/dbraw/zinc/78/76/25/687787625.db2.gz XLUKHHWONDQVJC-IQLKVPPVSA-N 0 3 354.273 2.266 20 30 FEEDHN CN(Cc1nc(C(F)(F)F)cs1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884164650 687805162 /nfs/dbraw/zinc/80/51/62/687805162.db2.gz MTDJPTPVJKCMCY-OPASDULOSA-N 0 3 358.389 2.260 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1cc(F)ccc1OC(F)F)C2 ZINC000884416685 687867422 /nfs/dbraw/zinc/86/74/22/687867422.db2.gz JWJNEFIBJXXVFX-VMBJYNEYSA-N 0 3 353.344 2.183 20 30 FEEDHN C#CCN(C(=O)c1cnc(Br)c(C)c1)C1CCN(C)CC1 ZINC000886571350 688277628 /nfs/dbraw/zinc/27/76/28/688277628.db2.gz SEFSLCQHODLQJR-UHFFFAOYSA-N 0 3 350.260 2.322 20 30 FEEDHN C#CCN(C(=O)c1ccc(-n2cc[nH]c2=S)cc1)C1CCN(C)CC1 ZINC000886583154 688279743 /nfs/dbraw/zinc/27/97/43/688279743.db2.gz DJSZNDZWKANWGQ-UHFFFAOYSA-N 0 3 354.479 2.331 20 30 FEEDHN C[C@]1(Br)C[C@H]1CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000894005542 689447668 /nfs/dbraw/zinc/44/76/68/689447668.db2.gz KSUOIQOIIVRERK-ZOBUZTSGSA-N 0 3 362.271 2.422 20 30 FEEDHN C#CCOc1ccc(CN2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1 ZINC000898398148 690174950 /nfs/dbraw/zinc/17/49/50/690174950.db2.gz CMECCCYYNSKXMP-RUZDIDTESA-N 0 3 363.527 2.485 20 30 FEEDHN C=C(Cl)C[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184385 690481087 /nfs/dbraw/zinc/48/10/87/690481087.db2.gz BIMSEXDAZSLIST-JKSUJKDBSA-N 0 3 364.877 2.418 20 30 FEEDHN Cc1nc(NC(=O)c2ccnn2CCN(C)C)sc1SCC#N ZINC000900479945 690522080 /nfs/dbraw/zinc/52/20/80/690522080.db2.gz GQRCOVNKNLGPSS-UHFFFAOYSA-N 0 3 350.473 2.078 20 30 FEEDHN C=CCNc1ncc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000900979933 690595946 /nfs/dbraw/zinc/59/59/46/690595946.db2.gz FWPXJRAIRPEHOM-KBPBESRZSA-N 0 3 352.504 2.360 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCNC(=O)C1CC1 ZINC000901423664 690645709 /nfs/dbraw/zinc/64/57/09/690645709.db2.gz BWHZEYDOGIUEFF-UHFFFAOYSA-N 0 3 363.531 2.111 20 30 FEEDHN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001164390806 718821085 /nfs/dbraw/zinc/82/10/85/718821085.db2.gz RGWPPWKFWWBZQR-QWRGUYRKSA-N 0 3 363.195 2.372 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5c(C#N)c[nH]c5n4)C[C@H]3C2)cn1 ZINC001164773299 721147911 /nfs/dbraw/zinc/14/79/11/721147911.db2.gz YBPNVZWBYRZPEN-NVXWUHKLSA-N 0 3 361.453 2.126 20 30 FEEDHN Cc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1C#N ZINC001164912379 721548516 /nfs/dbraw/zinc/54/85/16/721548516.db2.gz ZJXHWTNLUGLBPD-NVXWUHKLSA-N 0 3 353.401 2.138 20 30 FEEDHN Cc1ccc(C#N)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982313 722105929 /nfs/dbraw/zinc/10/59/29/722105929.db2.gz NKMIKTUPVATYIY-VQTJNVASSA-N 0 3 363.465 2.384 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(OCC(N)=O)cc1)C(C)C ZINC000045697798 540222296 /nfs/dbraw/zinc/22/22/96/540222296.db2.gz WMVPHSOPTPIMQT-GOSISDBHSA-N 0 3 374.485 2.371 20 30 FEEDHN N#Cc1ccc(NC(=O)CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1Cl ZINC000550502332 674099031 /nfs/dbraw/zinc/09/90/31/674099031.db2.gz HCJFQPDEHOAANR-ZWKOTPCHSA-N 0 3 363.845 2.060 20 30 FEEDHN Cc1noc(CCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000047011569 540284570 /nfs/dbraw/zinc/28/45/70/540284570.db2.gz SLGFGLPYBZEHAZ-UHFFFAOYSA-N 0 3 355.442 2.163 20 30 FEEDHN C[C@@H]1CN(C(=O)C2CCN(CCOc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000051765461 540443718 /nfs/dbraw/zinc/44/37/18/540443718.db2.gz NEKBQSISXMCBKN-IAGOWNOFSA-N 0 3 371.481 2.285 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000052842963 540492519 /nfs/dbraw/zinc/49/25/19/540492519.db2.gz GYXUHYVLEMWSGU-AWEZNQCLSA-N 0 3 358.486 2.177 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000052842963 540492520 /nfs/dbraw/zinc/49/25/20/540492520.db2.gz GYXUHYVLEMWSGU-AWEZNQCLSA-N 0 3 358.486 2.177 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076299100 542257326 /nfs/dbraw/zinc/25/73/26/542257326.db2.gz LWPHIQCFWIPVBH-CYBMUJFWSA-N 0 3 368.359 2.116 20 30 FEEDHN N#Cc1cccnc1N1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000057104991 540768525 /nfs/dbraw/zinc/76/85/25/540768525.db2.gz PHUJSWBGZQGDAO-UHFFFAOYSA-N 0 3 352.394 2.100 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000064633065 541213263 /nfs/dbraw/zinc/21/32/63/541213263.db2.gz DSAJIEBTHWOZKV-UHFFFAOYSA-N 0 3 374.448 2.366 20 30 FEEDHN CCN1CCC(NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000541907726 541296136 /nfs/dbraw/zinc/29/61/36/541296136.db2.gz FGEKLKKWKFYJIS-UHFFFAOYSA-N 0 3 356.405 2.489 20 30 FEEDHN CC(=O)NC[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000067414819 541459734 /nfs/dbraw/zinc/45/97/34/541459734.db2.gz GFXDVJFFPBCVFH-CQSZACIVSA-N 0 3 374.510 2.285 20 30 FEEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068501204 541600443 /nfs/dbraw/zinc/60/04/43/541600443.db2.gz BKKMRZROLAANMP-INIZCTEOSA-N 0 3 370.497 2.143 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000069500699 541691473 /nfs/dbraw/zinc/69/14/73/541691473.db2.gz FAKDNDXNOUSMDV-PKOBYXMFSA-N 0 3 359.470 2.189 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2)cc1 ZINC000069553670 541696633 /nfs/dbraw/zinc/69/66/33/541696633.db2.gz HEUKEFHEVKIULT-KRWDZBQOSA-N 0 3 354.454 2.410 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000074132528 542040667 /nfs/dbraw/zinc/04/06/67/542040667.db2.gz QNIPMONPAQGJKT-GOSISDBHSA-N 0 3 356.470 2.084 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CCN2CCN(CC)CC2)cc1 ZINC000074350005 542072528 /nfs/dbraw/zinc/07/25/28/542072528.db2.gz VVHFAZDPVUBJCZ-UHFFFAOYSA-N 0 3 358.486 2.360 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)C2(C#N)CCCC2)c1 ZINC000075579288 542189795 /nfs/dbraw/zinc/18/97/95/542189795.db2.gz WXKUNNBDEQAKOW-UHFFFAOYSA-N 0 3 359.470 2.344 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000076343000 542264853 /nfs/dbraw/zinc/26/48/53/542264853.db2.gz ZWIUODDJMVNPLY-UHFFFAOYSA-N 0 3 357.454 2.378 20 30 FEEDHN C=CCCCN(C)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000076735710 542319459 /nfs/dbraw/zinc/31/94/59/542319459.db2.gz MXDBYOLBMRTOBK-UHFFFAOYSA-N 0 3 359.518 2.455 20 30 FEEDHN N#CCCn1cc(CNC[C@@H](O)C2CCOCC2)c(-c2ccccc2)n1 ZINC000076907266 542328467 /nfs/dbraw/zinc/32/84/67/542328467.db2.gz RIOYGODUBNNIDA-LJQANCHMSA-N 0 3 354.454 2.341 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000081998058 542682374 /nfs/dbraw/zinc/68/23/74/542682374.db2.gz NASFGOBUCDHSHR-INIZCTEOSA-N 0 3 359.470 2.331 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC1 ZINC000083651106 542699570 /nfs/dbraw/zinc/69/95/70/542699570.db2.gz MSJDZVYPJPKWJT-IBGZPJMESA-N 0 3 365.518 2.397 20 30 FEEDHN COC(=O)[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000103481571 543111362 /nfs/dbraw/zinc/11/13/62/543111362.db2.gz HDVINMDHCCITQE-LBPRGKRZSA-N 0 3 361.467 2.322 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)CC1 ZINC000106037887 543186063 /nfs/dbraw/zinc/18/60/63/543186063.db2.gz JZMYATKWUCXCCN-UHFFFAOYSA-N 0 3 372.469 2.374 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000106036923 543186111 /nfs/dbraw/zinc/18/61/11/543186111.db2.gz VSEJXMQJNSOVHS-UHFFFAOYSA-N 0 3 359.470 2.289 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)CC1 ZINC000106036817 543186306 /nfs/dbraw/zinc/18/63/06/543186306.db2.gz IUVGIXXHCLAMJF-SFHVURJKSA-N 0 3 358.486 2.251 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000106322165 543223152 /nfs/dbraw/zinc/22/31/52/543223152.db2.gz RSSYJCDVTCIOBI-UHFFFAOYSA-N 0 3 360.458 2.103 20 30 FEEDHN CC1CCN([C@H](CNC(=O)N2CCO[C@H](C#N)C2)c2cccs2)CC1 ZINC000106328502 543223317 /nfs/dbraw/zinc/22/33/17/543223317.db2.gz SDCDMJRSLCLGNC-HZPDHXFCSA-N 0 3 362.499 2.455 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(NC(C)=O)ccc2C)CC1 ZINC000106349245 543224820 /nfs/dbraw/zinc/22/48/20/543224820.db2.gz FDQBCUYXSQSJOE-UHFFFAOYSA-N 0 3 372.469 2.049 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCCN3CC)cc2C1=O ZINC000110998303 543378488 /nfs/dbraw/zinc/37/84/88/543378488.db2.gz YGZYNVMWKQWQPW-HNNXBMFYSA-N 0 3 355.438 2.073 20 30 FEEDHN N#Cc1ccc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)nc1 ZINC000112255908 543436344 /nfs/dbraw/zinc/43/63/44/543436344.db2.gz PVRKIEAFHCCNDS-UHFFFAOYSA-N 0 3 363.421 2.031 20 30 FEEDHN CN(CCN1CCCC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000112750134 543462999 /nfs/dbraw/zinc/46/29/99/543462999.db2.gz ZMXXCWUOOIRZFI-KRWDZBQOSA-N 0 3 373.476 2.403 20 30 FEEDHN CCN1CCN(CCCCNC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000114378856 543512116 /nfs/dbraw/zinc/51/21/16/543512116.db2.gz SKEKLEUPVLYDAM-JXMROGBWSA-N 0 3 370.497 2.136 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)CC1 ZINC000114960519 543547863 /nfs/dbraw/zinc/54/78/63/543547863.db2.gz JSHSJPSQDDXONS-IBGZPJMESA-N 0 3 370.497 2.300 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(OCC(C)C)nc2)CC1 ZINC000117065155 543622693 /nfs/dbraw/zinc/62/26/93/543622693.db2.gz PMHNSHGJBKRUGM-UHFFFAOYSA-N 0 3 374.485 2.212 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCN(c3cccc(OC)c3)C2)CC1 ZINC000117180213 543624643 /nfs/dbraw/zinc/62/46/43/543624643.db2.gz JHTDMLIDFRNJSN-SFHVURJKSA-N 0 3 355.482 2.125 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-n2cccn2)ccn1 ZINC000121131622 543689472 /nfs/dbraw/zinc/68/94/72/543689472.db2.gz QXHZLMKGPAECMO-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000123993587 543795420 /nfs/dbraw/zinc/79/54/20/543795420.db2.gz DRQUQCVOHQTGQF-HXUWFJFHSA-N 0 3 354.498 2.467 20 30 FEEDHN CN(C)CCOc1ccc(NC(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000125328391 543875156 /nfs/dbraw/zinc/87/51/56/543875156.db2.gz LRXFIAFFIGQKPD-UHFFFAOYSA-N 0 3 352.394 2.076 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1 ZINC000125647776 543893949 /nfs/dbraw/zinc/89/39/49/543893949.db2.gz FYEBJMIGXKTTNU-IAQYHMDHSA-N 0 3 357.426 2.187 20 30 FEEDHN Cc1cnc(COCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000802795798 674198637 /nfs/dbraw/zinc/19/86/37/674198637.db2.gz AHPSAQYGFXXZMN-AWEZNQCLSA-N 0 3 361.785 2.178 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)c2c(F)cc(C#N)cc2F)C[C@@H](C)O1 ZINC000132284366 544225750 /nfs/dbraw/zinc/22/57/50/544225750.db2.gz AHJUHEDMWRIADF-CHWSQXEVSA-N 0 3 351.397 2.456 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136057165 544365414 /nfs/dbraw/zinc/36/54/14/544365414.db2.gz KHNQISBEWZDOAX-MGPQQGTHSA-N 0 3 360.433 2.118 20 30 FEEDHN C=CCCC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000152826764 544699878 /nfs/dbraw/zinc/69/98/78/544699878.db2.gz VJBSHGKBDOMKEJ-UHFFFAOYSA-N 0 3 357.498 2.439 20 30 FEEDHN CN(C)CCN(CC1CCCCC1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000154052428 544858398 /nfs/dbraw/zinc/85/83/98/544858398.db2.gz HMDOOAIANPUKLH-UHFFFAOYSA-N 0 3 370.497 2.259 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000154112074 544866201 /nfs/dbraw/zinc/86/62/01/544866201.db2.gz OAFPVMLMAIMXHM-QGZVFWFLSA-N 0 3 372.513 2.423 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000154112074 544866203 /nfs/dbraw/zinc/86/62/03/544866203.db2.gz OAFPVMLMAIMXHM-QGZVFWFLSA-N 0 3 372.513 2.423 20 30 FEEDHN N#Cc1c(Br)cccc1S(=O)(=O)NCCCN1CCCC1 ZINC000553439305 674261963 /nfs/dbraw/zinc/26/19/63/674261963.db2.gz VZSQHJJKOBMSCR-UHFFFAOYSA-N 0 3 372.288 2.085 20 30 FEEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000553661343 674277922 /nfs/dbraw/zinc/27/79/22/674277922.db2.gz UNWQDZXEHNBDKP-WMZOPIPTSA-N 0 3 364.467 2.043 20 30 FEEDHN CNC(=O)[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000183640802 327828092 /nfs/dbraw/zinc/82/80/92/327828092.db2.gz CLUKSXMPTGZEHR-INIZCTEOSA-N 0 3 362.499 2.187 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)ccc1Cl ZINC000190014158 328182513 /nfs/dbraw/zinc/18/25/13/328182513.db2.gz MREWTDPJFWPSMN-HNNXBMFYSA-N 0 3 360.845 2.237 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000191246272 328256215 /nfs/dbraw/zinc/25/62/15/328256215.db2.gz VCJCVUDRHAOMHB-UGSOOPFHSA-N 0 3 368.412 2.443 20 30 FEEDHN N#Cc1ccc(Br)c(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000191805440 328283042 /nfs/dbraw/zinc/28/30/42/328283042.db2.gz WYQGWQIKAUKVIQ-HNNXBMFYSA-N 0 3 364.287 2.475 20 30 FEEDHN CN(C)CCn1c2cc(NC(=O)c3cc(C#N)cs3)ccc2oc1=O ZINC000084088897 325227974 /nfs/dbraw/zinc/22/79/74/325227974.db2.gz QSRRQGVCVWSZCH-UHFFFAOYSA-N 0 3 356.407 2.342 20 30 FEEDHN Cc1n[nH]c(C)c1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000097682298 325462935 /nfs/dbraw/zinc/46/29/35/325462935.db2.gz XAPMKSWONIVWPQ-UHFFFAOYSA-N 0 3 353.470 2.421 20 30 FEEDHN CC(=O)N(C)C1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000112544700 325789148 /nfs/dbraw/zinc/78/91/48/325789148.db2.gz JKYAQGBQKVCIHU-UHFFFAOYSA-N 0 3 374.510 2.380 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000119563587 326176144 /nfs/dbraw/zinc/17/61/44/326176144.db2.gz MEUATXMCMLTGOY-UHFFFAOYSA-N 0 3 364.449 2.088 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119809827 326201119 /nfs/dbraw/zinc/20/11/19/326201119.db2.gz CKXUCVHNHMWWOU-ZBFHGGJFSA-N 0 3 372.494 2.424 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000120466985 326260747 /nfs/dbraw/zinc/26/07/47/326260747.db2.gz CJNVIBSBVHAUNR-GOEBONIOSA-N 0 3 372.469 2.225 20 30 FEEDHN N#Cc1cccc(CS(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000121639875 326354184 /nfs/dbraw/zinc/35/41/84/326354184.db2.gz AINWWYAXWFPUDS-MJGOQNOKSA-N 0 3 359.495 2.337 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn2c1CCCC2 ZINC000126837400 326495983 /nfs/dbraw/zinc/49/59/83/326495983.db2.gz AZXLCURAYIKSLY-UHFFFAOYSA-N 0 3 351.454 2.295 20 30 FEEDHN N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(C4CCCCC4)CC3)C2=O)cc1 ZINC000130447346 326557051 /nfs/dbraw/zinc/55/70/51/326557051.db2.gz CHXALFUPJRVGAR-LJQANCHMSA-N 0 3 366.465 2.140 20 30 FEEDHN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000153893433 326745776 /nfs/dbraw/zinc/74/57/76/326745776.db2.gz CDGHPRFFXNAVMP-APWZRJJASA-N 0 3 373.497 2.171 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNc1cccc(C#N)c1 ZINC000155541819 326792720 /nfs/dbraw/zinc/79/27/20/326792720.db2.gz NIJLYYUXLAMTOL-UHFFFAOYSA-N 0 3 361.449 2.432 20 30 FEEDHN CN(C)CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)C1CCCC1 ZINC000162861661 327036674 /nfs/dbraw/zinc/03/66/74/327036674.db2.gz KEIIAJWHMGMFJO-UHFFFAOYSA-N 0 3 362.861 2.483 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C(CC)CC)N(C)C ZINC000172305463 327194649 /nfs/dbraw/zinc/19/46/49/327194649.db2.gz KWNRGXCSFDTMQB-QGZVFWFLSA-N 0 3 374.485 2.378 20 30 FEEDHN CC(C)N1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc(F)c(C#N)c1)C2 ZINC000173845595 327288507 /nfs/dbraw/zinc/28/85/07/327288507.db2.gz FYUWSWBLKUDNPA-LSDHHAIUSA-N 0 3 351.447 2.333 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)N(C)C ZINC000178417094 327583540 /nfs/dbraw/zinc/58/35/40/327583540.db2.gz GYXKGTOAVZPQQY-SFHVURJKSA-N 0 3 356.470 2.432 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000247186059 328673162 /nfs/dbraw/zinc/67/31/62/328673162.db2.gz ZFMNROJQYFXJIR-GUDVDZBRSA-N 0 3 370.497 2.445 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000267289190 329310953 /nfs/dbraw/zinc/31/09/53/329310953.db2.gz QWOBMMPFGCJPNF-KXBFYZLASA-N 0 3 370.478 2.142 20 30 FEEDHN CC(C)C(=O)NCCN(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157645368 545764501 /nfs/dbraw/zinc/76/45/01/545764501.db2.gz OORNUVKMRIWNPW-UHFFFAOYSA-N 0 3 350.850 2.244 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000159231940 545934572 /nfs/dbraw/zinc/93/45/72/545934572.db2.gz LVCCANHAJXXCKY-MAUKXSAKSA-N 0 3 361.511 2.424 20 30 FEEDHN CC1CCN(C[C@@H](O)CNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160676151 546062660 /nfs/dbraw/zinc/06/26/60/546062660.db2.gz HZTUFZJQPYFIEI-OALUTQOASA-N 0 3 358.486 2.423 20 30 FEEDHN CC(C)[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)OCCO2 ZINC000161473537 546131482 /nfs/dbraw/zinc/13/14/82/546131482.db2.gz ZPIJLTSZELKGHN-HXUWFJFHSA-N 0 3 370.453 2.400 20 30 FEEDHN N#CCCN(C(=O)CCC(=O)N1CCCN(C2CC2)CC1)c1ccccc1 ZINC000171283562 546201158 /nfs/dbraw/zinc/20/11/58/546201158.db2.gz WPDVLUQSISTBKW-UHFFFAOYSA-N 0 3 368.481 2.410 20 30 FEEDHN C=CCN1CCC(NC(=O)CSCC(=O)Nc2cccc(C)c2)CC1 ZINC000171566186 546214810 /nfs/dbraw/zinc/21/48/10/546214810.db2.gz PSPXERIVGASKIT-UHFFFAOYSA-N 0 3 361.511 2.433 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000171715384 546220275 /nfs/dbraw/zinc/22/02/75/546220275.db2.gz BWMGZDLTOHFQKL-QGZVFWFLSA-N 0 3 356.514 2.383 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)CC1 ZINC000171710802 546220620 /nfs/dbraw/zinc/22/06/20/546220620.db2.gz OGYYYUVVBSNLBS-UHFFFAOYSA-N 0 3 368.485 2.334 20 30 FEEDHN C=CCN1CCC(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000171723367 546222058 /nfs/dbraw/zinc/22/20/58/546222058.db2.gz RBSPKYDBPDIGQS-UHFFFAOYSA-N 0 3 363.845 2.405 20 30 FEEDHN C=CCN1CCC(NC(=O)CCn2c3ccccc3n(CCC)c2=O)CC1 ZINC000171722403 546222240 /nfs/dbraw/zinc/22/22/40/546222240.db2.gz BYPSPLYGYHQIDT-UHFFFAOYSA-N 0 3 370.497 2.370 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1 ZINC000171729151 546222250 /nfs/dbraw/zinc/22/22/50/546222250.db2.gz QBICOSBWRRYKCN-IBGZPJMESA-N 0 3 355.482 2.448 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000173274398 546277242 /nfs/dbraw/zinc/27/72/42/546277242.db2.gz QJUKIKYZSNUYIE-UHFFFAOYSA-N 0 3 355.360 2.411 20 30 FEEDHN N#CCCCOc1cccc(CNCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000479609962 561193432 /nfs/dbraw/zinc/19/34/32/561193432.db2.gz HWMRQMQVOVWLBV-UHFFFAOYSA-N 0 3 370.453 2.323 20 30 FEEDHN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000174044992 546290184 /nfs/dbraw/zinc/29/01/84/546290184.db2.gz GNACSSNORDVIMV-RHSMWYFYSA-N 0 3 353.426 2.087 20 30 FEEDHN C=C(C)Cn1c(SCC(=O)NC[C@@H](C)N(C)C)nnc1-c1ccco1 ZINC000480312107 561207001 /nfs/dbraw/zinc/20/70/01/561207001.db2.gz CCFKKCIFUFFWAP-CYBMUJFWSA-N 0 3 363.487 2.273 20 30 FEEDHN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480695017 561214712 /nfs/dbraw/zinc/21/47/12/561214712.db2.gz IQTANEQSSIIOLP-KBPBESRZSA-N 0 3 353.463 2.237 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000179344584 546935637 /nfs/dbraw/zinc/93/56/37/546935637.db2.gz FNSOPFCGFQHMGA-PKOBYXMFSA-N 0 3 359.445 2.112 20 30 FEEDHN Cn1cc(CN2CCC[C@@H]2CN2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179950795 547032012 /nfs/dbraw/zinc/03/20/12/547032012.db2.gz DUGDYAITBCEXOU-HXUWFJFHSA-N 0 3 365.481 2.255 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1 ZINC000180198082 547066840 /nfs/dbraw/zinc/06/68/40/547066840.db2.gz ZBLXRPXPXWIFMV-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN C=CCC[C@@H](NCC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000180439833 547108360 /nfs/dbraw/zinc/10/83/60/547108360.db2.gz NBIIAZMTMUAGBV-LJQANCHMSA-N 0 3 365.481 2.422 20 30 FEEDHN C[C@H](NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000482842246 561261168 /nfs/dbraw/zinc/26/11/68/561261168.db2.gz PQVXHPNNLMGEJA-ZWOKBUDYSA-N 0 3 369.513 2.287 20 30 FEEDHN CCc1ccccc1NC(=O)C[C@@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000180868943 547198908 /nfs/dbraw/zinc/19/89/08/547198908.db2.gz HSZBMNVFYPATQB-BVGIJJTOSA-N 0 3 370.453 2.082 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC[C@H]2CCCO2)cc1 ZINC000483623623 561280817 /nfs/dbraw/zinc/28/08/17/561280817.db2.gz PPCBOZOMDCOUBP-DZGCQCFKSA-N 0 3 365.455 2.405 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C[C@H]2CCCO2)cc1 ZINC000483625445 561280863 /nfs/dbraw/zinc/28/08/63/561280863.db2.gz UHXGNXLZNANCDQ-VNHYZAJKSA-N 0 3 365.455 2.451 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnc([C@@H](C)CC)nc2)CC1 ZINC000483876283 561285445 /nfs/dbraw/zinc/28/54/45/561285445.db2.gz ACMOBYDCYYPOIR-AWEZNQCLSA-N 0 3 359.474 2.085 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)CC1 ZINC000182797871 547554250 /nfs/dbraw/zinc/55/42/50/547554250.db2.gz KUIDMFPFCNWKQN-UHFFFAOYSA-N 0 3 363.845 2.248 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H](Cn4ccnn4)C3)C2=O)cc1 ZINC000182925337 547573282 /nfs/dbraw/zinc/57/32/82/547573282.db2.gz XIRKPYFFIJUZCK-PKOBYXMFSA-N 0 3 364.453 2.057 20 30 FEEDHN C=CCSc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000485459504 561319580 /nfs/dbraw/zinc/31/95/80/561319580.db2.gz BDZJACICAQDTJH-QGZVFWFLSA-N 0 3 373.522 2.343 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCN(CC(C)C)C1 ZINC000185866739 548048302 /nfs/dbraw/zinc/04/83/02/548048302.db2.gz RWESYLNFFBOOJW-MRXNPFEDSA-N 0 3 365.499 2.213 20 30 FEEDHN C=C(C)[C@@H](NCCc1cn(CC(=O)OC)nn1)c1ccc(F)c(F)c1 ZINC000187773619 548264106 /nfs/dbraw/zinc/26/41/06/548264106.db2.gz NUSVMHZVKSJKCY-QGZVFWFLSA-N 0 3 350.369 2.179 20 30 FEEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccn(CCC#N)n2)c1 ZINC000192269554 548361552 /nfs/dbraw/zinc/36/15/52/548361552.db2.gz HOSIGRYKFNDEJO-UHFFFAOYSA-N 0 3 370.457 2.401 20 30 FEEDHN C[C@H]1CCNC(=O)[C@@H]1NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193630431 548391775 /nfs/dbraw/zinc/39/17/75/548391775.db2.gz DRTNHWPZSMSBCX-YVEFUNNKSA-N 0 3 374.510 2.331 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000245782125 548993666 /nfs/dbraw/zinc/99/36/66/548993666.db2.gz HSCWXMLREMIGKS-FXAWDEMLSA-N 0 3 373.522 2.281 20 30 FEEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000245898983 549015003 /nfs/dbraw/zinc/01/50/03/549015003.db2.gz RSQZOVKKHQJYEY-CMKODMSKSA-N 0 3 370.472 2.266 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CC[C@H]21 ZINC000246218084 549081236 /nfs/dbraw/zinc/08/12/36/549081236.db2.gz UFUMQZOVZUFPNR-SWLSCSKDSA-N 0 3 353.875 2.316 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC000246461325 549138920 /nfs/dbraw/zinc/13/89/20/549138920.db2.gz FYEBJMIGXKTTNU-NHYWBVRUSA-N 0 3 357.426 2.187 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)CN3CCC[C@@H](C)C3)CC2)o1 ZINC000248959558 549532391 /nfs/dbraw/zinc/53/23/91/549532391.db2.gz PHMBWMQRTNROTR-HUUCEWRRSA-N 0 3 373.501 2.308 20 30 FEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000249169087 549564484 /nfs/dbraw/zinc/56/44/84/549564484.db2.gz KTRXHHYOBXTAGY-GOEBONIOSA-N 0 3 374.510 2.429 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC[C@H]2CCCCN2CC(C)C)cc1C#N ZINC000489664414 561416430 /nfs/dbraw/zinc/41/64/30/561416430.db2.gz GDIFTVMTDPDIND-MRXNPFEDSA-N 0 3 350.488 2.051 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(C)C ZINC000253542554 549692717 /nfs/dbraw/zinc/69/27/17/549692717.db2.gz DVOBNOBRRJDJFK-KRWDZBQOSA-N 0 3 371.485 2.101 20 30 FEEDHN COCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCOC1 ZINC000490057804 561425376 /nfs/dbraw/zinc/42/53/76/561425376.db2.gz UCSGWQAGWKDZMS-HNNXBMFYSA-N 0 3 351.834 2.278 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC000490415572 561432648 /nfs/dbraw/zinc/43/26/48/561432648.db2.gz KGNCRKPHAGZDPA-NRSPTQNISA-N 0 3 374.525 2.197 20 30 FEEDHN CCN1CCN(CCCCNC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000490541660 561434674 /nfs/dbraw/zinc/43/46/74/561434674.db2.gz IFLLMZCFBLXELS-UHFFFAOYSA-N 0 3 360.527 2.184 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2c(OC)cc(OC)cc2OC)CC1 ZINC000264448131 549996060 /nfs/dbraw/zinc/99/60/60/549996060.db2.gz YBOOSYWBZHQVJI-UHFFFAOYSA-N 0 3 363.458 2.162 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@@H](N(C)C)C1 ZINC000264656386 549999453 /nfs/dbraw/zinc/99/94/53/549999453.db2.gz ZPDUNOKCMCEDFJ-DLBZAZTESA-N 0 3 358.486 2.356 20 30 FEEDHN C=CC[C@H](C)NC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000265841647 550014462 /nfs/dbraw/zinc/01/44/62/550014462.db2.gz XELRYOMOMZZBAC-KRWDZBQOSA-N 0 3 360.502 2.423 20 30 FEEDHN C=C(Cl)CNC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000269096934 550154389 /nfs/dbraw/zinc/15/43/89/550154389.db2.gz MRFFGYZMCWTXMY-UHFFFAOYSA-N 0 3 365.861 2.359 20 30 FEEDHN COc1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1OCCCC#N ZINC000269172383 550163470 /nfs/dbraw/zinc/16/34/70/550163470.db2.gz ZPIWSNZHNMYMPJ-UHFFFAOYSA-N 0 3 359.386 2.272 20 30 FEEDHN CN(CCCN1CCN(C)CC1)Cc1ccc(C#N)cc1OC(F)F ZINC000492913948 561453487 /nfs/dbraw/zinc/45/34/87/561453487.db2.gz VPQPSUZDEDGDDM-UHFFFAOYSA-N 0 3 352.429 2.229 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000271465897 550377579 /nfs/dbraw/zinc/37/75/79/550377579.db2.gz KIJAGOCMLZPMKU-CYBMUJFWSA-N 0 3 363.408 2.084 20 30 FEEDHN C[C@@H]1C[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000271604385 550389189 /nfs/dbraw/zinc/38/91/89/550389189.db2.gz UYKLMCVMJKFATH-VQIMIIECSA-N 0 3 358.486 2.447 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OC(C)C)CC1 ZINC000272575547 550458754 /nfs/dbraw/zinc/45/87/54/550458754.db2.gz GDULOVLJGLCGPS-UHFFFAOYSA-N 0 3 363.433 2.318 20 30 FEEDHN C=CCS(=O)(=O)CCNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000272826201 550472253 /nfs/dbraw/zinc/47/22/53/550472253.db2.gz GUUGGJGACAPSCZ-UHFFFAOYSA-N 0 3 356.919 2.495 20 30 FEEDHN N#Cc1ccccc1CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274302812 550531960 /nfs/dbraw/zinc/53/19/60/550531960.db2.gz FXFPRKOVDIYXTF-OAQYLSRUSA-N 0 3 360.417 2.255 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2ncccc2OCCCC#N)C[C@@H]1N(C)C ZINC000276120096 550577058 /nfs/dbraw/zinc/57/70/58/550577058.db2.gz WPHJZUFECQMICK-ZFWWWQNUSA-N 0 3 363.487 2.273 20 30 FEEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N ZINC000276980549 550617831 /nfs/dbraw/zinc/61/78/31/550617831.db2.gz GYGOFTIOQTVHKV-KRWDZBQOSA-N 0 3 370.478 2.096 20 30 FEEDHN C[C@@](O)(CNCc1cn(CCC#N)nc1-c1ccncc1)c1ccco1 ZINC000278564681 550799648 /nfs/dbraw/zinc/79/96/48/550799648.db2.gz CXENDVYEVLUBQO-LJQANCHMSA-N 0 3 351.410 2.449 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCOCC2CC2)cc1 ZINC000278653968 550808535 /nfs/dbraw/zinc/80/85/35/550808535.db2.gz PZNWDQGPUFAPGT-CYBMUJFWSA-N 0 3 365.455 2.263 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000279658205 550913707 /nfs/dbraw/zinc/91/37/07/550913707.db2.gz YHQPEGKVXCYKRN-FQEVSTJZSA-N 0 3 374.444 2.394 20 30 FEEDHN Cc1cc([C@@](C)(O)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)o1 ZINC000280295685 550977836 /nfs/dbraw/zinc/97/78/36/550977836.db2.gz GYIHPPYYRFWAFS-PXNSSMCTSA-N 0 3 351.406 2.474 20 30 FEEDHN COC(=O)[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000280430242 550992949 /nfs/dbraw/zinc/99/29/49/550992949.db2.gz ZXUDOPWYEOILCN-RHSMWYFYSA-N 0 3 353.426 2.100 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCSC3(CCOCC3)C2)cc1 ZINC000280437724 550994103 /nfs/dbraw/zinc/99/41/03/550994103.db2.gz YOHGUQCLSBSCCA-KRWDZBQOSA-N 0 3 355.463 2.365 20 30 FEEDHN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280455270 550996012 /nfs/dbraw/zinc/99/60/12/550996012.db2.gz NXFUOUBCHBEMQD-VQTJNVASSA-N 0 3 374.444 2.056 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000281642856 551124895 /nfs/dbraw/zinc/12/48/95/551124895.db2.gz MJBYACKYZUQYIY-QGZVFWFLSA-N 0 3 370.497 2.331 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000281893506 551154025 /nfs/dbraw/zinc/15/40/25/551154025.db2.gz UPEJTKMDCLSHAJ-IEBWSBKVSA-N 0 3 361.486 2.407 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccccc1OCCN(C)C ZINC000281973184 551164362 /nfs/dbraw/zinc/16/43/62/551164362.db2.gz ZJHXPGCYCHMYHY-PKOBYXMFSA-N 0 3 361.486 2.407 20 30 FEEDHN CS(=O)(=O)C[C@@H](NCCCC1(C#N)CCOCC1)c1ccccc1 ZINC000282134222 551185264 /nfs/dbraw/zinc/18/52/64/551185264.db2.gz ZBVCMBZSRMEWSB-QGZVFWFLSA-N 0 3 350.484 2.462 20 30 FEEDHN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCCC2)CC1 ZINC000282209457 551195772 /nfs/dbraw/zinc/19/57/72/551195772.db2.gz HQUWXVJIUPAHHB-UHFFFAOYSA-N 0 3 369.517 2.390 20 30 FEEDHN C=CCn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000282288230 551207157 /nfs/dbraw/zinc/20/71/57/551207157.db2.gz NOPWIHNDZYAUJT-KRWDZBQOSA-N 0 3 353.470 2.290 20 30 FEEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)N(C)[C@H](C)CC#N)c1ccccc1 ZINC000283124818 551315630 /nfs/dbraw/zinc/31/56/30/551315630.db2.gz ZGENXXJWCZAPJB-HUUCEWRRSA-N 0 3 352.504 2.184 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)CC1 ZINC000283704215 551412821 /nfs/dbraw/zinc/41/28/21/551412821.db2.gz CWFRQLWJBYSMCT-UHFFFAOYSA-N 0 3 373.497 2.247 20 30 FEEDHN CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 ZINC000283992905 551463802 /nfs/dbraw/zinc/46/38/02/551463802.db2.gz DECKJOXSNPWHJV-LEWJYISDSA-N 0 3 365.477 2.157 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000284093373 551482351 /nfs/dbraw/zinc/48/23/51/551482351.db2.gz MKHDZCQLNNTSHL-SFHVURJKSA-N 0 3 369.509 2.379 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccccn1)C(C)C ZINC000284097584 551483175 /nfs/dbraw/zinc/48/31/75/551483175.db2.gz PKHFVBURNUQLDS-PKOBYXMFSA-N 0 3 372.513 2.416 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 ZINC000284107310 551485070 /nfs/dbraw/zinc/48/50/70/551485070.db2.gz MUEGVVVGRIKYRN-UHFFFAOYSA-N 0 3 371.525 2.409 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccccn1)C(C)C ZINC000284786199 551632939 /nfs/dbraw/zinc/63/29/39/551632939.db2.gz KCBZAGSKIISALV-WMZOPIPTSA-N 0 3 358.486 2.074 20 30 FEEDHN CN(CC1CCN(C)CC1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286006424 551837380 /nfs/dbraw/zinc/83/73/80/551837380.db2.gz DUABEZIVSZUHAD-KRWDZBQOSA-N 0 3 358.461 2.324 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2cccc3cccnc32)CC1 ZINC000286047960 551842876 /nfs/dbraw/zinc/84/28/76/551842876.db2.gz WWKJWSDIKPDIED-UHFFFAOYSA-N 0 3 366.465 2.008 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCCCC#N)CCN1Cc1ccccc1 ZINC000286363164 551878854 /nfs/dbraw/zinc/87/88/54/551878854.db2.gz CNGDKHZVZXXILS-IEBWSBKVSA-N 0 3 370.497 2.308 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000286492151 551892103 /nfs/dbraw/zinc/89/21/03/551892103.db2.gz JVNVMSLSZFIJNA-GOSISDBHSA-N 0 3 355.482 2.292 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000286626999 551908166 /nfs/dbraw/zinc/90/81/66/551908166.db2.gz MEKWKAJFEVEKDS-LPHOPBHVSA-N 0 3 355.482 2.363 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H](CC)c2ccncc2)CC1 ZINC000286724886 551919120 /nfs/dbraw/zinc/91/91/20/551919120.db2.gz REROUOMBWFYKIH-SFHVURJKSA-N 0 3 358.486 2.148 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)CC1 ZINC000286754243 551922360 /nfs/dbraw/zinc/92/23/60/551922360.db2.gz SVPYGRURMCVSCQ-ROUUACIJSA-N 0 3 369.509 2.466 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCOCC2)cc1 ZINC000287333304 551990894 /nfs/dbraw/zinc/99/08/94/551990894.db2.gz OXJXDVISPJQYKS-STQMWFEESA-N 0 3 351.428 2.063 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287376980 551996323 /nfs/dbraw/zinc/99/63/23/551996323.db2.gz XNBZVXDVQXQTDJ-QAPCUYQASA-N 0 3 356.470 2.294 20 30 FEEDHN Cc1onc(CC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1C#N ZINC000499746331 561557526 /nfs/dbraw/zinc/55/75/26/561557526.db2.gz ANXJGAQZUHGIRS-UHFFFAOYSA-N 0 3 362.380 2.266 20 30 FEEDHN Cc1onc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000499846596 561559679 /nfs/dbraw/zinc/55/96/79/561559679.db2.gz JZRJZOHXBOGZPA-KSSFIOAISA-N 0 3 352.438 2.424 20 30 FEEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000500454233 561573522 /nfs/dbraw/zinc/57/35/22/561573522.db2.gz CSHQOOUQPUJNLV-UHFFFAOYSA-N 0 3 370.497 2.143 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290323816 552460141 /nfs/dbraw/zinc/46/01/41/552460141.db2.gz VXPBJZFHNUWCED-MCIONIFRSA-N 0 3 360.433 2.118 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1F ZINC000290882773 552555036 /nfs/dbraw/zinc/55/50/36/552555036.db2.gz UGFUBTSTVVZMSG-UHFFFAOYSA-N 0 3 358.417 2.113 20 30 FEEDHN CC(C)OCc1nc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)no1 ZINC000291189065 552598089 /nfs/dbraw/zinc/59/80/89/552598089.db2.gz ISCLUZGWSNHVAR-CZUORRHYSA-N 0 3 367.409 2.426 20 30 FEEDHN COc1cc(O)c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OC ZINC000291823179 552665406 /nfs/dbraw/zinc/66/54/06/552665406.db2.gz FEOLWYYWKMNJJP-HNNXBMFYSA-N 0 3 355.394 2.329 20 30 FEEDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000292052308 552688694 /nfs/dbraw/zinc/68/86/94/552688694.db2.gz NSIAGKOOMJIKHR-HNNXBMFYSA-N 0 3 373.400 2.293 20 30 FEEDHN O=C(NCCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1)C1N=CC=CC1=O ZINC000292224020 552706298 /nfs/dbraw/zinc/70/62/98/552706298.db2.gz QRYUZXXWRLNSTP-UCPXIFCCSA-N 0 3 373.428 2.409 20 30 FEEDHN CC(C)N(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(N)=O ZINC000292717221 552752220 /nfs/dbraw/zinc/75/22/20/552752220.db2.gz RUMOWFKZYZWKCQ-GFCCVEGCSA-N 0 3 362.499 2.269 20 30 FEEDHN CC(=O)Nc1ccc(OC[C@@H](O)CN(CCOCCC#N)C(C)C)cc1 ZINC000293155746 552794157 /nfs/dbraw/zinc/79/41/57/552794157.db2.gz RDTIADJRCQDBDR-SFHVURJKSA-N 0 3 363.458 2.025 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccnc1-c1csc(C)c1 ZINC000293491311 552829043 /nfs/dbraw/zinc/82/90/43/552829043.db2.gz WLMUUESYSYBPMO-UHFFFAOYSA-N 0 3 370.478 2.128 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000501638568 561602594 /nfs/dbraw/zinc/60/25/94/561602594.db2.gz KRGZBVUYPBBLMT-SFHVURJKSA-N 0 3 373.497 2.217 20 30 FEEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295121669 552961204 /nfs/dbraw/zinc/96/12/04/552961204.db2.gz NHRPYDBTFFNUGQ-PMACEKPBSA-N 0 3 365.481 2.369 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1N(C)C ZINC000295131615 552961924 /nfs/dbraw/zinc/96/19/24/552961924.db2.gz YDRZEVYVKISUQP-ZIAGYGMSSA-N 0 3 368.300 2.438 20 30 FEEDHN CC1(C)OCC[C@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000295133676 552961998 /nfs/dbraw/zinc/96/19/98/552961998.db2.gz BEFCLOLHIAYVTK-OAHLLOKOSA-N 0 3 354.372 2.330 20 30 FEEDHN CCO[C@H]1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C12CCCC2 ZINC000295158801 552964702 /nfs/dbraw/zinc/96/47/02/552964702.db2.gz GJGUQQNRVNXESX-HOTGVXAUSA-N 0 3 363.483 2.054 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295546027 553024173 /nfs/dbraw/zinc/02/41/73/553024173.db2.gz JYRFLLOJHFRYDF-DLBZAZTESA-N 0 3 365.433 2.227 20 30 FEEDHN CN1CCN(Cc2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])cc2)CC1 ZINC000296485436 553167665 /nfs/dbraw/zinc/16/76/65/553167665.db2.gz KRHHMHHOMGOMDK-UHFFFAOYSA-N 0 3 366.425 2.221 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000297256310 553269842 /nfs/dbraw/zinc/26/98/42/553269842.db2.gz YRSGDVIHBWCLBQ-LJQANCHMSA-N 0 3 355.482 2.335 20 30 FEEDHN Cc1cc(NCCNC[C@@H](O)COc2ccccc2C#N)nc(C(C)C)n1 ZINC000600762253 553312561 /nfs/dbraw/zinc/31/25/61/553312561.db2.gz PSRMMZFNCIXXKN-QGZVFWFLSA-N 0 3 369.469 2.222 20 30 FEEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN[C@@H]3C(=O)NCC[C@@H]3C)sc2C1 ZINC000298374099 553418137 /nfs/dbraw/zinc/41/81/37/553418137.db2.gz DBFMSWHKILMMAI-PEBVRCNWSA-N 0 3 374.510 2.187 20 30 FEEDHN CN(C)CCOc1ccccc1CNC(=O)NCC#Cc1ccccc1 ZINC000299336511 553549589 /nfs/dbraw/zinc/54/95/89/553549589.db2.gz SBMSJBXOVBOBTL-UHFFFAOYSA-N 0 3 351.450 2.478 20 30 FEEDHN CN1CCc2ncnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)c2C1 ZINC000299551083 553579866 /nfs/dbraw/zinc/57/98/66/553579866.db2.gz CCMJYKDSKQGFDL-UHFFFAOYSA-N 0 3 362.481 2.048 20 30 FEEDHN CCC[C@@H](NC(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504335907 561656566 /nfs/dbraw/zinc/65/65/66/561656566.db2.gz HYANJLHWHCGTSD-MSOLQXFVSA-N 0 3 356.470 2.337 20 30 FEEDHN CCN1CCN(CCCNc2cc(C#N)c(Br)cn2)CC1 ZINC000603276985 553751221 /nfs/dbraw/zinc/75/12/21/553751221.db2.gz UVHLLMSACWCDCA-UHFFFAOYSA-N 0 3 352.280 2.155 20 30 FEEDHN COc1cccc([C@@H]2C[C@@H](O)CN2CC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000328664762 553804142 /nfs/dbraw/zinc/80/41/42/553804142.db2.gz YUIPNNZKEHDPHM-QUCCMNQESA-N 0 3 373.497 2.386 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2nnc3n2CCCC3)C1 ZINC000328711190 553810779 /nfs/dbraw/zinc/81/07/79/553810779.db2.gz BBPZIBMAORSBLL-NVXWUHKLSA-N 0 3 368.485 2.454 20 30 FEEDHN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)CCO2)n1 ZINC000328743702 553815569 /nfs/dbraw/zinc/81/55/69/553815569.db2.gz OMOCIRBJXWMHKY-DFBGVHRSSA-N 0 3 350.488 2.222 20 30 FEEDHN CN1CC[C@H](NC(=O)N2CCn3c(nnc3C3CC3)C2)[C@@H]1c1ccccc1 ZINC000328818801 553827454 /nfs/dbraw/zinc/82/74/54/553827454.db2.gz HVWIHKTXPKWVTO-WMZOPIPTSA-N 0 3 366.469 2.331 20 30 FEEDHN CCN1CCC[C@H](NC(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000328838200 553830777 /nfs/dbraw/zinc/83/07/77/553830777.db2.gz TZCOVKJJSDDSLX-GOEBONIOSA-N 0 3 360.458 2.455 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)c1ccc2n[nH]c(=O)n2c1 ZINC000328905810 553842696 /nfs/dbraw/zinc/84/26/96/553842696.db2.gz BCJQEPHVLRWTJJ-UHFFFAOYSA-N 0 3 361.471 2.101 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC34CCN(C)CC4)C2)nn1 ZINC000329078050 553875920 /nfs/dbraw/zinc/87/59/20/553875920.db2.gz QKIDVHTVOBWACE-KRWDZBQOSA-N 0 3 372.517 2.228 20 30 FEEDHN CN(C(=O)CNC(=O)N1CCCC12CCN(C)CC2)C1CCCCC1 ZINC000329081037 553877182 /nfs/dbraw/zinc/87/71/82/553877182.db2.gz RPLBIDGCGQXOLU-UHFFFAOYSA-N 0 3 350.507 2.252 20 30 FEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C1 ZINC000329116384 553882933 /nfs/dbraw/zinc/88/29/33/553882933.db2.gz IOHLTCFZKKBBKC-HOTGVXAUSA-N 0 3 373.453 2.461 20 30 FEEDHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC2=CCN(C)CC2)cc1C ZINC000329216045 553904425 /nfs/dbraw/zinc/90/44/25/553904425.db2.gz NUIQXQHFTPFFPO-UHFFFAOYSA-N 0 3 365.499 2.142 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000329219047 553904817 /nfs/dbraw/zinc/90/48/17/553904817.db2.gz AORSXIJVIYBXCH-JKSUJKDBSA-N 0 3 367.515 2.493 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC ZINC000329244887 553909775 /nfs/dbraw/zinc/90/97/75/553909775.db2.gz UWVGXIGVTARABL-CQSZACIVSA-N 0 3 358.442 2.301 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)N[C@H](c1nccn1C)C1CCOCC1 ZINC000329259301 553912776 /nfs/dbraw/zinc/91/27/76/553912776.db2.gz AFFQPYPZMJLUTN-PVAVHDDUSA-N 0 3 363.506 2.074 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)[C@@H]2C1 ZINC000329417028 553942288 /nfs/dbraw/zinc/94/22/88/553942288.db2.gz FXVTYRFKVKLNFK-JFIYKMOQSA-N 0 3 362.518 2.108 20 30 FEEDHN CCn1ccnc1[C@H](NC(=O)N1CCN2CCC[C@H]2C1)C1CCOCC1 ZINC000329485058 553955957 /nfs/dbraw/zinc/95/59/57/553955957.db2.gz FUSCRJGHJGSKFP-DLBZAZTESA-N 0 3 361.490 2.065 20 30 FEEDHN CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)no1 ZINC000329527649 553962241 /nfs/dbraw/zinc/96/22/41/553962241.db2.gz UICGFBAHGUJIKU-NFAWXSAZSA-N 0 3 363.462 2.106 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1=O ZINC000329543528 553965083 /nfs/dbraw/zinc/96/50/83/553965083.db2.gz YIWYUHTTYFBLJC-HUUCEWRRSA-N 0 3 364.515 2.398 20 30 FEEDHN CN(C)C1(CNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CCCC1 ZINC000329627869 553978964 /nfs/dbraw/zinc/97/89/64/553978964.db2.gz POCASXGCCDBYFY-UHFFFAOYSA-N 0 3 371.547 2.208 20 30 FEEDHN COc1cc2c(=O)ncn(CC(=O)NC3CCN(C4CC4)CC3)c2cc1F ZINC000329644428 553981580 /nfs/dbraw/zinc/98/15/80/553981580.db2.gz ZDAFVWJIGMCOHA-UHFFFAOYSA-N 0 3 374.416 2.128 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)C2)nn1 ZINC000329779588 554003931 /nfs/dbraw/zinc/00/39/31/554003931.db2.gz RCPRWYHGJRJDOU-IXDOHACOSA-N 0 3 360.506 2.082 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1=O ZINC000329809561 554009887 /nfs/dbraw/zinc/00/98/87/554009887.db2.gz QCJQVTDDSXYVRU-BPQIPLTHSA-N 0 3 358.486 2.162 20 30 FEEDHN Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000329821102 554012004 /nfs/dbraw/zinc/01/20/04/554012004.db2.gz GRAOPPDYFPCVSA-ROUUACIJSA-N 0 3 368.481 2.216 20 30 FEEDHN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000329933668 554034870 /nfs/dbraw/zinc/03/48/70/554034870.db2.gz QEPRUYFIDVPNIQ-LZQZEXGQSA-N 0 3 358.486 2.164 20 30 FEEDHN CC1(C)CCCN(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000329947473 554036877 /nfs/dbraw/zinc/03/68/77/554036877.db2.gz KBRUIAJHPTTYKQ-UHFFFAOYSA-N 0 3 350.463 2.134 20 30 FEEDHN Cc1nccn1C[C@H](C)C[NH+]=C([O-])N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000330000667 554047405 /nfs/dbraw/zinc/04/74/05/554047405.db2.gz WVSSACUNVVYPMJ-KDOFPFPSSA-N 0 3 350.463 2.012 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CCN1C ZINC000330093468 554063361 /nfs/dbraw/zinc/06/33/61/554063361.db2.gz RPAGZLKDKZXJRO-GDBMZVCRSA-N 0 3 360.506 2.191 20 30 FEEDHN CC(C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000330163889 554076892 /nfs/dbraw/zinc/07/68/92/554076892.db2.gz SVEJBYXCNCWMTD-FZKCQIBNSA-N 0 3 374.547 2.292 20 30 FEEDHN O=C(NC1CCCCC1)NC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000330203550 554084468 /nfs/dbraw/zinc/08/44/68/554084468.db2.gz AWDRHXKDBZPPEJ-SFHVURJKSA-N 0 3 362.518 2.441 20 30 FEEDHN CCN1CCC(NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)CC1 ZINC000330223532 554088063 /nfs/dbraw/zinc/08/80/63/554088063.db2.gz AGULEHDSRRPKFQ-SFHVURJKSA-N 0 3 353.507 2.435 20 30 FEEDHN Cc1noc(C)c1[C@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000330254071 554093622 /nfs/dbraw/zinc/09/36/22/554093622.db2.gz JHAFHYLTWIQENV-KGLIPLIRSA-N 0 3 364.490 2.494 20 30 FEEDHN CN1CCC2(CC1)C[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1O2 ZINC000330260056 554094626 /nfs/dbraw/zinc/09/46/26/554094626.db2.gz NXFRINHQCCYGBV-HNNXBMFYSA-N 0 3 366.425 2.094 20 30 FEEDHN CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000330402358 554116739 /nfs/dbraw/zinc/11/67/39/554116739.db2.gz LASBZYBACNBYGW-HMDCTGQHSA-N 0 3 353.507 2.323 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000330663194 554153300 /nfs/dbraw/zinc/15/33/00/554153300.db2.gz VDKAULOLQYGKJV-OAHLLOKOSA-N 0 3 353.532 2.091 20 30 FEEDHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000330683480 554156957 /nfs/dbraw/zinc/15/69/57/554156957.db2.gz ITLDOYFISHIFCM-NSHDSACASA-N 0 3 361.414 2.209 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000508319837 561758795 /nfs/dbraw/zinc/75/87/95/561758795.db2.gz QYDSOHANXFHYHL-LJQANCHMSA-N 0 3 372.513 2.104 20 30 FEEDHN CC(=O)Nc1cccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)c1C ZINC000331285009 554241066 /nfs/dbraw/zinc/24/10/66/554241066.db2.gz XLTUTPFBYKVMLU-UHFFFAOYSA-N 0 3 361.490 2.305 20 30 FEEDHN CN(C)C(=O)CCN1CCC(Nc2cc(C#N)c3ccccc3n2)CC1 ZINC000609893334 554435117 /nfs/dbraw/zinc/43/51/17/554435117.db2.gz DZVGCHPBGXFWCO-UHFFFAOYSA-N 0 3 351.454 2.461 20 30 FEEDHN C[C@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CCN1C1CCN(C)CC1 ZINC000332402308 554439854 /nfs/dbraw/zinc/43/98/54/554439854.db2.gz WBLQSKJPHKCEPK-HNAYVOBHSA-N 0 3 355.486 2.235 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCN1C ZINC000332936428 554545574 /nfs/dbraw/zinc/54/55/74/554545574.db2.gz XALCJMVJEUSQLF-FXAWDEMLSA-N 0 3 369.513 2.258 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)CC1 ZINC000334017425 554668550 /nfs/dbraw/zinc/66/85/50/554668550.db2.gz BSUWUTPCEBHVAF-GOSISDBHSA-N 0 3 362.518 2.213 20 30 FEEDHN CN1CCC(CNc2nc3c(cc2C#N)CCCC3)(N2CCOCC2)CC1 ZINC000334136582 554682318 /nfs/dbraw/zinc/68/23/18/554682318.db2.gz YWKPQHDEYQGGMV-UHFFFAOYSA-N 0 3 369.513 2.041 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000613157137 554893967 /nfs/dbraw/zinc/89/39/67/554893967.db2.gz NSQVLCZNIFXZGY-INIZCTEOSA-N 0 3 365.441 2.053 20 30 FEEDHN C[C@@H]1CN(C(=O)C2CCN(CCOc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000363291318 555072045 /nfs/dbraw/zinc/07/20/45/555072045.db2.gz AYGLHFFVCFFJJS-CALCHBBNSA-N 0 3 371.481 2.285 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000363424118 555101985 /nfs/dbraw/zinc/10/19/85/555101985.db2.gz OSVXWEXWXJLWKZ-NSISKUIASA-N 0 3 355.482 2.496 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(NC(=O)C2CCC2)CC1 ZINC000363472477 555113932 /nfs/dbraw/zinc/11/39/32/555113932.db2.gz QOGJZWNJWMKCPP-UHFFFAOYSA-N 0 3 354.454 2.268 20 30 FEEDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNCc1cccc(C#N)c1 ZINC000363533554 555130333 /nfs/dbraw/zinc/13/03/33/555130333.db2.gz HUDAZSSAPDVRSY-UHFFFAOYSA-N 0 3 352.486 2.032 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000363709070 555168546 /nfs/dbraw/zinc/16/85/46/555168546.db2.gz LBLXYZHMPIKOBR-AZUAARDMSA-N 0 3 371.481 2.331 20 30 FEEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000363738637 555175536 /nfs/dbraw/zinc/17/55/36/555175536.db2.gz ZMDNKDXSOPHBGF-KRWDZBQOSA-N 0 3 357.454 2.085 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(C)nc1-c1cnn(C)c1)C(C)C ZINC000363739144 555176063 /nfs/dbraw/zinc/17/60/63/555176063.db2.gz ODKJYEVYWXMNMZ-GOSISDBHSA-N 0 3 370.501 2.249 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000363858150 555200780 /nfs/dbraw/zinc/20/07/80/555200780.db2.gz QYXFNFOIUSSFJY-QZTJIDSGSA-N 0 3 350.422 2.337 20 30 FEEDHN C=CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364277348 555283020 /nfs/dbraw/zinc/28/30/20/555283020.db2.gz AQXPTIYVBGYRPH-MOPGFXCFSA-N 0 3 370.497 2.079 20 30 FEEDHN N#CCCn1ccc(=NC(=O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)[nH]1 ZINC000364866557 555419344 /nfs/dbraw/zinc/41/93/44/555419344.db2.gz KMJVNBCJGBCBJO-WIYYLYMNSA-N 0 3 363.465 3.038 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365030935 555469171 /nfs/dbraw/zinc/46/91/71/555469171.db2.gz ZNMYYWZHWDMPMS-RTBURBONSA-N 0 3 368.481 2.040 20 30 FEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365534195 555601289 /nfs/dbraw/zinc/60/12/89/555601289.db2.gz FKJUILUIZBMJQC-PWIZWCRZSA-N 0 3 356.466 2.318 20 30 FEEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H]4[C@H](CO)[C@H]4C3)sc2C1 ZINC000366445627 555846281 /nfs/dbraw/zinc/84/62/81/555846281.db2.gz WHVWGMDPXOTUJZ-DANNLKNASA-N 0 3 359.495 2.243 20 30 FEEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H]4[C@H](CO)[C@H]4C3)sc2C1 ZINC000366445628 555846458 /nfs/dbraw/zinc/84/64/58/555846458.db2.gz WHVWGMDPXOTUJZ-FWYOQMDTSA-N 0 3 359.495 2.243 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366448147 555847266 /nfs/dbraw/zinc/84/72/66/555847266.db2.gz MCANZSXMXFYEJL-YJBOKZPZSA-N 0 3 356.470 2.199 20 30 FEEDHN N#Cc1ccc(S(N)(=O)=O)cc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000366818168 555942350 /nfs/dbraw/zinc/94/23/50/555942350.db2.gz JUDARKSXZAVEOF-KRWDZBQOSA-N 0 3 370.478 2.282 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000366832873 555946450 /nfs/dbraw/zinc/94/64/50/555946450.db2.gz PPJBCDYGZLLHDB-PKOBYXMFSA-N 0 3 374.460 2.047 20 30 FEEDHN Cc1cc(C#N)nc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)n1 ZINC000367349970 556025044 /nfs/dbraw/zinc/02/50/44/556025044.db2.gz WNYFOZVHHCEZMX-HXUWFJFHSA-N 0 3 362.481 2.053 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CCC(=O)N[C@H]2C2CC2)c1C ZINC000367460133 556056780 /nfs/dbraw/zinc/05/67/80/556056780.db2.gz YQIUXQVPSWTVLL-UTKZUKDTSA-N 0 3 368.481 2.197 20 30 FEEDHN COc1cccc(CCNCCS(=O)(=O)c2cccc(C#N)c2)c1OC ZINC000514741680 561977245 /nfs/dbraw/zinc/97/72/45/561977245.db2.gz SIBJDBNEVFWWPA-UHFFFAOYSA-N 0 3 374.462 2.181 20 30 FEEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000368495803 556326079 /nfs/dbraw/zinc/32/60/79/556326079.db2.gz KTYANWYOUJDBDZ-BOFPYLFWSA-N 0 3 372.444 2.108 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000368925302 556450068 /nfs/dbraw/zinc/45/00/68/556450068.db2.gz QZXZJIOLVQXVMN-LEWJYISDSA-N 0 3 360.498 2.311 20 30 FEEDHN C[C@H](N[C@H]1CCCC[C@H]1N1CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000368949975 556456814 /nfs/dbraw/zinc/45/68/14/556456814.db2.gz KVIOUKZVWGQHKL-ZYSHUDEJSA-N 0 3 356.470 2.118 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)CC1 ZINC000369041313 556485810 /nfs/dbraw/zinc/48/58/10/556485810.db2.gz KKNYBEAFEHKKEC-KRWDZBQOSA-N 0 3 363.408 2.084 20 30 FEEDHN CN1CCC2(CCCN2C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000369304346 556569160 /nfs/dbraw/zinc/56/91/60/556569160.db2.gz ATKLYJYXMKHYTP-UHFFFAOYSA-N 0 3 371.485 2.140 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(CN2CCCC2=O)CC1 ZINC000369809766 556700994 /nfs/dbraw/zinc/70/09/94/556700994.db2.gz FGPOMVGXYSAXOJ-UHFFFAOYSA-N 0 3 354.454 2.221 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000369873669 556718437 /nfs/dbraw/zinc/71/84/37/556718437.db2.gz MOEGGCXBTQMTDH-LSTHTHJFSA-N 0 3 370.497 2.289 20 30 FEEDHN C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCCC[C@H]1C ZINC000516564764 562048502 /nfs/dbraw/zinc/04/85/02/562048502.db2.gz GXZNYTIURGSWGM-IAGOWNOFSA-N 0 3 370.501 2.048 20 30 FEEDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000370207011 556810544 /nfs/dbraw/zinc/81/05/44/556810544.db2.gz GEMLRPPKNCZHPX-HOTGVXAUSA-N 0 3 356.470 2.305 20 30 FEEDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000370667437 556935076 /nfs/dbraw/zinc/93/50/76/556935076.db2.gz MKAOYGMBAZCYKG-AEFFLSMTSA-N 0 3 366.383 2.330 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896833 557006921 /nfs/dbraw/zinc/00/69/21/557006921.db2.gz CVNPDKDCQMZDID-OAHLLOKOSA-N 0 3 360.483 2.425 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000371088656 557071291 /nfs/dbraw/zinc/07/12/91/557071291.db2.gz QZJHXEBACFNXFD-SFHVURJKSA-N 0 3 356.470 2.434 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2nc(-c3ccccc3)no2)CC1 ZINC000371214411 557109391 /nfs/dbraw/zinc/10/93/91/557109391.db2.gz FDARLRZOBIAKSV-HNNXBMFYSA-N 0 3 352.438 2.129 20 30 FEEDHN C=CCN1CCC(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000517316224 562085154 /nfs/dbraw/zinc/08/51/54/562085154.db2.gz YVJRBXXVHOJGKT-UHFFFAOYSA-N 0 3 370.280 2.490 20 30 FEEDHN C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000371353505 557157678 /nfs/dbraw/zinc/15/76/78/557157678.db2.gz IZCDGGGBDVNLFJ-DGKOWBFYSA-N 0 3 352.482 2.056 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cc3ccccc3n(C)c2=O)CC1 ZINC000517469486 562090876 /nfs/dbraw/zinc/09/08/76/562090876.db2.gz YEQVBWVMZVFYDD-UHFFFAOYSA-N 0 3 368.481 2.378 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000518218335 562106551 /nfs/dbraw/zinc/10/65/51/562106551.db2.gz GZOFOBZQNDSYDB-IBGZPJMESA-N 0 3 357.498 2.186 20 30 FEEDHN CCN1C(=O)N=NC1C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000372014485 557356735 /nfs/dbraw/zinc/35/67/35/557356735.db2.gz YWYNPTDROLKGDA-UHFFFAOYSA-N 0 3 368.441 2.083 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000372462706 557477539 /nfs/dbraw/zinc/47/75/39/557477539.db2.gz IRSHHPHPDITEHY-YADHBBJMSA-N 0 3 364.493 2.439 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H]4CCCCCC[C@@H]43)CC2)o1 ZINC000372585785 557513381 /nfs/dbraw/zinc/51/33/81/557513381.db2.gz JVGFXTKFGRXRBD-WMZOPIPTSA-N 0 3 371.485 2.158 20 30 FEEDHN N#Cc1ccccc1Cn1cccc1CNC[C@H]1CN2CCC[C@@H]2CO1 ZINC000372671967 557534215 /nfs/dbraw/zinc/53/42/15/557534215.db2.gz FTOYBWKXHLVVQP-RTWAWAEBSA-N 0 3 350.466 2.361 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1 ZINC000373402724 557687474 /nfs/dbraw/zinc/68/74/74/557687474.db2.gz KTGWRJKCXUGNTB-VGOFRKELSA-N 0 3 370.412 2.363 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000373700194 557741259 /nfs/dbraw/zinc/74/12/59/557741259.db2.gz LSGCVXREKOXSAT-APWZRJJASA-N 0 3 368.481 2.040 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000373854297 557774089 /nfs/dbraw/zinc/77/40/89/557774089.db2.gz ZPWNQBBLZBEDDI-GOSISDBHSA-N 0 3 356.385 2.402 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)N1CCCC1 ZINC000520844444 562165091 /nfs/dbraw/zinc/16/50/91/562165091.db2.gz XGASRJASRNDGDJ-LSDHHAIUSA-N 0 3 374.510 2.477 20 30 FEEDHN C[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374322462 557865416 /nfs/dbraw/zinc/86/54/16/557865416.db2.gz DIEQMWISYKVKQX-APWZRJJASA-N 0 3 372.538 2.135 20 30 FEEDHN CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374333346 557867303 /nfs/dbraw/zinc/86/73/03/557867303.db2.gz UOUFMUSSMUUXPQ-KLHJMIIUSA-N 0 3 366.465 2.121 20 30 FEEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)COc1ccc(C#N)cc1 ZINC000375274818 558002774 /nfs/dbraw/zinc/00/27/74/558002774.db2.gz KNBHQODLFSMJHK-RXVVDRJESA-N 0 3 364.449 2.483 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000521560793 562178720 /nfs/dbraw/zinc/17/87/20/562178720.db2.gz XXGUIWAFJFPYJR-PKOBYXMFSA-N 0 3 360.479 2.186 20 30 FEEDHN CC(C)n1nc2c(cc1=O)CN(CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000375884009 558093458 /nfs/dbraw/zinc/09/34/58/558093458.db2.gz USUNAJVJBQIHSR-UHFFFAOYSA-N 0 3 365.437 2.083 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000376631946 558200336 /nfs/dbraw/zinc/20/03/36/558200336.db2.gz YEZXJUYIMCFACL-HFBAOOFYSA-N 0 3 363.439 2.061 20 30 FEEDHN COC[C@]1(CNCc2cnc3ccc(C#N)cn23)OCCc2ccccc21 ZINC000377723332 558405642 /nfs/dbraw/zinc/40/56/42/558405642.db2.gz NDWAVHVDRXYFHM-NRFANRHFSA-N 0 3 362.433 2.410 20 30 FEEDHN N#CCCCCS(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000377770846 558416630 /nfs/dbraw/zinc/41/66/30/558416630.db2.gz QWQQALBUDWGGAF-RTBURBONSA-N 0 3 361.511 2.464 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000378459542 558562535 /nfs/dbraw/zinc/56/25/35/558562535.db2.gz UAQWJEUSAZPSTG-GJYPPUQNSA-N 0 3 358.461 2.487 20 30 FEEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC1 ZINC000410403508 558755577 /nfs/dbraw/zinc/75/55/77/558755577.db2.gz LGKIFFXYLHIYRL-UHFFFAOYSA-N 0 3 361.389 2.340 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CNC(C)(C)CN2CCOCC2)c1 ZINC000412009099 559001767 /nfs/dbraw/zinc/00/17/67/559001767.db2.gz ZXARAWIFJALCLR-UHFFFAOYSA-N 0 3 372.513 2.251 20 30 FEEDHN C[C@@H](NC(=O)c1cccc(SCC#N)c1)C(=O)NCCN1CCCCC1 ZINC000412319090 559027495 /nfs/dbraw/zinc/02/74/95/559027495.db2.gz HUMAOOQGBYHHOR-OAHLLOKOSA-N 0 3 374.510 2.023 20 30 FEEDHN C=CCNc1ncc(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)s1 ZINC000412419467 559034283 /nfs/dbraw/zinc/03/42/83/559034283.db2.gz QAJKDOOUMOLEBV-UHFFFAOYSA-N 0 3 364.446 3.073 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000412721958 559052849 /nfs/dbraw/zinc/05/28/49/559052849.db2.gz XCXCDUSRBVQXLG-MSOLQXFVSA-N 0 3 351.381 2.272 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000412838198 559058091 /nfs/dbraw/zinc/05/80/91/559058091.db2.gz JMJUIRPNICRBQV-DOTOQJQBSA-N 0 3 365.495 2.272 20 30 FEEDHN Cc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413217089 559089280 /nfs/dbraw/zinc/08/92/80/559089280.db2.gz XGQOTINGUVNBIS-DOTOQJQBSA-N 0 3 357.458 2.237 20 30 FEEDHN CNCc1ccccc1NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000415185071 559213013 /nfs/dbraw/zinc/21/30/13/559213013.db2.gz POISBMUZNQFXCF-UHFFFAOYSA-N 0 3 362.433 2.407 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000415421290 559233900 /nfs/dbraw/zinc/23/39/00/559233900.db2.gz BZGDRXISKIGMQU-QGZVFWFLSA-N 0 3 372.469 2.308 20 30 FEEDHN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H](CN)C3CC3)c2)cc1 ZINC000415455850 559238991 /nfs/dbraw/zinc/23/89/91/559238991.db2.gz QAZXTAALCXMLNB-GOSISDBHSA-N 0 3 364.405 2.143 20 30 FEEDHN C[C@@H]1NCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H]1C ZINC000417580677 559367553 /nfs/dbraw/zinc/36/75/53/559367553.db2.gz RKCCMHJOYSJFSN-OFQRWUPVSA-N 0 3 359.449 2.058 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CNCC[C@@H]1c1ccc(OC)cc1 ZINC000419153572 559430157 /nfs/dbraw/zinc/43/01/57/559430157.db2.gz OUQOJJVHAGFPQC-KFKAGJAMSA-N 0 3 373.497 2.118 20 30 FEEDHN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1ccc(C#N)cc1Br ZINC000419346357 559438762 /nfs/dbraw/zinc/43/87/62/559438762.db2.gz VBPUCYGUXWZXPK-QWHCGFSZSA-N 0 3 352.276 2.208 20 30 FEEDHN C=CCC[C@H]1NC(=O)N(C[C@@H]2CN(Cc3ccccc3)C[C@H]2OCC)C1=O ZINC000420078811 559471483 /nfs/dbraw/zinc/47/14/83/559471483.db2.gz DFOKASMRNRDKBW-IPMKNSEASA-N 0 3 371.481 2.410 20 30 FEEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCCN1C ZINC000420996224 559518574 /nfs/dbraw/zinc/51/85/74/559518574.db2.gz FRBXDTYXBLPIBF-KRWDZBQOSA-N 0 3 367.415 2.199 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)c(C#N)cn1CC ZINC000421189384 559530118 /nfs/dbraw/zinc/53/01/18/559530118.db2.gz ZYJKWTLRFCLSDP-LJQANCHMSA-N 0 3 373.457 2.116 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)CCN1Cc1ccccc1 ZINC000422307704 559577402 /nfs/dbraw/zinc/57/74/02/559577402.db2.gz OMHFXMXLRJNVJM-WMZOPIPTSA-N 0 3 370.497 2.212 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422343172 559579929 /nfs/dbraw/zinc/57/99/29/559579929.db2.gz SGPJNNMNURFVAA-FUHWJXTLSA-N 0 3 370.497 2.069 20 30 FEEDHN CC(C)(CC#N)CNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000422357833 559581316 /nfs/dbraw/zinc/58/13/16/559581316.db2.gz BIWUKPUEWHQMIE-UHFFFAOYSA-N 0 3 362.518 2.205 20 30 FEEDHN CC(C)(C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H](N)c1ccccc1 ZINC000422720756 559604207 /nfs/dbraw/zinc/60/42/07/559604207.db2.gz MVBYSXLOCKTXDR-IBGZPJMESA-N 0 3 363.465 2.328 20 30 FEEDHN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H](N)CCCC#N)ccc21 ZINC000424110472 559655200 /nfs/dbraw/zinc/65/52/00/559655200.db2.gz CYDUEOFNKZYTGN-QGZVFWFLSA-N 0 3 369.469 2.469 20 30 FEEDHN CCC(CC)NC(=O)[C@H]1CN(C(=O)[C@H](N)CCCC#N)c2ccccc2O1 ZINC000424117407 559655405 /nfs/dbraw/zinc/65/54/05/559655405.db2.gz YNZYLNNLMYZYSU-CRAIPNDOSA-N 0 3 372.469 2.107 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000424179868 559656852 /nfs/dbraw/zinc/65/68/52/559656852.db2.gz ZUOCTTBFPIWHOS-CYBMUJFWSA-N 0 3 351.332 2.851 20 30 FEEDHN CN1CC[C@H](NC(=O)[C@@H](N)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424178596 559656912 /nfs/dbraw/zinc/65/69/12/559656912.db2.gz XETFZSKUXOLPEK-HRCADAONSA-N 0 3 352.841 2.362 20 30 FEEDHN Cc1cc(CN)cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000424432097 559664518 /nfs/dbraw/zinc/66/45/18/559664518.db2.gz BDJJOGARCYDGHX-UHFFFAOYSA-N 0 3 350.426 2.075 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)nn1 ZINC000425430210 559702018 /nfs/dbraw/zinc/70/20/18/559702018.db2.gz DPVIDRLMPKLPJL-LJQANCHMSA-N 0 3 368.485 2.318 20 30 FEEDHN CC(C)CN1CCO[C@@H](CNC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547027 559709067 /nfs/dbraw/zinc/70/90/67/559709067.db2.gz WWNUUXFAOFNTEW-XLIONFOSSA-N 0 3 372.513 2.024 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425995181 559727158 /nfs/dbraw/zinc/72/71/58/559727158.db2.gz TVVOZFJCHZORFE-UGKGYDQZSA-N 0 3 371.525 2.144 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000428908828 559785757 /nfs/dbraw/zinc/78/57/57/559785757.db2.gz VKSUWEWBOAYVDO-IAGOWNOFSA-N 0 3 364.534 2.384 20 30 FEEDHN C[C@H]1C[C@H]1N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1 ZINC000429019583 559788679 /nfs/dbraw/zinc/78/86/79/559788679.db2.gz JNKUVQHNZFLHMN-WOUAJJJCSA-N 0 3 352.482 2.326 20 30 FEEDHN CC(C)(C)NC(=O)CCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000433327070 559877079 /nfs/dbraw/zinc/87/70/79/559877079.db2.gz QSLJHUKVMWHJJJ-UHFFFAOYSA-N 0 3 354.458 2.253 20 30 FEEDHN N#Cc1ccc(CN2CCN(C[C@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000437648095 559967290 /nfs/dbraw/zinc/96/72/90/559967290.db2.gz FUNMMPKZSOVEBZ-OAHLLOKOSA-N 0 3 351.397 2.314 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440989653 560020925 /nfs/dbraw/zinc/02/09/25/560020925.db2.gz UNCFPGLTMIDHMV-UHFFFAOYSA-N 0 3 350.532 2.472 20 30 FEEDHN CN(C)CCOCCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442229064 560046424 /nfs/dbraw/zinc/04/64/24/560046424.db2.gz ZFUDRTGPDNHRJP-UHFFFAOYSA-N 0 3 360.336 2.157 20 30 FEEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)C1 ZINC000442774928 560057056 /nfs/dbraw/zinc/05/70/56/560057056.db2.gz BDTWMHNQDXJVPL-NJAFHUGGSA-N 0 3 357.454 2.142 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C)c(Br)c1 ZINC000445548862 560132721 /nfs/dbraw/zinc/13/27/21/560132721.db2.gz KHYBXZKVEHCRAS-NSHDSACASA-N 0 3 360.273 2.363 20 30 FEEDHN CN(C)C1(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCC1 ZINC000445846146 560135484 /nfs/dbraw/zinc/13/54/84/560135484.db2.gz DXMHCPOCADNVKV-UHFFFAOYSA-N 0 3 359.449 2.013 20 30 FEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000448739091 560197354 /nfs/dbraw/zinc/19/73/54/560197354.db2.gz SHOOGDGUORNWNR-WIYYLYMNSA-N 0 3 354.498 2.250 20 30 FEEDHN CCN(CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000448900490 560205681 /nfs/dbraw/zinc/20/56/81/560205681.db2.gz ZRBNNPLSQIAPTG-CQSZACIVSA-N 0 3 374.872 2.165 20 30 FEEDHN C[C@H]1CCN(C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448982110 560210287 /nfs/dbraw/zinc/21/02/87/560210287.db2.gz WIUVMTRLOOCMMK-DZGCQCFKSA-N 0 3 374.872 2.117 20 30 FEEDHN N#CCc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c(Cl)c1 ZINC000451052896 560284756 /nfs/dbraw/zinc/28/47/56/560284756.db2.gz FZOWOMWWGPSLBJ-CABCVRRESA-N 0 3 353.875 2.311 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1 ZINC000451232020 560294562 /nfs/dbraw/zinc/29/45/62/560294562.db2.gz WZQCHZRJKDUIPZ-DLBZAZTESA-N 0 3 362.433 2.168 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451608184 560317236 /nfs/dbraw/zinc/31/72/36/560317236.db2.gz RIYLWPGMTFUHBX-CVEARBPZSA-N 0 3 352.356 2.106 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000451676416 560321365 /nfs/dbraw/zinc/32/13/65/560321365.db2.gz AARMDEKBXPXZID-NEPJUHHUSA-N 0 3 371.363 2.365 20 30 FEEDHN C=CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000453410455 560386193 /nfs/dbraw/zinc/38/61/93/560386193.db2.gz BCPBJXRZEVUKJX-MRXNPFEDSA-N 0 3 370.457 2.046 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000453629497 560392100 /nfs/dbraw/zinc/39/21/00/560392100.db2.gz XXGMJKYPUDLQEM-HNNXBMFYSA-N 0 3 356.470 2.318 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000453647395 560393185 /nfs/dbraw/zinc/39/31/85/560393185.db2.gz VSFUYGMLPZBYJF-CQSZACIVSA-N 0 3 374.872 2.478 20 30 FEEDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453706824 560398477 /nfs/dbraw/zinc/39/84/77/560398477.db2.gz GHSHYDGFBHGVAX-JSGCOSHPSA-N 0 3 360.845 2.040 20 30 FEEDHN Cc1nc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1C#N ZINC000453732182 560400250 /nfs/dbraw/zinc/40/02/50/560400250.db2.gz CVWCNMOVOYDCPW-KSSFIOAISA-N 0 3 365.437 2.008 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756009 560401885 /nfs/dbraw/zinc/40/18/85/560401885.db2.gz XTFXFGLOLPSFIO-ZFWWWQNUSA-N 0 3 374.872 2.430 20 30 FEEDHN C=C(C)CCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000453894920 560411366 /nfs/dbraw/zinc/41/13/66/560411366.db2.gz SKBBWNWNHWHGAE-UHFFFAOYSA-N 0 3 361.511 2.299 20 30 FEEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000454008445 560421683 /nfs/dbraw/zinc/42/16/83/560421683.db2.gz KACAQDACHKTZLX-UHFFFAOYSA-N 0 3 371.485 2.251 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O)C(C)C ZINC000455623026 560489576 /nfs/dbraw/zinc/48/95/76/560489576.db2.gz MCLXFXKNERBEIB-KZNAEPCWSA-N 0 3 362.518 2.138 20 30 FEEDHN CN1CCC(O)(CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000455790461 560494760 /nfs/dbraw/zinc/49/47/60/560494760.db2.gz IJZCMNFIJUNFTQ-UHFFFAOYSA-N 0 3 360.458 2.314 20 30 FEEDHN Cc1cc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)ncc1C#N ZINC000457692674 560582106 /nfs/dbraw/zinc/58/21/06/560582106.db2.gz GWTBBJYZVODOFQ-IBGZPJMESA-N 0 3 364.449 2.148 20 30 FEEDHN CN(CC(C)(C)C#N)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000457707179 560582888 /nfs/dbraw/zinc/58/28/88/560582888.db2.gz AMQLKQRVVYYJDH-UHFFFAOYSA-N 0 3 371.529 2.385 20 30 FEEDHN CN(C)CC(C)(C)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000458365852 560617332 /nfs/dbraw/zinc/61/73/32/560617332.db2.gz KWHZTIWXKLCKRQ-OAHLLOKOSA-N 0 3 361.465 2.306 20 30 FEEDHN C=CC[C@@H](CO)CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458878921 560653643 /nfs/dbraw/zinc/65/36/43/560653643.db2.gz BULUXJIBPGSLNL-PBHICJAKSA-N 0 3 351.516 2.495 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459005234 560661266 /nfs/dbraw/zinc/66/12/66/560661266.db2.gz HLSBZUKAVCCPOI-CUWPLCDZSA-N 0 3 370.497 2.347 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000459033690 560662974 /nfs/dbraw/zinc/66/29/74/560662974.db2.gz RSYDGEXKCCXNEN-SJORKVTESA-N 0 3 353.413 2.382 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)Nc2snc(C)c2C#N)CC1 ZINC000459555234 560693889 /nfs/dbraw/zinc/69/38/89/560693889.db2.gz QXMJDWYBVANEGG-UHFFFAOYSA-N 0 3 351.476 2.334 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)N(CCN(CC)CC)Cc1cccs1 ZINC000459878671 560715796 /nfs/dbraw/zinc/71/57/96/560715796.db2.gz WBCLDZXOKCPZNN-UHFFFAOYSA-N 0 3 351.516 2.453 20 30 FEEDHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000459993326 560727181 /nfs/dbraw/zinc/72/71/81/560727181.db2.gz SKUCJVCJTLYNAU-UHFFFAOYSA-N 0 3 372.513 2.343 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C(=O)OC)[C@@H]1C)C(C)C ZINC000468434049 560929893 /nfs/dbraw/zinc/92/98/93/560929893.db2.gz CHOAOTDYPYMELI-YESZJQIVSA-N 0 3 351.491 2.278 20 30 FEEDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C ZINC000469998849 560971352 /nfs/dbraw/zinc/97/13/52/560971352.db2.gz HVHJGAIMBUUTPC-NWDGAFQWSA-N 0 3 361.467 2.320 20 30 FEEDHN CN(Cc1ccccc1)C(=O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470848170 560991337 /nfs/dbraw/zinc/99/13/37/560991337.db2.gz RAVUODOPYRJQOU-IBGZPJMESA-N 0 3 360.417 2.015 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000471555543 561007022 /nfs/dbraw/zinc/00/70/22/561007022.db2.gz MJYVXXDFVRZSIV-SFHVURJKSA-N 0 3 360.417 2.295 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472256177 561022060 /nfs/dbraw/zinc/02/20/60/561022060.db2.gz FUQORAXHRBLOTI-LJQANCHMSA-N 0 3 368.481 2.246 20 30 FEEDHN C=C(C)COCCNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000475069671 561089477 /nfs/dbraw/zinc/08/94/77/561089477.db2.gz ZRAISIZDBMZZCQ-UHFFFAOYSA-N 0 3 374.529 2.038 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cnn(CCO)c2-c2ccccc2)CC1 ZINC000475640764 561101379 /nfs/dbraw/zinc/10/13/79/561101379.db2.gz IIEVUQBSAGMLOX-UHFFFAOYSA-N 0 3 368.481 2.313 20 30 FEEDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000477083395 561136166 /nfs/dbraw/zinc/13/61/66/561136166.db2.gz PLANUIOFRFRJLE-MRXNPFEDSA-N 0 3 358.486 2.142 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000528405182 562327247 /nfs/dbraw/zinc/32/72/47/562327247.db2.gz SIIRNGHPUXTFOP-KSZLIROESA-N 0 3 356.422 2.479 20 30 FEEDHN CC(C)n1cnnc1[C@@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528422934 562328480 /nfs/dbraw/zinc/32/84/80/562328480.db2.gz GRJLHPQQOPLICB-QZTJIDSGSA-N 0 3 369.469 2.350 20 30 FEEDHN C[C@@H](O)C[C@@H]1CCCCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504076 562332910 /nfs/dbraw/zinc/33/29/10/562332910.db2.gz GNJMKTBULBMAQQ-SJORKVTESA-N 0 3 354.450 2.302 20 30 FEEDHN CCOC[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000528722851 562343807 /nfs/dbraw/zinc/34/38/07/562343807.db2.gz IURYQUBQNCDEQR-ZIAGYGMSSA-N 0 3 359.451 2.210 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1OC ZINC000528921096 562353014 /nfs/dbraw/zinc/35/30/14/562353014.db2.gz SNMMTMVTIIYLPF-MMWXERNNSA-N 0 3 360.410 2.411 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCCN(c2ccccc2)C1=O ZINC000530230186 562403036 /nfs/dbraw/zinc/40/30/36/562403036.db2.gz FDHFHJFTGCHTQD-RBUKOAKNSA-N 0 3 365.433 2.083 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000530232855 562403270 /nfs/dbraw/zinc/40/32/70/562403270.db2.gz TYFKNYCNDJIRRS-MOPGFXCFSA-N 0 3 371.481 2.069 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000531283689 562440620 /nfs/dbraw/zinc/44/06/20/562440620.db2.gz KDVXVODOYICVAK-LSDHHAIUSA-N 0 3 374.510 2.335 20 30 FEEDHN CC1CC(C#N)(C(=O)N2CCN(c3ccccc3OCCN(C)C)CC2)C1 ZINC000531569134 562450272 /nfs/dbraw/zinc/45/02/72/562450272.db2.gz QSVJKLKETKOCOS-UHFFFAOYSA-N 0 3 370.497 2.215 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc3ccncc32)CC1 ZINC000531787157 562456634 /nfs/dbraw/zinc/45/66/34/562456634.db2.gz LRGWRMIYKOJBLY-UHFFFAOYSA-N 0 3 352.438 2.330 20 30 FEEDHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000533038951 562496510 /nfs/dbraw/zinc/49/65/10/562496510.db2.gz WJGAJSLFPBMYKE-HNNXBMFYSA-N 0 3 353.463 2.486 20 30 FEEDHN N#CCC1CCN(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000541967082 562624645 /nfs/dbraw/zinc/62/46/45/562624645.db2.gz LVCKEFOYJNRFKE-UHFFFAOYSA-N 0 3 370.497 2.479 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCSC[C@@H](C)C1)C(C)C ZINC000556206495 674392183 /nfs/dbraw/zinc/39/21/83/674392183.db2.gz LBWBMJUTSGGSOM-DLBZAZTESA-N 0 3 367.559 2.013 20 30 FEEDHN C=CCNC(=O)[C@H](C)Sc1nnc(CCN2CCCCC2)n1CC=C ZINC000601983795 567896153 /nfs/dbraw/zinc/89/61/53/567896153.db2.gz WAXMWTRPWPYPPS-HNNXBMFYSA-N 0 3 363.531 2.275 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)ccc2[nH]c1=O ZINC000602196607 567950184 /nfs/dbraw/zinc/95/01/84/567950184.db2.gz PKUOOPYTGLFMAG-ZBFHGGJFSA-N 0 3 355.442 2.068 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(CCc3ccncc3)CC2)cc1 ZINC000602199127 567950673 /nfs/dbraw/zinc/95/06/73/567950673.db2.gz NAKFKZGYCPFFSI-NRFANRHFSA-N 0 3 373.460 2.022 20 30 FEEDHN C[C@@H]1CN(CCCNC(=O)N2CCc3c(CC#N)cccc3C2)CCCO1 ZINC000602303605 567965076 /nfs/dbraw/zinc/96/50/76/567965076.db2.gz WBHMWABLERBZEP-QGZVFWFLSA-N 0 3 370.497 2.321 20 30 FEEDHN CCN1CCN(c2ccc(CN[C@@H](C)CC3(C#N)CCOCC3)cn2)CC1 ZINC000602513720 567989499 /nfs/dbraw/zinc/98/94/99/567989499.db2.gz HBFBCJCZUOMCEF-SFHVURJKSA-N 0 3 371.529 2.412 20 30 FEEDHN CN(C(=O)CN1CCCN(c2ccncc2)CC1)C1(C#N)CCCCC1 ZINC000602844728 567999982 /nfs/dbraw/zinc/99/99/82/567999982.db2.gz FBOUHWIKOFTIKV-UHFFFAOYSA-N 0 3 355.486 2.279 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000602722082 568023073 /nfs/dbraw/zinc/02/30/73/568023073.db2.gz LZIXBFCYABXRNO-FPOVZHCZSA-N 0 3 370.541 2.491 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNCCCc2nc3ccccc3[nH]2)c1 ZINC000568621155 568099781 /nfs/dbraw/zinc/09/97/81/568099781.db2.gz MZCGWRBZQGEEHU-UHFFFAOYSA-N 0 3 368.462 2.431 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ncc(OC)cc2Br)CC1 ZINC000809276694 674489744 /nfs/dbraw/zinc/48/97/44/674489744.db2.gz XOHVLGKZVLJXKT-UHFFFAOYSA-N 0 3 352.232 2.136 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000559377084 674540537 /nfs/dbraw/zinc/54/05/37/674540537.db2.gz GXNRGOXQKCXEKF-NSHDSACASA-N 0 3 368.279 2.250 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824584624 608464167 /nfs/dbraw/zinc/46/41/67/608464167.db2.gz CUAZITSSBLNBLC-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824584624 608464169 /nfs/dbraw/zinc/46/41/69/608464169.db2.gz CUAZITSSBLNBLC-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN N#Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)o1 ZINC000826384786 608570615 /nfs/dbraw/zinc/57/06/15/608570615.db2.gz JSYAZBOVONDDLZ-UHFFFAOYSA-N 0 3 365.397 2.206 20 30 FEEDHN N#Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)o1 ZINC000826384786 608570617 /nfs/dbraw/zinc/57/06/17/608570617.db2.gz JSYAZBOVONDDLZ-UHFFFAOYSA-N 0 3 365.397 2.206 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2cc(Cl)ccc2F)CC1 ZINC000561413429 674663582 /nfs/dbraw/zinc/66/35/82/674663582.db2.gz LWCAZUUORCGVTH-UHFFFAOYSA-N 0 3 367.852 2.204 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1nncn1C ZINC000561439752 674666747 /nfs/dbraw/zinc/66/67/47/674666747.db2.gz AILSJXFVNXVLJK-AWEZNQCLSA-N 0 3 361.519 2.474 20 30 FEEDHN Cc1nocc1C=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000814726814 674876380 /nfs/dbraw/zinc/87/63/80/674876380.db2.gz CYZLWSVRVFDOOK-UHFFFAOYSA-N 0 3 357.483 2.446 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2c(F)cccc2F)CC1 ZINC000077566981 670567190 /nfs/dbraw/zinc/56/71/90/670567190.db2.gz XVJQMYVJTSMVCM-MRXNPFEDSA-N 0 3 353.413 2.338 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000570739124 670761788 /nfs/dbraw/zinc/76/17/88/670761788.db2.gz QWCYZKBDYGTJES-QAPCUYQASA-N 0 3 360.889 2.391 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000113651778 670886481 /nfs/dbraw/zinc/88/64/81/670886481.db2.gz BWPOTCFIPIFENU-PWSUYJOCSA-N 0 3 356.781 2.108 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCN(c3ncc[nH]3)CC2)cc1Cl ZINC000575999516 671337269 /nfs/dbraw/zinc/33/72/69/671337269.db2.gz IQPZZDRUADLMGM-UHFFFAOYSA-N 0 3 358.833 2.086 20 30 FEEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000577292569 671585717 /nfs/dbraw/zinc/58/57/17/671585717.db2.gz JJHFPCKWVGXYGX-HKUYNNGSSA-N 0 3 360.841 2.469 20 30 FEEDHN N#CCN1CCC(NCc2cc3c(cc2Br)OCO3)CC1 ZINC000609334992 675918850 /nfs/dbraw/zinc/91/88/50/675918850.db2.gz OITNGARXMGDXJH-UHFFFAOYSA-N 0 3 352.232 2.255 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNCC2(CCO)CCCCC2)c1 ZINC000579231369 671721143 /nfs/dbraw/zinc/72/11/43/671721143.db2.gz CHQCWQJZCYFIGA-UHFFFAOYSA-N 0 3 350.484 2.254 20 30 FEEDHN CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1F ZINC000579343841 671728783 /nfs/dbraw/zinc/72/87/83/671728783.db2.gz MNEZMIWUCROTNE-UHFFFAOYSA-N 0 3 361.442 2.433 20 30 FEEDHN C#CCSCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000121482844 671950559 /nfs/dbraw/zinc/95/05/59/671950559.db2.gz OJJWDRGXCHVVQL-UHFFFAOYSA-N 0 3 355.454 2.404 20 30 FEEDHN COC1([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)CCOCC1 ZINC000582778995 672033301 /nfs/dbraw/zinc/03/33/01/672033301.db2.gz QFAUDEGBJPNFEY-CYBMUJFWSA-N 0 3 351.472 2.349 20 30 FEEDHN CCO[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1(CC)CC ZINC000584017537 672147812 /nfs/dbraw/zinc/14/78/12/672147812.db2.gz WKLKXMGSBQWGQQ-HZPDHXFCSA-N 0 3 365.499 2.300 20 30 FEEDHN C#CCOc1ccc(CNCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000158320871 672268323 /nfs/dbraw/zinc/26/83/23/672268323.db2.gz LKPCZOYBWLLINV-UHFFFAOYSA-N 0 3 364.492 2.170 20 30 FEEDHN N#Cc1cccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000589459598 672527150 /nfs/dbraw/zinc/52/71/50/672527150.db2.gz BPROCUGGVWKLMZ-UHFFFAOYSA-N 0 3 352.360 2.488 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000193422324 672723890 /nfs/dbraw/zinc/72/38/90/672723890.db2.gz ATVSVKLBFIFGIP-HNNXBMFYSA-N 0 3 357.435 2.133 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]\CCCN(C)S(=O)(=O)CC)c([O-])c1 ZINC000255127103 672885056 /nfs/dbraw/zinc/88/50/56/672885056.db2.gz ZKFXDHHJUADARE-JXAWBTAJSA-N 0 3 355.504 2.329 20 30 FEEDHN C[NH+](C)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000593618151 672959499 /nfs/dbraw/zinc/95/94/99/672959499.db2.gz YYQPSIKEDPXLHI-ZDUSSCGKSA-N 0 3 367.858 2.428 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC000594326948 673059002 /nfs/dbraw/zinc/05/90/02/673059002.db2.gz SNMWHQXYWKVISU-CVEARBPZSA-N 0 3 360.845 2.283 20 30 FEEDHN C[C@@H]1CN(Cc2csc(NC(=O)[C@H](N)CCCCC#N)n2)C[C@@H](C)O1 ZINC000594441361 673071850 /nfs/dbraw/zinc/07/18/50/673071850.db2.gz QYEZCTWDMKCXSL-UMVBOHGHSA-N 0 3 365.503 2.102 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000594448047 673073351 /nfs/dbraw/zinc/07/33/51/673073351.db2.gz ZJGANPWSBYCFCG-AWEZNQCLSA-N 0 3 361.833 2.460 20 30 FEEDHN COCCN1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)C1 ZINC000329246378 673074062 /nfs/dbraw/zinc/07/40/62/673074062.db2.gz RCFDMDPIPHUSLW-BBWFWOEESA-N 0 3 351.491 2.092 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1cnn(C)c1 ZINC000726319753 673116084 /nfs/dbraw/zinc/11/60/84/673116084.db2.gz NJFKOMXXLFMHEC-LBPRGKRZSA-N 0 3 360.801 2.281 20 30 FEEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000594769802 673136307 /nfs/dbraw/zinc/13/63/07/673136307.db2.gz KYBIHHYZQFKNDW-OKILXGFUSA-N 0 3 361.492 2.264 20 30 FEEDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000595194494 673207692 /nfs/dbraw/zinc/20/76/92/673207692.db2.gz NWFWMEBBCAOUOL-CQSZACIVSA-N 0 3 360.483 2.231 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCCCNC1=O ZINC000729851749 673250295 /nfs/dbraw/zinc/25/02/95/673250295.db2.gz KMALSWLNXKJCII-JSGCOSHPSA-N 0 3 356.451 2.073 20 30 FEEDHN CCOCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000729890203 673252174 /nfs/dbraw/zinc/25/21/74/673252174.db2.gz YZLMLTSMNBEFJI-YPMHNXCESA-N 0 3 368.817 2.438 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)CN1C1CC1 ZINC000595553436 673265482 /nfs/dbraw/zinc/26/54/82/673265482.db2.gz HEPKZILDXADQEB-UONOGXRCSA-N 0 3 359.499 2.077 20 30 FEEDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000595631323 673276249 /nfs/dbraw/zinc/27/62/49/673276249.db2.gz HENBHGLJLRXXMF-IIAWOOMASA-N 0 3 365.499 2.331 20 30 FEEDHN Cc1cc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)n(CCC#N)n1 ZINC000596892737 673423406 /nfs/dbraw/zinc/42/34/06/673423406.db2.gz DEHIQHUZJPHHSK-NWDGAFQWSA-N 0 3 360.336 2.028 20 30 FEEDHN CCOCCC[N@@H+]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@@H](C)C1 ZINC000735229826 673486891 /nfs/dbraw/zinc/48/68/91/673486891.db2.gz SKHISWIQAUAETO-INIZCTEOSA-N 0 3 367.515 2.230 20 30 FEEDHN CCOCCC[N@H+]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@@H](C)C1 ZINC000735229826 673486893 /nfs/dbraw/zinc/48/68/93/673486893.db2.gz SKHISWIQAUAETO-INIZCTEOSA-N 0 3 367.515 2.230 20 30 FEEDHN CCOCCCN1CCC(=NNS(=O)(=O)Cc2ccccc2)[C@@H](C)C1 ZINC000735229826 673486894 /nfs/dbraw/zinc/48/68/94/673486894.db2.gz SKHISWIQAUAETO-INIZCTEOSA-N 0 3 367.515 2.230 20 30 FEEDHN C=C(Cl)CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000736399277 673524279 /nfs/dbraw/zinc/52/42/79/673524279.db2.gz YFDUFAQVOKPIGD-QGZVFWFLSA-N 0 3 350.894 2.417 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](c2cccs2)C2CC2)CC1 ZINC000542510042 673587523 /nfs/dbraw/zinc/58/75/23/673587523.db2.gz ISCPASKAVFGEGS-APWZRJJASA-N 0 3 360.527 2.481 20 30 FEEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545156252 673747344 /nfs/dbraw/zinc/74/73/44/673747344.db2.gz QGDVTCJLAKSSKW-INIZCTEOSA-N 0 3 358.360 2.067 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000744029587 673779755 /nfs/dbraw/zinc/77/97/55/673779755.db2.gz VOVOKYFOYIXJRK-ZWNOBZJWSA-N 0 3 351.200 2.227 20 30 FEEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nnn1C ZINC000744030519 673779768 /nfs/dbraw/zinc/77/97/68/673779768.db2.gz HARFFOYHQPCEPM-SECBINFHSA-N 0 3 352.181 2.392 20 30 FEEDHN CCS(=O)(=O)c1cc(Cl)cc(CNC[C@H](O)CC2(C#N)CC2)c1 ZINC000600736820 673795608 /nfs/dbraw/zinc/79/56/08/673795608.db2.gz RISAANHBMCSARV-CQSZACIVSA-N 0 3 356.875 2.278 20 30 FEEDHN C[C@@]12CN(Cc3ccc(C#N)cc3C(F)(F)F)C[C@@]1(C)C(=O)NC2=O ZINC000602725296 673910345 /nfs/dbraw/zinc/91/03/45/673910345.db2.gz PBOYTZPWGSMJTK-HOTGVXAUSA-N 0 3 351.328 2.062 20 30 FEEDHN COc1ccc(CN(CCN2CCOCC2)[C@@H]2CCSC2)cc1C#N ZINC000602880207 673912463 /nfs/dbraw/zinc/91/24/63/673912463.db2.gz FORJCNUXVMDPTK-GOSISDBHSA-N 0 3 361.511 2.207 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000818584566 675226216 /nfs/dbraw/zinc/22/62/16/675226216.db2.gz OZRZXUXZNWNMKU-LBPRGKRZSA-N 0 3 371.250 2.427 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C ZINC000818592848 675226407 /nfs/dbraw/zinc/22/64/07/675226407.db2.gz BHFXYGBBTIASDZ-LJQANCHMSA-N 0 3 351.491 2.237 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000566660451 675232371 /nfs/dbraw/zinc/23/23/71/675232371.db2.gz HKQJIKQYLRGHGF-CJNGLKHVSA-N 0 3 361.833 2.182 20 30 FEEDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000566943510 675254564 /nfs/dbraw/zinc/25/45/64/675254564.db2.gz VCSVLBAONBOHHZ-AWEZNQCLSA-N 0 3 350.488 2.132 20 30 FEEDHN O=C(NCCNC[C@H](O)c1ccc(Cl)cc1Cl)C1N=CC=CC1=O ZINC000819049620 675255436 /nfs/dbraw/zinc/25/54/36/675255436.db2.gz MFOBWPLDLUPBTG-BSZDNMLHSA-N 0 3 370.236 2.143 20 30 FEEDHN N#Cc1cccc(OCCN2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC000603840857 675801436 /nfs/dbraw/zinc/80/14/36/675801436.db2.gz DMXBKDKOPJJFCI-UHFFFAOYSA-N 0 3 355.360 2.328 20 30 FEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)COC1(C)CNC1 ZINC000648049137 677310734 /nfs/dbraw/zinc/31/07/34/677310734.db2.gz TZNLAALMCHNCQC-UHFFFAOYSA-N 0 3 371.250 2.481 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCNc1cccc(Br)c1 ZINC000838623527 680706744 /nfs/dbraw/zinc/70/67/44/680706744.db2.gz GYYPNWKEYNCTPK-UHFFFAOYSA-N 0 3 367.291 2.115 20 30 FEEDHN C#C[C@H]1COCCN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000838902008 680726745 /nfs/dbraw/zinc/72/67/45/680726745.db2.gz WVXCFKZPLWKIMZ-SFHVURJKSA-N 0 3 359.495 2.144 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H](CC)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834761524 680264430 /nfs/dbraw/zinc/26/44/30/680264430.db2.gz RKPVGIJAYQCNEY-CABCVRRESA-N 0 3 360.520 2.355 20 30 FEEDHN C=C(Br)CNC1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000996794346 680341246 /nfs/dbraw/zinc/34/12/46/680341246.db2.gz IWDCXPSASNEHRC-ZBFHGGJFSA-N 0 3 357.292 2.435 20 30 FEEDHN COC(=O)CCCN1CCC(N=Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000754710636 680372426 /nfs/dbraw/zinc/37/24/26/680372426.db2.gz MBVBKKRDOOESBF-UHFFFAOYSA-N 0 3 359.352 2.312 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cc(Br)ccc1F ZINC000836215320 680436412 /nfs/dbraw/zinc/43/64/12/680436412.db2.gz ASNXTHGQCWENBF-UHFFFAOYSA-N 0 3 356.239 2.343 20 30 FEEDHN C=C(Br)CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001034740844 680439598 /nfs/dbraw/zinc/43/95/98/680439598.db2.gz UNJCKIIPZRKPJG-RYPNDVFKSA-N 0 3 357.292 2.480 20 30 FEEDHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043355419 680576791 /nfs/dbraw/zinc/57/67/91/680576791.db2.gz FDULTIOLAJQHJV-ZYHUDNBSSA-N 0 3 367.906 2.411 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043359017 680577459 /nfs/dbraw/zinc/57/74/59/680577459.db2.gz PXLHFABAJHQSCZ-OASPWFOLSA-N 0 3 367.906 2.267 20 30 FEEDHN COCC(=O)N(C)CC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000759213142 680635092 /nfs/dbraw/zinc/63/50/92/680635092.db2.gz GUYTVDKZPBQUGA-AWEZNQCLSA-N 0 3 357.435 2.400 20 30 FEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001045675393 680637733 /nfs/dbraw/zinc/63/77/33/680637733.db2.gz RXKWKZVAPCJYCL-FGTMMUONSA-N 0 3 358.507 2.472 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001047385422 680661999 /nfs/dbraw/zinc/66/19/99/680661999.db2.gz LPYXDTIJYYKPGV-XWSJACJDSA-N 0 3 350.503 2.051 20 30 FEEDHN C[C@@H](C[C@@H](O)c1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000843090248 680986981 /nfs/dbraw/zinc/98/69/81/680986981.db2.gz VPBBKWQNGDYQDY-HNAYVOBHSA-N 0 3 358.463 2.434 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)CC1 ZINC000932140829 681183204 /nfs/dbraw/zinc/18/32/04/681183204.db2.gz JZNUSEOHTPKRIH-CYBMUJFWSA-N 0 3 361.433 2.302 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC000949361870 681634405 /nfs/dbraw/zinc/63/44/05/681634405.db2.gz ITCUCOHJWHCFJF-QMTHXVAHSA-N 0 3 352.866 2.002 20 30 FEEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(Cl)n1 ZINC000780308705 681813345 /nfs/dbraw/zinc/81/33/45/681813345.db2.gz COWLQSRPMQJILU-NSHDSACASA-N 0 3 357.753 2.467 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000914267253 685501629 /nfs/dbraw/zinc/50/16/29/685501629.db2.gz HCDMMBQCSPRMCR-PKOBYXMFSA-N 0 3 361.511 2.421 20 30 FEEDHN CC(=O)N[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1cccs1 ZINC000916895233 685528527 /nfs/dbraw/zinc/52/85/27/685528527.db2.gz HKYMYYIJOGLYOX-GJZGRUSLSA-N 0 3 361.467 2.473 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000916947024 685528646 /nfs/dbraw/zinc/52/86/46/685528646.db2.gz RQIYREOTCVKEDQ-IINYFYTJSA-N 0 3 365.842 2.376 20 30 FEEDHN CC(=O)N1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000917074446 685529455 /nfs/dbraw/zinc/52/94/55/685529455.db2.gz ORWGBMGBHBBJHK-CQSZACIVSA-N 0 3 356.451 2.027 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CO)(C(F)(F)F)CC2)CC1 ZINC000917097810 685529598 /nfs/dbraw/zinc/52/95/98/685529598.db2.gz JTIVQBAAFDFMHI-UHFFFAOYSA-N 0 3 363.424 2.373 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCn3nc(C(F)(F)F)cc3C2)CC1 ZINC000917142034 685530015 /nfs/dbraw/zinc/53/00/15/685530015.db2.gz NOHXQPPWHAANAG-UHFFFAOYSA-N 0 3 357.380 2.078 20 30 FEEDHN CN1C[C@]2(C)CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000918352834 685538628 /nfs/dbraw/zinc/53/86/28/685538628.db2.gz WRKLGJWXVSPKEI-IYBDPMFKSA-N 0 3 353.875 2.174 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)CCn2cc(Cl)cn2)C1 ZINC000972520532 682419103 /nfs/dbraw/zinc/41/91/03/682419103.db2.gz CIVIQTJMHBJHPO-IKGGRYGDSA-N 0 3 366.893 2.050 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(C1)CN(CCC(C)C)CCO2 ZINC000972597990 682425887 /nfs/dbraw/zinc/42/58/87/682425887.db2.gz YEEVNTWFCPWEPR-BJLQDIEVSA-N 0 3 350.503 2.317 20 30 FEEDHN COC(=O)[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1C ZINC000787327238 682450882 /nfs/dbraw/zinc/45/08/82/682450882.db2.gz ZGMZTLBCYSHSFV-XQQFMLRXSA-N 0 3 357.435 2.356 20 30 FEEDHN CCOC(=O)[C@H]1[C@H](NCC2(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000788804978 682557884 /nfs/dbraw/zinc/55/78/84/682557884.db2.gz ZCNLSWWPWNCOHK-ZIAGYGMSSA-N 0 3 351.447 2.211 20 30 FEEDHN C=C(C)CS(=O)(=O)N1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856549795 682792608 /nfs/dbraw/zinc/79/26/08/682792608.db2.gz UZLRTVSFGHTWDV-GOSISDBHSA-N 0 3 367.515 2.281 20 30 FEEDHN N#CC(C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796891268 683204494 /nfs/dbraw/zinc/20/44/94/683204494.db2.gz FIGMELBPNGEGNN-AAEUAGOBSA-N 0 3 351.309 2.355 20 30 FEEDHN C[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000797097063 683222251 /nfs/dbraw/zinc/22/22/51/683222251.db2.gz UHFWMMIABPMMQQ-HOCLYGCPSA-N 0 3 351.472 2.054 20 30 FEEDHN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000860478686 683249122 /nfs/dbraw/zinc/24/91/22/683249122.db2.gz ZNRZAXGNRWLGTG-GXTWGEPZSA-N 0 3 351.447 2.400 20 30 FEEDHN C#CCN(C(=O)N[C@H]1CCOC2(CCSCC2)C1)C1CCN(C)CC1 ZINC000921555210 683500381 /nfs/dbraw/zinc/50/03/81/683500381.db2.gz DETWBDDTTUBNFU-INIZCTEOSA-N 0 3 365.543 2.170 20 30 FEEDHN C#CCCCS(=O)(=O)NCC1(N(C)Cc2ccccc2)CCOCC1 ZINC000921633743 683527135 /nfs/dbraw/zinc/52/71/35/683527135.db2.gz SBPAPZVPURBZGH-UHFFFAOYSA-N 0 3 364.511 2.000 20 30 FEEDHN C#CCN(C(=O)NC[C@@]1(C)OCCc2sccc21)C1CCN(C)CC1 ZINC000922530079 683741777 /nfs/dbraw/zinc/74/17/77/683741777.db2.gz BBIRBWDNAJDDSH-LJQANCHMSA-N 0 3 361.511 2.275 20 30 FEEDHN C#CCN(C(=O)NCc1ccc(Br)cn1)C1CCN(C)CC1 ZINC000923923195 684369802 /nfs/dbraw/zinc/36/98/02/684369802.db2.gz VKIMAWPGWOGQLB-UHFFFAOYSA-N 0 3 365.275 2.083 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCOC(F)(F)C(F)(F)F)CC1 ZINC000872880434 685028413 /nfs/dbraw/zinc/02/84/13/685028413.db2.gz FCNJRHBHMGHRJV-UHFFFAOYSA-N 0 3 359.339 2.498 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000876741288 686258580 /nfs/dbraw/zinc/25/85/80/686258580.db2.gz QCDBGVWNKYJSKY-HOTGVXAUSA-N 0 3 372.296 2.299 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000876778231 686267210 /nfs/dbraw/zinc/26/72/10/686267210.db2.gz ZMPFHHFBDZDAOO-KRWDZBQOSA-N 0 3 367.877 2.212 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000876873668 686285559 /nfs/dbraw/zinc/28/55/59/686285559.db2.gz NOMYLEFOPRELQT-KGLIPLIRSA-N 0 3 351.882 2.180 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000876963717 686301634 /nfs/dbraw/zinc/30/16/34/686301634.db2.gz UGDZDZKQPNVDHZ-ZBFHGGJFSA-N 0 3 350.846 2.479 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000877265758 686346225 /nfs/dbraw/zinc/34/62/25/686346225.db2.gz IVGOODGVSAQGES-HNNXBMFYSA-N 0 3 354.857 2.376 20 30 FEEDHN N#Cc1cnc(NC2CCN([C@H]3CCOC3)CC2)c(Br)c1 ZINC000882115204 687306418 /nfs/dbraw/zinc/30/64/18/687306418.db2.gz WTCIFLZGKYAEFL-ZDUSSCGKSA-N 0 3 351.248 2.381 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@@H](O)c1cc3ccccc3s1)C2 ZINC000884140254 687798833 /nfs/dbraw/zinc/79/88/33/687798833.db2.gz NZYPYDTWBSPWKE-UARSRXHTSA-N 0 3 355.463 2.190 20 30 FEEDHN N#CC1(C[C@H](O)CN2CCN(CCCOCC(F)(F)F)CC2)CCC1 ZINC000885964642 688187571 /nfs/dbraw/zinc/18/75/71/688187571.db2.gz DMCXZSQOHIXBED-HNNXBMFYSA-N 0 3 363.424 2.018 20 30 FEEDHN CCC1(N2CCC2)CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000886715963 688295151 /nfs/dbraw/zinc/29/51/51/688295151.db2.gz KNIQQPDNHHWLBF-UHFFFAOYSA-N 0 3 361.511 2.282 20 30 FEEDHN C=CCC1(O)CCN([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000886778605 688309390 /nfs/dbraw/zinc/30/93/90/688309390.db2.gz JNWGAJWXALOKPA-MAUKXSAKSA-N 0 3 354.491 2.150 20 30 FEEDHN CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000887965638 688527717 /nfs/dbraw/zinc/52/77/17/688527717.db2.gz KPXCWSMBEBCPDQ-SJORKVTESA-N 0 3 357.483 2.047 20 30 FEEDHN N#Cc1ccc(N2CCN(CCCOCC(F)(F)F)CC2)c(CO)c1 ZINC000891985260 689135727 /nfs/dbraw/zinc/13/57/27/689135727.db2.gz AHIUWRSSGMLNLT-UHFFFAOYSA-N 0 3 357.376 2.142 20 30 FEEDHN Cc1ccc(CN2CC[C@H](NC(=O)NCc3nc(C#N)cs3)C2)cc1 ZINC000896140897 689825753 /nfs/dbraw/zinc/82/57/53/689825753.db2.gz JISVBRNMPMSMPF-HNNXBMFYSA-N 0 3 355.467 2.397 20 30 FEEDHN CCOC(=O)C1([C@H](C)NCc2cc(C#N)cnc2Cl)CCOCC1 ZINC000897740973 690073321 /nfs/dbraw/zinc/07/33/21/690073321.db2.gz KGTOGNLTUHDGLX-LBPRGKRZSA-N 0 3 351.834 2.445 20 30 FEEDHN COC1(CNCCS(=O)(=O)c2ccc(C#N)cn2)CCCCCC1 ZINC000905699947 691164800 /nfs/dbraw/zinc/16/48/00/691164800.db2.gz OKRAMPGUFBVPIH-UHFFFAOYSA-N 0 3 351.472 2.056 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2coc(Sc3ncccn3)n2)CC1 ZINC000906592929 691289088 /nfs/dbraw/zinc/28/90/88/691289088.db2.gz QNOZJDSPHIJVDW-UHFFFAOYSA-N 0 3 359.455 2.386 20 30 FEEDHN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2NCCO[C@@H]2C1 ZINC001164390807 718821560 /nfs/dbraw/zinc/82/15/60/718821560.db2.gz RGWPPWKFWWBZQR-WDEREUQCSA-N 0 3 363.195 2.372 20 30 FEEDHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)cc(C)c1C#N)CC2 ZINC001164686273 719700257 /nfs/dbraw/zinc/70/02/57/719700257.db2.gz YRJYIDPNVYJROL-UHFFFAOYSA-N 0 3 361.877 2.096 20 30 FEEDHN N#Cc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164870873 721054962 /nfs/dbraw/zinc/05/49/62/721054962.db2.gz WZIHLMPZWWJYTI-JKSUJKDBSA-N 0 3 369.856 2.481 20 30 FEEDHN Cc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(C=NO)c1 ZINC001164877038 721122662 /nfs/dbraw/zinc/12/26/62/721122662.db2.gz OFEXVUDMUYUOPJ-OALUTQOASA-N 0 3 367.453 2.073 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@@H]3C2)cn1 ZINC001164773337 721180811 /nfs/dbraw/zinc/18/08/11/721180811.db2.gz WHTHXEVHRNFIEB-WBVHZDCISA-N 0 3 361.453 2.126 20 30 FEEDHN COc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1C#N ZINC001164897527 721510480 /nfs/dbraw/zinc/51/04/80/721510480.db2.gz FRHFPGRRXUPYGE-WMZOPIPTSA-N 0 3 368.412 2.443 20 30 FEEDHN COc1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164902676 721527184 /nfs/dbraw/zinc/52/71/84/721527184.db2.gz AYTRJPIUEHYCPQ-DOTOQJQBSA-N 0 3 368.412 2.443 20 30 FEEDHN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1C#N ZINC001164973152 722129460 /nfs/dbraw/zinc/12/94/60/722129460.db2.gz BARRXMNAXZPOGE-WOJBJXKFSA-N 0 3 363.465 2.384 20 30 FEEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000498758896 885703471 /nfs/dbraw/zinc/70/34/71/885703471.db2.gz GQJCZOBOXQYPBF-ZDUSSCGKSA-N 0 3 356.405 2.441 20 30 FEEDHN CO[C@H](C)c1nc(CN2CCCN(CCOCCC#N)CC2)cs1 ZINC000549470670 674043543 /nfs/dbraw/zinc/04/35/43/674043543.db2.gz DLXIDLFPXHATMP-OAHLLOKOSA-N 0 3 352.504 2.288 20 30 FEEDHN C=CCOc1ccc(C(=O)NC[C@H](C)N2CCN(CC)CC2)cc1OC ZINC000046947924 540278679 /nfs/dbraw/zinc/27/86/79/540278679.db2.gz SDDZFRIJIDMNBA-INIZCTEOSA-N 0 3 361.486 2.016 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCN1CCCC[C@H]1C ZINC000047144133 540292283 /nfs/dbraw/zinc/29/22/83/540292283.db2.gz WURHJDIFOGEYLB-CQSZACIVSA-N 0 3 368.485 2.141 20 30 FEEDHN CCCN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C#N)cc1 ZINC000047740031 540326413 /nfs/dbraw/zinc/32/64/13/540326413.db2.gz SKCNAOWEPAFDNZ-UHFFFAOYSA-N 0 3 373.478 2.497 20 30 FEEDHN CCN1CCN(CCCCNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000048132458 540346802 /nfs/dbraw/zinc/34/68/02/540346802.db2.gz VGXCABQYHACTAL-UHFFFAOYSA-N 0 3 374.554 2.325 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)CN3CCC[C@@H](C)C3)cc2C1=O ZINC000055402743 540651248 /nfs/dbraw/zinc/65/12/48/540651248.db2.gz DEIKHNQZDSXXNY-HUUCEWRRSA-N 0 3 369.465 2.319 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCNC(=O)C(C)(C)C ZINC000065930694 541272332 /nfs/dbraw/zinc/27/23/32/541272332.db2.gz VKZWLQHGXMWUBX-UHFFFAOYSA-N 0 3 358.486 2.001 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOCC(F)(F)F ZINC000065930642 541272474 /nfs/dbraw/zinc/27/24/74/541272474.db2.gz UKOYWRNTBPPBOI-UHFFFAOYSA-N 0 3 357.376 2.417 20 30 FEEDHN C=CCCO[C@H](C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000066313962 541300405 /nfs/dbraw/zinc/30/04/05/541300405.db2.gz UNXNJMHUZZJFCB-UYAOXDASSA-N 0 3 359.514 2.463 20 30 FEEDHN CCN1CCN(C(=O)CC2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000066568522 541337639 /nfs/dbraw/zinc/33/76/39/541337639.db2.gz SFNZWGCWJTXSKH-UHFFFAOYSA-N 0 3 354.498 2.324 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000067143916 541424214 /nfs/dbraw/zinc/42/42/14/541424214.db2.gz MGCBYNWKKXUSCV-UHFFFAOYSA-N 0 3 365.433 2.493 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(NC(=O)OCCOC)c2)CC1 ZINC000067860471 541521756 /nfs/dbraw/zinc/52/17/56/541521756.db2.gz FYIHBTDNECWUTF-UHFFFAOYSA-N 0 3 359.426 2.165 20 30 FEEDHN C=CC[C@H]1N(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCCC1(C)C ZINC000550838870 674113988 /nfs/dbraw/zinc/11/39/88/674113988.db2.gz MDLZQBZBQQCGST-BEFAXECRSA-N 0 3 367.559 2.133 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCSCC[C@H]1C)C(C)C ZINC000551221448 674132531 /nfs/dbraw/zinc/13/25/31/674132531.db2.gz IUJDSAPFHGMYOL-IAGOWNOFSA-N 0 3 367.559 2.155 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000074458222 542086305 /nfs/dbraw/zinc/08/63/05/542086305.db2.gz ZKCNHUBVMZCEKM-HNNXBMFYSA-N 0 3 351.468 2.420 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000074656845 542108213 /nfs/dbraw/zinc/10/82/13/542108213.db2.gz DPPMISNZQZHMED-IBGZPJMESA-N 0 3 358.530 2.310 20 30 FEEDHN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCN(c2ccccn2)CC1 ZINC000076108501 542234206 /nfs/dbraw/zinc/23/42/06/542234206.db2.gz FPBXCIUTGZLCEX-NRFANRHFSA-N 0 3 369.513 2.428 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1nc(-c2cccs2)oc1C ZINC000076218264 542245975 /nfs/dbraw/zinc/24/59/75/542245975.db2.gz BQCOSMZPGFQFAN-LLVKDONJSA-N 0 3 354.453 2.317 20 30 FEEDHN COc1cc(C[NH2+]C2CCN(CC#N)CC2)cc(Br)c1[O-] ZINC000080201283 542574836 /nfs/dbraw/zinc/57/48/36/542574836.db2.gz WKQVIWRATSTWSQ-UHFFFAOYSA-N 0 3 354.248 2.241 20 30 FEEDHN COc1cc(CNC(=O)C#Cc2ccccc2)ccc1OCCN(C)C ZINC000081626362 542670013 /nfs/dbraw/zinc/67/00/13/542670013.db2.gz PIBOZACMUGEZDG-UHFFFAOYSA-N 0 3 352.434 2.304 20 30 FEEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(c2nc[nH]n2)CC1 ZINC000083424461 542697510 /nfs/dbraw/zinc/69/75/10/542697510.db2.gz KPIJBVUVWLUMMG-HNNXBMFYSA-N 0 3 352.442 2.319 20 30 FEEDHN C#CCN1CCC(C(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC1 ZINC000092517364 542867365 /nfs/dbraw/zinc/86/73/65/542867365.db2.gz CSGYDYNFUBGUER-UHFFFAOYSA-N 0 3 368.525 2.492 20 30 FEEDHN CNC(=O)[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093360548 542928793 /nfs/dbraw/zinc/92/87/93/542928793.db2.gz KPZHKEXOZYOUOC-KRWDZBQOSA-N 0 3 351.454 2.422 20 30 FEEDHN CNC(=O)[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093360547 542928861 /nfs/dbraw/zinc/92/88/61/542928861.db2.gz KPZHKEXOZYOUOC-QGZVFWFLSA-N 0 3 351.454 2.422 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103474863 543109324 /nfs/dbraw/zinc/10/93/24/543109324.db2.gz UBZQZDKZZIXHMY-OAHLLOKOSA-N 0 3 369.469 2.341 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CSc2nnnn2C2CCCC2)CC1 ZINC000106037104 543186349 /nfs/dbraw/zinc/18/63/49/543186349.db2.gz HHYPGJUNRLWZRQ-UHFFFAOYSA-N 0 3 364.519 2.037 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000106349254 543224681 /nfs/dbraw/zinc/22/46/81/543224681.db2.gz QAOCLCLWTMZYJE-UHFFFAOYSA-N 0 3 367.396 2.383 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3ncccc3c2)CC1 ZINC000106349328 543224745 /nfs/dbraw/zinc/22/47/45/543224745.db2.gz HAHLGQBARAAGJJ-UHFFFAOYSA-N 0 3 352.438 2.330 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(N(CC)CC)nc2)CC1 ZINC000106349135 543224780 /nfs/dbraw/zinc/22/47/80/543224780.db2.gz KJICDURIEMWLJC-UHFFFAOYSA-N 0 3 373.501 2.023 20 30 FEEDHN CC(C)N(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H](C)O ZINC000107041970 543260136 /nfs/dbraw/zinc/26/01/36/543260136.db2.gz CKRHKAIIDZWFNI-AWEZNQCLSA-N 0 3 356.388 2.264 20 30 FEEDHN CCN1CCC(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000108604841 543297444 /nfs/dbraw/zinc/29/74/44/543297444.db2.gz SURDMRRPMBYGIE-AWEZNQCLSA-N 0 3 374.510 2.477 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)C(C)C ZINC000112919826 543468403 /nfs/dbraw/zinc/46/84/03/543468403.db2.gz FXHZSQMVPNNUFM-LJQANCHMSA-N 0 3 368.481 2.211 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCN(c3cccc(OC)c3)C2)CC1 ZINC000117180216 543624801 /nfs/dbraw/zinc/62/48/01/543624801.db2.gz JHTDMLIDFRNJSN-GOSISDBHSA-N 0 3 355.482 2.125 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@](C)(O)c2ccccc2Cl)CC1 ZINC000124463168 543823701 /nfs/dbraw/zinc/82/37/01/543823701.db2.gz XGKPKILNYHBTHZ-SFHVURJKSA-N 0 3 351.878 2.497 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)N(CC)CC3)CC1 ZINC000124539961 543828287 /nfs/dbraw/zinc/82/82/87/543828287.db2.gz OGXCMZJDSSWGLS-UHFFFAOYSA-N 0 3 370.497 2.164 20 30 FEEDHN CCN(CC)CC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000125083540 543859782 /nfs/dbraw/zinc/85/97/82/543859782.db2.gz BTAUNPVVKQZIGP-UHFFFAOYSA-N 0 3 368.485 2.025 20 30 FEEDHN C=CCC[C@H](CC)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127804022 544014949 /nfs/dbraw/zinc/01/49/49/544014949.db2.gz YGYZJIBYUKAXSK-SFHVURJKSA-N 0 3 365.543 2.457 20 30 FEEDHN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000128335538 544047153 /nfs/dbraw/zinc/04/71/53/544047153.db2.gz NQONKFGGQKBBNH-MRXNPFEDSA-N 0 3 374.510 2.025 20 30 FEEDHN N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CCCc4[nH]ncc43)CC2)cc1 ZINC000132569012 544236231 /nfs/dbraw/zinc/23/62/31/544236231.db2.gz XBNXDZYRMGUUDO-SFHVURJKSA-N 0 3 363.465 2.436 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)N(CCC#N)CC2CC2)c(OCCN(C)C)c1 ZINC000132621060 544238484 /nfs/dbraw/zinc/23/84/84/544238484.db2.gz KQUVFDKRISFMTE-UHFFFAOYSA-N 0 3 372.469 2.026 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000133283287 544263221 /nfs/dbraw/zinc/26/32/21/544263221.db2.gz GTKJYGGXNSGIHV-CABCVRRESA-N 0 3 360.845 2.235 20 30 FEEDHN C#CCN1CCC(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000138287672 544395185 /nfs/dbraw/zinc/39/51/85/544395185.db2.gz XMJFHLJYWCMGRD-UHFFFAOYSA-N 0 3 368.481 2.144 20 30 FEEDHN C#CCN1CCC(C(=O)NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000145670160 544436221 /nfs/dbraw/zinc/43/62/21/544436221.db2.gz KQIHWUMQDHGKTC-UHFFFAOYSA-N 0 3 359.539 2.422 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000151097225 544504764 /nfs/dbraw/zinc/50/47/64/544504764.db2.gz QPIHPZBXMORLIS-ZDUSSCGKSA-N 0 3 353.463 2.486 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000152168233 544620964 /nfs/dbraw/zinc/62/09/64/544620964.db2.gz AFRBAQNFTICGJY-WTANOLMUSA-N 0 3 358.490 2.304 20 30 FEEDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000152833116 544700852 /nfs/dbraw/zinc/70/08/52/544700852.db2.gz IEUQHMUHGYWBMF-FQEVSTJZSA-N 0 3 352.438 2.344 20 30 FEEDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1OC)N(C)C ZINC000188209259 328073576 /nfs/dbraw/zinc/07/35/76/328073576.db2.gz HXKFYPFGSZTIQS-HNNXBMFYSA-N 0 3 353.488 2.212 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000191254853 328256679 /nfs/dbraw/zinc/25/66/79/328256679.db2.gz QRKMUKZQWJZNCZ-KBXCAEBGSA-N 0 3 350.422 2.304 20 30 FEEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000012900123 324373321 /nfs/dbraw/zinc/37/33/21/324373321.db2.gz NHDJXRCRIOPCQH-BEFAXECRSA-N 0 3 363.421 2.229 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000016102391 324384967 /nfs/dbraw/zinc/38/49/67/324384967.db2.gz LIFRGCIHFNLHQA-UHFFFAOYSA-N 0 3 366.465 2.174 20 30 FEEDHN N#Cc1ccccc1N1CCCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000045410062 324577322 /nfs/dbraw/zinc/57/73/22/324577322.db2.gz JZGHZQBWAPHPHG-UHFFFAOYSA-N 0 3 367.497 2.407 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000057677627 324830135 /nfs/dbraw/zinc/83/01/35/324830135.db2.gz DCHSJRJEJMOOMZ-OFQRWUPVSA-N 0 3 356.470 2.288 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000088771281 325300832 /nfs/dbraw/zinc/30/08/32/325300832.db2.gz FUGRKASNJJSLIM-CHWSQXEVSA-N 0 3 362.861 2.387 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000101693185 325478088 /nfs/dbraw/zinc/47/80/88/325478088.db2.gz PWNYOYUKGPIORJ-UHFFFAOYSA-N 0 3 372.513 2.375 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)ccc1F ZINC000107874169 325636655 /nfs/dbraw/zinc/63/66/55/325636655.db2.gz RHGDIISEDJUVAF-INIZCTEOSA-N 0 3 358.417 2.113 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000120467301 326261027 /nfs/dbraw/zinc/26/10/27/326261027.db2.gz CJNVIBSBVHAUNR-HOCLYGCPSA-N 0 3 372.469 2.225 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000125566857 326473998 /nfs/dbraw/zinc/47/39/98/326473998.db2.gz JZFOCRZIKAAMNR-UHFFFAOYSA-N 0 3 364.449 2.396 20 30 FEEDHN COCCN1CCC(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000141346023 326664807 /nfs/dbraw/zinc/66/48/07/326664807.db2.gz BQCWSJJMKPHQSO-LJQANCHMSA-N 0 3 359.470 2.189 20 30 FEEDHN N#Cc1cccc(OCCCN2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000156295005 326825392 /nfs/dbraw/zinc/82/53/92/326825392.db2.gz HLTQJEIMSKNWFE-UHFFFAOYSA-N 0 3 371.481 2.334 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)CNc2cccc(C#N)c2)c1 ZINC000157769034 326874749 /nfs/dbraw/zinc/87/47/49/326874749.db2.gz CTUWCMAOKHOZMI-UHFFFAOYSA-N 0 3 352.438 2.227 20 30 FEEDHN C[C@@H]1CN(CC2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000170780156 327098740 /nfs/dbraw/zinc/09/87/40/327098740.db2.gz AVLWJPBVRRTTBF-IAGOWNOFSA-N 0 3 370.497 2.318 20 30 FEEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000174039556 327302839 /nfs/dbraw/zinc/30/28/39/327302839.db2.gz BTNXZVQCORBSFC-KRWDZBQOSA-N 0 3 370.478 2.096 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)c1C#N ZINC000174851570 327355445 /nfs/dbraw/zinc/35/54/45/327355445.db2.gz MIAVXNIQCJSPKZ-INIZCTEOSA-N 0 3 354.454 2.282 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000174886818 327358491 /nfs/dbraw/zinc/35/84/91/327358491.db2.gz SYKMRPYZEMRAKU-LJQANCHMSA-N 0 3 372.513 2.048 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c1C#N ZINC000174953792 327363489 /nfs/dbraw/zinc/36/34/89/327363489.db2.gz OXMPAXOHRLPCKI-UHFFFAOYSA-N 0 3 354.454 2.282 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)ccc1Cl ZINC000264479686 329027661 /nfs/dbraw/zinc/02/76/61/329027661.db2.gz NCBOMHAKGCMORA-HNNXBMFYSA-N 0 3 360.845 2.237 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000264729170 329054093 /nfs/dbraw/zinc/05/40/93/329054093.db2.gz QBJYUTYNLADFFU-QGZVFWFLSA-N 0 3 368.485 2.141 20 30 FEEDHN CN1CCN(C)[C@@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000264769134 329058509 /nfs/dbraw/zinc/05/85/09/329058509.db2.gz QPAHRZBHMQMUBI-NRFANRHFSA-N 0 3 364.493 2.473 20 30 FEEDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1N(C)C ZINC000270659669 329619552 /nfs/dbraw/zinc/61/95/52/329619552.db2.gz OJQXQXVMESMHTE-KCPJHIHWSA-N 0 3 350.488 2.073 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1N1CCCC1 ZINC000274147437 329920140 /nfs/dbraw/zinc/92/01/40/329920140.db2.gz XWVHLENJDBHVTD-CVEARBPZSA-N 0 3 362.499 2.218 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156419796 545626026 /nfs/dbraw/zinc/62/60/26/545626026.db2.gz YCAVZBUUPXQEET-RDJZCZTQSA-N 0 3 363.527 2.451 20 30 FEEDHN CCc1cccc(NC(=[NH2+])NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000160490963 546045248 /nfs/dbraw/zinc/04/52/48/546045248.db2.gz MKIHECCQTWEGRQ-UHFFFAOYSA-N 0 3 352.485 2.016 20 30 FEEDHN CN(CC1CCN(c2ccncc2)CC1)S(=O)(=O)CCCCC#N ZINC000165923857 546155108 /nfs/dbraw/zinc/15/51/08/546155108.db2.gz SEGMGKYRGDPYHQ-UHFFFAOYSA-N 0 3 350.488 2.253 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000171640286 546217114 /nfs/dbraw/zinc/21/71/14/546217114.db2.gz YPUPPFBTAOPOST-UHFFFAOYSA-N 0 3 373.425 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000171704563 546219245 /nfs/dbraw/zinc/21/92/45/546219245.db2.gz ADOCYBHJBBWRTC-HXUWFJFHSA-N 0 3 372.513 2.010 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccccc2OCC)CC1 ZINC000171715024 546220453 /nfs/dbraw/zinc/22/04/53/546220453.db2.gz AZPJWCBAWSLMPK-LJQANCHMSA-N 0 3 373.497 2.419 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)N2CCc3sccc3C2)CC1 ZINC000171715833 546220918 /nfs/dbraw/zinc/22/09/18/546220918.db2.gz OCPFNCNCEXXBMI-OAHLLOKOSA-N 0 3 362.543 2.444 20 30 FEEDHN CN1CCN(CCCNC(=O)NCCCCC#N)[C@H](c2ccccc2)C1 ZINC000171740279 546223277 /nfs/dbraw/zinc/22/32/77/546223277.db2.gz XHBSHPIUZJVCGA-IBGZPJMESA-N 0 3 357.502 2.358 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000171740428 546223503 /nfs/dbraw/zinc/22/35/03/546223503.db2.gz YAVCVXPIPMBRRT-UHFFFAOYSA-N 0 3 366.506 2.289 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000172020262 546233699 /nfs/dbraw/zinc/23/36/99/546233699.db2.gz JXOWAXYRPQFJGN-UHFFFAOYSA-N 0 3 367.291 2.290 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000172185628 546239817 /nfs/dbraw/zinc/23/98/17/546239817.db2.gz HZAKJTRVEFINOP-IBGZPJMESA-N 0 3 361.486 2.457 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN([C@H](C)c3cccnc3)CC2)CC1 ZINC000172229880 546241781 /nfs/dbraw/zinc/24/17/81/546241781.db2.gz FGZCUYRSRXRBEB-QGZVFWFLSA-N 0 3 357.502 2.120 20 30 FEEDHN CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000173223547 546275577 /nfs/dbraw/zinc/27/55/77/546275577.db2.gz ZPJYPYQJIWYJKD-SJORKVTESA-N 0 3 354.454 2.121 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccc(N3CCCNC3=O)c2)CC1 ZINC000174179953 546292741 /nfs/dbraw/zinc/29/27/41/546292741.db2.gz BFDWGSPIGSNECV-UHFFFAOYSA-N 0 3 357.458 2.378 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000480305513 561206798 /nfs/dbraw/zinc/20/67/98/561206798.db2.gz FCQWXZWYCQUUIZ-OAHLLOKOSA-N 0 3 351.468 2.184 20 30 FEEDHN CC(C)(C)N1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000481033939 561223504 /nfs/dbraw/zinc/22/35/04/561223504.db2.gz IDSFGOVGSSEJFB-UHFFFAOYSA-N 0 3 353.463 2.380 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000177994711 546719558 /nfs/dbraw/zinc/71/95/58/546719558.db2.gz RXWMOELMTRDQIR-OAHLLOKOSA-N 0 3 354.458 2.278 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc2nccn12 ZINC000481465144 561233374 /nfs/dbraw/zinc/23/33/74/561233374.db2.gz LSIVSNQBVMKKSE-UHFFFAOYSA-N 0 3 367.478 2.400 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179760813 547009638 /nfs/dbraw/zinc/00/96/38/547009638.db2.gz JVPZXSKSRUBEPP-HXUWFJFHSA-N 0 3 368.437 2.154 20 30 FEEDHN Cn1cc(CN2CCC[C@@H](CCC(N)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180011033 547038746 /nfs/dbraw/zinc/03/87/46/547038746.db2.gz YWRBNOLISLBHOU-INIZCTEOSA-N 0 3 351.454 2.436 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000180083908 547049102 /nfs/dbraw/zinc/04/91/02/547049102.db2.gz COCFNXGDGROFEA-UHFFFAOYSA-N 0 3 357.788 2.323 20 30 FEEDHN C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(-n2cccn2)cc1 ZINC000180852867 547194983 /nfs/dbraw/zinc/19/49/83/547194983.db2.gz CXCPOXQUDJMYRK-MRXNPFEDSA-N 0 3 350.426 2.179 20 30 FEEDHN N#CC1(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)CCOCC1 ZINC000180882404 547201023 /nfs/dbraw/zinc/20/10/23/547201023.db2.gz YPOWXOJNHUSUNV-UHFFFAOYSA-N 0 3 371.481 2.140 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(CC3CC3)CC3CCC3)CC2)o1 ZINC000483267563 561272220 /nfs/dbraw/zinc/27/22/20/561272220.db2.gz XSRZIGQMACLSHK-UHFFFAOYSA-N 0 3 371.485 2.015 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)N(C)C ZINC000181661182 547355665 /nfs/dbraw/zinc/35/56/65/547355665.db2.gz URFUJJMEVJWBFH-GJZGRUSLSA-N 0 3 360.458 2.008 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](N[C@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000182011456 547421590 /nfs/dbraw/zinc/42/15/90/547421590.db2.gz SDGQXUKESFJOOO-RTBURBONSA-N 0 3 368.481 2.468 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnc([C@H](C)CC)nc2)CC1 ZINC000483876284 561285443 /nfs/dbraw/zinc/28/54/43/561285443.db2.gz ACMOBYDCYYPOIR-CQSZACIVSA-N 0 3 359.474 2.085 20 30 FEEDHN Cc1nnc(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)c(C#N)c1C ZINC000182712589 547539342 /nfs/dbraw/zinc/53/93/42/547539342.db2.gz LVTRZXSXJFMMFJ-KRWDZBQOSA-N 0 3 369.494 2.476 20 30 FEEDHN COCC1(C#N)CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000484297406 561295774 /nfs/dbraw/zinc/29/57/74/561295774.db2.gz QGNQIYXVUVWCPT-SFHVURJKSA-N 0 3 358.486 2.121 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](Cc2ccccc2)C2CC2)CC1 ZINC000183402789 547651380 /nfs/dbraw/zinc/65/13/80/547651380.db2.gz CEHWCPSUTSTLKD-RTWAWAEBSA-N 0 3 368.525 2.290 20 30 FEEDHN COCCCN(C(=O)c1c(F)cc(C#N)cc1F)C1CCN(C)CC1 ZINC000484858806 561307131 /nfs/dbraw/zinc/30/71/31/561307131.db2.gz GDPRDBMZPZAQPO-UHFFFAOYSA-N 0 3 351.397 2.409 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2nc3cc(OC)ccc3n2C)CC1 ZINC000185685844 548020309 /nfs/dbraw/zinc/02/03/09/548020309.db2.gz PPPOUHYAHQWNPZ-UHFFFAOYSA-N 0 3 371.485 2.422 20 30 FEEDHN C=CC[C@H](CO)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000185785754 548035962 /nfs/dbraw/zinc/03/59/62/548035962.db2.gz GBFOIELMAAWQBU-WBVHZDCISA-N 0 3 356.388 2.494 20 30 FEEDHN C=CCc1cc(CN[C@H]2CCOC[C@@H]2OCCOC)cc(OC)c1O ZINC000485724323 561326665 /nfs/dbraw/zinc/32/66/65/561326665.db2.gz JPLLNVOAWKBBBX-WMZOPIPTSA-N 0 3 351.443 2.039 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(Cn2cncn2)CC1 ZINC000186255359 548108077 /nfs/dbraw/zinc/10/80/77/548108077.db2.gz BXSGHUFZZPEDRE-IBGZPJMESA-N 0 3 356.470 2.159 20 30 FEEDHN C=CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000186634897 548163378 /nfs/dbraw/zinc/16/33/78/548163378.db2.gz GCDFETAMMBYGRK-OALUTQOASA-N 0 3 355.482 2.111 20 30 FEEDHN N#CC(C(=O)c1ccc(N2CCCC2)nc1)c1nnc2n1CCCCC2 ZINC000187226744 548253465 /nfs/dbraw/zinc/25/34/65/548253465.db2.gz KLOYDVHZOVREPO-OAHLLOKOSA-N 0 3 350.426 2.490 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)CC1 ZINC000191722785 548350229 /nfs/dbraw/zinc/35/02/29/548350229.db2.gz RVWSALYTTGQSBQ-UHFFFAOYSA-N 0 3 371.872 2.191 20 30 FEEDHN COc1cc([C@@H](C#N)NC(=O)C2CCN(C3CC3)CC2)cc(OC)c1OC ZINC000486448319 561347347 /nfs/dbraw/zinc/34/73/47/561347347.db2.gz GPPROJMWLOSPOY-MRXNPFEDSA-N 0 3 373.453 2.268 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(OC)c2)CC1 ZINC000192893926 548374974 /nfs/dbraw/zinc/37/49/74/548374974.db2.gz CDCOZBVVDBAOMW-UHFFFAOYSA-N 0 3 365.861 2.444 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000193615749 548391368 /nfs/dbraw/zinc/39/13/68/548391368.db2.gz MRUMISCAHKDGCH-LJQANCHMSA-N 0 3 351.491 2.258 20 30 FEEDHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000245882570 549008449 /nfs/dbraw/zinc/00/84/49/549008449.db2.gz NXSJCTAZJPIYRJ-BRWVUGGUSA-N 0 3 360.527 2.435 20 30 FEEDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000246097181 549050895 /nfs/dbraw/zinc/05/08/95/549050895.db2.gz LLGSXRYSKJGCON-STQMWFEESA-N 0 3 353.875 2.459 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccnc2ccnn21)C(C)C ZINC000488275281 561387303 /nfs/dbraw/zinc/38/73/03/561387303.db2.gz YBSDNIWZUDJQOE-KRWDZBQOSA-N 0 3 356.474 2.227 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000488468630 561390293 /nfs/dbraw/zinc/39/02/93/561390293.db2.gz LIYWKJHUBPHMIQ-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN COc1cccc(C[C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000488480705 561390489 /nfs/dbraw/zinc/39/04/89/561390489.db2.gz FIMMNBYHUYEEKU-BEFAXECRSA-N 0 3 364.449 2.284 20 30 FEEDHN C=C(C)COCCNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000246633139 549179148 /nfs/dbraw/zinc/17/91/48/549179148.db2.gz XMKBRHSELJKCOJ-FQEVSTJZSA-N 0 3 374.529 2.257 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)CC1 ZINC000246778028 549210222 /nfs/dbraw/zinc/21/02/22/549210222.db2.gz ZDVGKTDBIKUXOB-HOZJOUCCSA-N 0 3 355.548 2.406 20 30 FEEDHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489128079 561404053 /nfs/dbraw/zinc/40/40/53/561404053.db2.gz XFCQUULXDHRUCH-ZIAGYGMSSA-N 0 3 353.463 2.344 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000249092625 549549414 /nfs/dbraw/zinc/54/94/14/549549414.db2.gz SWXZTGPKMGYMDO-CQDKDKBSSA-N 0 3 351.834 2.160 20 30 FEEDHN [NH2+]=C(NCCCNC(=O)c1cccc([O-])c1)Nc1ccc2c(c1)CCC2 ZINC000264316288 549994004 /nfs/dbraw/zinc/99/40/04/549994004.db2.gz WDGBDYUIBADBLU-UHFFFAOYSA-N 0 3 352.438 2.428 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000264374952 549995192 /nfs/dbraw/zinc/99/51/92/549995192.db2.gz HHKKKZRWSUQDOM-UHFFFAOYSA-N 0 3 364.877 2.019 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(CCOC)C2)cc1OC ZINC000264562808 549997778 /nfs/dbraw/zinc/99/77/78/549997778.db2.gz RCVPARGBJIHIFF-DBWMJRBXSA-N 0 3 360.454 2.110 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)c1nnc2n1CCC2)C(C)C ZINC000264534295 549997795 /nfs/dbraw/zinc/99/77/95/549997795.db2.gz LUCVBYHZNZLRBX-HOTGVXAUSA-N 0 3 360.506 2.283 20 30 FEEDHN C=CCN(CC=C)C(=O)CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264938894 550004464 /nfs/dbraw/zinc/00/44/64/550004464.db2.gz HLGWJFMMQKRLDJ-UHFFFAOYSA-N 0 3 355.482 2.424 20 30 FEEDHN CN1CCC(NC(=O)Nc2ccc(NC(=O)CSCC#N)cc2)CC1 ZINC000265520201 550010519 /nfs/dbraw/zinc/01/05/19/550010519.db2.gz ORDLDQHJIPFWHJ-UHFFFAOYSA-N 0 3 361.471 2.098 20 30 FEEDHN C#CCOc1ccccc1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000266998715 550026667 /nfs/dbraw/zinc/02/66/67/550026667.db2.gz CEKFNRUFXDSMSH-UHFFFAOYSA-N 0 3 373.497 2.387 20 30 FEEDHN CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC000267106444 550027691 /nfs/dbraw/zinc/02/76/91/550027691.db2.gz PXEHVIGKFNFVHT-HNNXBMFYSA-N 0 3 354.454 2.460 20 30 FEEDHN Cn1ccnc1[C@@](O)(CCNCc1ccc(C#N)cc1F)C(F)(F)F ZINC000269388324 550189713 /nfs/dbraw/zinc/18/97/13/550189713.db2.gz BOFKVDDCYCYHET-HNNXBMFYSA-N 0 3 356.323 2.361 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000269724530 550220272 /nfs/dbraw/zinc/22/02/72/550220272.db2.gz RAAACDFOAGALPS-UHFFFAOYSA-N 0 3 363.465 2.204 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H]2CCC[C@@]2(C)CO)cc1 ZINC000493650094 561457364 /nfs/dbraw/zinc/45/73/64/561457364.db2.gz AYXGGEDUJNBTGU-ICSRJNTNSA-N 0 3 359.470 2.473 20 30 FEEDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000494207097 561464579 /nfs/dbraw/zinc/46/45/79/561464579.db2.gz BAQGDFBKZMNLOD-SUMWQHHRSA-N 0 3 354.372 2.330 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@]1(C)CCO[C@@H]1C ZINC000494256356 561465827 /nfs/dbraw/zinc/46/58/27/561465827.db2.gz IPQUWONZBGINPJ-BEFAXECRSA-N 0 3 362.474 2.109 20 30 FEEDHN Cc1cc(NC(=O)NCc2ccccc2OCCN(C)C)nn1CCC#N ZINC000272133038 550424807 /nfs/dbraw/zinc/42/48/07/550424807.db2.gz VEEUPIPPAPLTGK-UHFFFAOYSA-N 0 3 370.457 2.367 20 30 FEEDHN CC(C)(O)C(C)(C)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000272623359 550461278 /nfs/dbraw/zinc/46/12/78/550461278.db2.gz VCXYIZSGOSOYQK-UHFFFAOYSA-N 0 3 356.388 2.312 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000272797226 550471342 /nfs/dbraw/zinc/47/13/42/550471342.db2.gz AVCJROIXMNZPLX-OAHLLOKOSA-N 0 3 358.301 2.497 20 30 FEEDHN C=CCCOCCNC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000272931501 550477084 /nfs/dbraw/zinc/47/70/84/550477084.db2.gz CHNJKGNPYLDVQL-LJQANCHMSA-N 0 3 361.486 2.035 20 30 FEEDHN C=CCNc1ncc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)s1 ZINC000275112253 550570629 /nfs/dbraw/zinc/57/06/29/550570629.db2.gz LQXGQLSQIXBFOF-GXTWGEPZSA-N 0 3 352.529 2.393 20 30 FEEDHN C=CCCN(C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000276082036 550576483 /nfs/dbraw/zinc/57/64/83/550576483.db2.gz BAWSXWLIZIDAKY-UHFFFAOYSA-N 0 3 357.498 2.234 20 30 FEEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N ZINC000276980553 550617766 /nfs/dbraw/zinc/61/77/66/550617766.db2.gz GYGOFTIOQTVHKV-QGZVFWFLSA-N 0 3 370.478 2.096 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CC1 ZINC000278386555 550779924 /nfs/dbraw/zinc/77/99/24/550779924.db2.gz DJUPLKJGBFQANH-AWEZNQCLSA-N 0 3 369.473 2.186 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H]1N(C)C ZINC000279408215 550886904 /nfs/dbraw/zinc/88/69/04/550886904.db2.gz IOTBLPNQVAJINA-NVXWUHKLSA-N 0 3 356.451 2.331 20 30 FEEDHN C[C@H]1CN(CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCCO1 ZINC000280006698 550951842 /nfs/dbraw/zinc/95/18/42/550951842.db2.gz CCZGINBMOIKFBI-HNNXBMFYSA-N 0 3 368.437 2.444 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@@H]1N1CCCC1 ZINC000280208211 550971530 /nfs/dbraw/zinc/97/15/30/550971530.db2.gz FTNMYUVZUKCVKT-CEXWTWQISA-N 0 3 368.506 2.279 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](OCc3ccccn3)C2)cc1 ZINC000280492279 550999730 /nfs/dbraw/zinc/99/97/30/550999730.db2.gz VSLVUMOTGLTRTK-UYAOXDASSA-N 0 3 360.417 2.453 20 30 FEEDHN Cc1cc(N2CCC(NC(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000281197284 551072828 /nfs/dbraw/zinc/07/28/28/551072828.db2.gz LWKWAFHGAIKOBQ-KRWDZBQOSA-N 0 3 362.437 2.057 20 30 FEEDHN COc1cc(CNCc2ccc(N3CCCS3(=O)=O)cc2)ccc1C#N ZINC000281562319 551113853 /nfs/dbraw/zinc/11/38/53/551113853.db2.gz BYJWMUDFOFCJSR-UHFFFAOYSA-N 0 3 371.462 2.397 20 30 FEEDHN COc1cc(CNC[C@@H](O)CN2CCc3ccccc3C2)ccc1C#N ZINC000281790032 551143580 /nfs/dbraw/zinc/14/35/80/551143580.db2.gz UJKSBSVCQBMIGM-HXUWFJFHSA-N 0 3 351.450 2.076 20 30 FEEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCNC1=O ZINC000282278598 551205381 /nfs/dbraw/zinc/20/53/81/551205381.db2.gz IBRUPAMQDLUFGP-CQSZACIVSA-N 0 3 360.483 2.038 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CCC(=O)Nc2ccc(C#N)cc2)O1 ZINC000282365757 551218157 /nfs/dbraw/zinc/21/81/57/551218157.db2.gz DOKSQKNTHITYQR-PILAGYSTSA-N 0 3 371.437 2.070 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c(F)c1 ZINC000283069526 551306774 /nfs/dbraw/zinc/30/67/74/551306774.db2.gz XIJOLTXWPURYRQ-STQMWFEESA-N 0 3 363.408 2.121 20 30 FEEDHN C=CCN1CC[C@@H](ON=C(N)c2cccc(CN3CCCCC3)c2)C1=O ZINC000283581670 551391564 /nfs/dbraw/zinc/39/15/64/551391564.db2.gz RFIPSPCFGLKMJD-GOSISDBHSA-N 0 3 356.470 2.096 20 30 FEEDHN CN1CC[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000283650441 551403275 /nfs/dbraw/zinc/40/32/75/551403275.db2.gz BDRSFFSLBMTWDL-UHOSZYNNSA-N 0 3 362.424 2.108 20 30 FEEDHN CN1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 ZINC000283992918 551464071 /nfs/dbraw/zinc/46/40/71/551464071.db2.gz DECKJOXSNPWHJV-SFTDATJTSA-N 0 3 365.477 2.157 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)NCCCCOC(C)C)C(C)C ZINC000284055012 551475375 /nfs/dbraw/zinc/47/53/75/551475375.db2.gz MYIXXGFCBZNTPE-SFHVURJKSA-N 0 3 367.534 2.123 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000498190972 561517986 /nfs/dbraw/zinc/51/79/86/561517986.db2.gz SCLRHQJEZWKFKR-ZYSHUDEJSA-N 0 3 368.481 2.068 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cccc(OCCCC)c2)CC1 ZINC000284342368 551527955 /nfs/dbraw/zinc/52/79/55/551527955.db2.gz XIIXWXUQVRIXHM-UHFFFAOYSA-N 0 3 373.497 2.248 20 30 FEEDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000498368749 561523584 /nfs/dbraw/zinc/52/35/84/561523584.db2.gz CGSHSJLQLFZXFN-ZWKOTPCHSA-N 0 3 351.454 2.468 20 30 FEEDHN N#CC(=C([O-])c1ccc2c(c1)NC(=O)CNC2=O)c1nccc2ccccc21 ZINC000498971697 561539802 /nfs/dbraw/zinc/53/98/02/561539802.db2.gz BEBDPJDZSIZIHB-INIZCTEOSA-N 0 3 370.368 2.407 20 30 FEEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CNC2=O)c1nccc2ccccc21 ZINC000498971697 561539803 /nfs/dbraw/zinc/53/98/03/561539803.db2.gz BEBDPJDZSIZIHB-INIZCTEOSA-N 0 3 370.368 2.407 20 30 FEEDHN COc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)c(C)c1OC ZINC000285948051 551830667 /nfs/dbraw/zinc/83/06/67/551830667.db2.gz DUBGCHWEHQRXRN-JPWUFHEYSA-N 0 3 359.426 2.189 20 30 FEEDHN CN(CCC#N)C(=O)CCN[C@](C)(CO)c1ccc(Br)cc1 ZINC000286328821 551874862 /nfs/dbraw/zinc/87/48/62/551874862.db2.gz DQLKBTMZMRIXEO-MRXNPFEDSA-N 0 3 368.275 2.008 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000286432556 551884795 /nfs/dbraw/zinc/88/47/95/551884795.db2.gz GNPXLOCQVNNPRZ-UHFFFAOYSA-N 0 3 355.482 2.358 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000286624314 551907579 /nfs/dbraw/zinc/90/75/79/551907579.db2.gz MBRDFFWTZDKZJO-RBUKOAKNSA-N 0 3 355.482 2.206 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](CCC)Cc2ccccc2)CC1 ZINC000287502576 552012407 /nfs/dbraw/zinc/01/24/07/552012407.db2.gz YXOYJBBPOLFAMM-LJQANCHMSA-N 0 3 357.498 2.281 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)CC1 ZINC000287698612 552035736 /nfs/dbraw/zinc/03/57/36/552035736.db2.gz KHGXRECDOQAXJR-LJQANCHMSA-N 0 3 355.482 2.411 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000288144847 552099208 /nfs/dbraw/zinc/09/92/08/552099208.db2.gz LRMKEMOKXXSIFF-MLGOLLRUSA-N 0 3 360.845 2.235 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289432411 552320663 /nfs/dbraw/zinc/32/06/63/552320663.db2.gz SBWRCBNCMDQVQJ-OMWUSAIZSA-N 0 3 364.440 2.308 20 30 FEEDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000290099602 552427445 /nfs/dbraw/zinc/42/74/45/552427445.db2.gz QHBLISDHOJDMJX-CABCVRRESA-N 0 3 360.458 2.153 20 30 FEEDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000290162358 552436827 /nfs/dbraw/zinc/43/68/27/552436827.db2.gz WZDNZGCFQFULSL-CQSZACIVSA-N 0 3 361.490 2.290 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1F ZINC000290357874 552466239 /nfs/dbraw/zinc/46/62/39/552466239.db2.gz ZCIQPMAMSYTXEA-MRXNPFEDSA-N 0 3 358.417 2.113 20 30 FEEDHN N#Cc1ccc(OC2CCC(NC(=O)C34CCCN3CCC4)CC2)nc1 ZINC000290428455 552477589 /nfs/dbraw/zinc/47/75/89/552477589.db2.gz SFAJJVRYVMAMBF-UHFFFAOYSA-N 0 3 354.454 2.388 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](n3cccn3)C2)c(OC)c1 ZINC000292014061 552684786 /nfs/dbraw/zinc/68/47/86/552684786.db2.gz XXUXJAWFWXBIMH-ROUUACIJSA-N 0 3 357.454 2.307 20 30 FEEDHN CN1CC[C@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000292048366 552688457 /nfs/dbraw/zinc/68/84/57/552688457.db2.gz AQUJZVONZCZWPG-UZLBHIALSA-N 0 3 356.445 2.078 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H]1N(C)C ZINC000293317568 552810812 /nfs/dbraw/zinc/81/08/12/552810812.db2.gz FJAWZEWIYBRSKW-VXGBXAGGSA-N 0 3 358.389 2.090 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000293493228 552829273 /nfs/dbraw/zinc/82/92/73/552829273.db2.gz WOVKOVGOLJLRAW-UHFFFAOYSA-N 0 3 355.360 2.024 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000293503054 552830277 /nfs/dbraw/zinc/83/02/77/552830277.db2.gz XKVWZPQSVWEKQO-UHFFFAOYSA-N 0 3 363.433 2.013 20 30 FEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295148935 552963447 /nfs/dbraw/zinc/96/34/47/552963447.db2.gz NGCOXGNCUOJKGX-GOSISDBHSA-N 0 3 360.502 2.041 20 30 FEEDHN C[C@H]1CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCN(C2CC2)C1 ZINC000295260509 552977838 /nfs/dbraw/zinc/97/78/38/552977838.db2.gz FZBCHMLQSKTCJN-WBVHZDCISA-N 0 3 370.472 2.466 20 30 FEEDHN CCN(CCCN1CCCC1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295827006 553064887 /nfs/dbraw/zinc/06/48/87/553064887.db2.gz CEUQQRCALUGMCQ-UHFFFAOYSA-N 0 3 353.463 2.335 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295871043 553070008 /nfs/dbraw/zinc/07/00/08/553070008.db2.gz FQJBJFBPHXIHPC-DYVFJYSZSA-N 0 3 351.447 2.086 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC000296395933 553152916 /nfs/dbraw/zinc/15/29/16/553152916.db2.gz QGZKZAVOTZZOHN-UHFFFAOYSA-N 0 3 357.433 2.074 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000296842001 553218972 /nfs/dbraw/zinc/21/89/72/553218972.db2.gz JIUWPODNKVEVTN-UHFFFAOYSA-N 0 3 371.407 2.204 20 30 FEEDHN CO[C@H]1COC[C@@H]1NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000298419262 553423188 /nfs/dbraw/zinc/42/31/88/553423188.db2.gz FWGGOMUXXWWCKB-UGFHNGPFSA-N 0 3 363.483 2.077 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](CCSC)NC(=O)CC)C(C)C ZINC000298921619 553489972 /nfs/dbraw/zinc/48/99/72/553489972.db2.gz BPXCNVANETUYBA-DLBZAZTESA-N 0 3 369.575 2.449 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(C(=O)OC)c(C3CC3)n2)CC1 ZINC000504412094 561657803 /nfs/dbraw/zinc/65/78/03/561657803.db2.gz UTFHFUSEYCFZBK-UHFFFAOYSA-N 0 3 372.469 2.195 20 30 FEEDHN N#Cc1cc(S(N)(=O)=O)ccc1NC1CCN(Cc2ccccc2)CC1 ZINC000301336513 553643315 /nfs/dbraw/zinc/64/33/15/553643315.db2.gz GKXDQHHYISQGFL-UHFFFAOYSA-N 0 3 370.478 2.282 20 30 FEEDHN CN(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccc(F)cc1 ZINC000301372952 553646097 /nfs/dbraw/zinc/64/60/97/553646097.db2.gz QHDIZRRWRMVLBZ-KRWDZBQOSA-N 0 3 362.430 2.060 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000301906511 553690797 /nfs/dbraw/zinc/69/07/97/553690797.db2.gz AETQUFDZXKHSEI-MRXNPFEDSA-N 0 3 366.387 2.496 20 30 FEEDHN N#Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000302198505 553709945 /nfs/dbraw/zinc/70/99/45/553709945.db2.gz GBTUXDUQMMZXDK-QGZVFWFLSA-N 0 3 352.394 2.298 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000505555181 561673867 /nfs/dbraw/zinc/67/38/67/561673867.db2.gz JFPBQHADROVZRC-FQEVSTJZSA-N 0 3 357.502 2.291 20 30 FEEDHN CCN1CCN(C[C@H](C)CNc2cc(C#N)c(Br)cn2)CC1 ZINC000603280329 553752505 /nfs/dbraw/zinc/75/25/05/553752505.db2.gz UXSMHBHGZGQSFX-CYBMUJFWSA-N 0 3 366.307 2.401 20 30 FEEDHN CCN1CCC[C@H](CNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1 ZINC000328682670 553806819 /nfs/dbraw/zinc/80/68/19/553806819.db2.gz DCINSMACQQWCBM-CQSZACIVSA-N 0 3 365.499 2.164 20 30 FEEDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000328701496 553809120 /nfs/dbraw/zinc/80/91/20/553809120.db2.gz NJEHJTCMQXWAMS-GOEBONIOSA-N 0 3 351.491 2.091 20 30 FEEDHN O=C(Nc1ccccc1CN1CCC(O)CC1)[C@@H]1CCc2n[nH]nc2C1 ZINC000328766046 553819266 /nfs/dbraw/zinc/81/92/66/553819266.db2.gz HAWGPUSYTQLTLH-CYBMUJFWSA-N 0 3 355.442 2.155 20 30 FEEDHN CCN1CCN([C@H](C)CNC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000328806525 553825218 /nfs/dbraw/zinc/82/52/18/553825218.db2.gz DGCHYHQXNSUIKM-CYBMUJFWSA-N 0 3 351.520 2.374 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000328954680 553852980 /nfs/dbraw/zinc/85/29/80/553852980.db2.gz IOAYALHSYDSQRK-UWVAXJGDSA-N 0 3 368.437 2.360 20 30 FEEDHN CO[C@H]1C[C@@H](CN(C)CC(=O)Nc2nc3c(s2)CCCC3)N(C)C1 ZINC000329000930 553862196 /nfs/dbraw/zinc/86/21/96/553862196.db2.gz GUULSRNEPNHKTF-STQMWFEESA-N 0 3 352.504 2.261 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329036645 553869130 /nfs/dbraw/zinc/86/91/30/553869130.db2.gz YXDQUKIQQLZKRT-IAGOWNOFSA-N 0 3 365.522 2.045 20 30 FEEDHN CC(=O)N1CCC[C@](O)(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000329082487 553877026 /nfs/dbraw/zinc/87/70/26/553877026.db2.gz SDBSAYBIMYCDEX-LEWJYISDSA-N 0 3 373.497 2.371 20 30 FEEDHN COc1ccc2c(c1)OC[C@H](NC(=O)N1CCCC13CCN(C)CC3)C2 ZINC000329096689 553879503 /nfs/dbraw/zinc/87/95/03/553879503.db2.gz YIBWWRGUEHZCCP-MRXNPFEDSA-N 0 3 359.470 2.473 20 30 FEEDHN CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@@H](C)CN3CCC[C@@H](C)C3)CC[C@@H]21 ZINC000329148745 553889706 /nfs/dbraw/zinc/88/97/06/553889706.db2.gz YMYDOFREKVKKRV-TWMKSMIVSA-N 0 3 365.522 2.102 20 30 FEEDHN CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1 ZINC000329198659 553900281 /nfs/dbraw/zinc/90/02/81/553900281.db2.gz APFGKFJLQOEPSW-OTWHNJEPSA-N 0 3 361.486 2.024 20 30 FEEDHN CNC(=O)C1CCC(NC(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)CC1 ZINC000329211683 553903261 /nfs/dbraw/zinc/90/32/61/553903261.db2.gz ZKIPVRHBXSFIPN-GQGLESIBSA-N 0 3 366.506 2.231 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329231671 553907502 /nfs/dbraw/zinc/90/75/02/553907502.db2.gz KUTBMPBNIHOLRH-IAGOWNOFSA-N 0 3 350.507 2.109 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)[C@H]2C1 ZINC000329257237 553912139 /nfs/dbraw/zinc/91/21/39/553912139.db2.gz BVRVMEGRUOLSMM-NXHRZFHOSA-N 0 3 362.518 2.108 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCCc3csc(N4CCCC4)n3)[C@H]2C1 ZINC000329278820 553916548 /nfs/dbraw/zinc/91/65/48/553916548.db2.gz LIGVOWDWAFPCCP-ZBFHGGJFSA-N 0 3 363.531 2.226 20 30 FEEDHN CN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H]1CN2CCC1CC2 ZINC000329288171 553918649 /nfs/dbraw/zinc/91/86/49/553918649.db2.gz MPRMYMIACUEYKP-APWZRJJASA-N 0 3 356.445 2.076 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)C1 ZINC000329298790 553920303 /nfs/dbraw/zinc/92/03/03/553920303.db2.gz UUYIJBHAPKKTSC-YIOZNXECSA-N 0 3 353.507 2.289 20 30 FEEDHN O=C(NCC1CCN(c2ccncc2)CC1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329525954 553962155 /nfs/dbraw/zinc/96/21/55/553962155.db2.gz HIDYQBKABQKINW-RTBURBONSA-N 0 3 374.485 2.092 20 30 FEEDHN CN(C)C1(CNC(=O)NC[C@@H]2CCCCS2(=O)=O)CCCCCC1 ZINC000329627330 553978851 /nfs/dbraw/zinc/97/88/51/553978851.db2.gz GXNCXSIBZBQWRF-HNNXBMFYSA-N 0 3 359.536 2.112 20 30 FEEDHN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1=O ZINC000329641321 553981442 /nfs/dbraw/zinc/98/14/42/553981442.db2.gz XRHJOLSNXUQSDT-SIZVQLJJSA-N 0 3 370.497 2.020 20 30 FEEDHN Cc1ncc(CNC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)s1 ZINC000329769460 554002959 /nfs/dbraw/zinc/00/29/59/554002959.db2.gz FINKCLPKXYVLTE-UHFFFAOYSA-N 0 3 365.547 2.215 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncnc4sccc43)CC2)CCN1C ZINC000329815291 554010905 /nfs/dbraw/zinc/01/09/05/554010905.db2.gz VDNOGGFNSLLOET-KGLIPLIRSA-N 0 3 374.514 2.210 20 30 FEEDHN Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3CCCN3C3CCCC3)C2)c1=O ZINC000329834090 554014822 /nfs/dbraw/zinc/01/48/22/554014822.db2.gz LMYWGOOUKGJUTF-DOTOQJQBSA-N 0 3 373.501 2.113 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000329957198 554038611 /nfs/dbraw/zinc/03/86/11/554038611.db2.gz QAPQEUJQPDCZAA-FZKCQIBNSA-N 0 3 351.470 2.162 20 30 FEEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000329994420 554046060 /nfs/dbraw/zinc/04/60/60/554046060.db2.gz ZHFBMOSBHLPKNL-UXHICEINSA-N 0 3 372.513 2.365 20 30 FEEDHN CC(C(=O)NC[C@@H]1CCOc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000330035324 554052664 /nfs/dbraw/zinc/05/26/64/554052664.db2.gz BSFGXWKDNXIGTJ-KGLIPLIRSA-N 0 3 367.467 2.492 20 30 FEEDHN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1=O ZINC000330056735 554056647 /nfs/dbraw/zinc/05/66/47/554056647.db2.gz WIPRTOXFIJHNMZ-HOTGVXAUSA-N 0 3 359.474 2.279 20 30 FEEDHN C[C@H](CNC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1)N1CCC(C)CC1 ZINC000330137538 554071762 /nfs/dbraw/zinc/07/17/62/554071762.db2.gz UYMOGVYUJFHRPP-ZIFCJYIRSA-N 0 3 353.507 2.291 20 30 FEEDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cn1 ZINC000330188296 554081216 /nfs/dbraw/zinc/08/12/16/554081216.db2.gz UKTAALNGVUYDCY-DNMXQMFDSA-N 0 3 374.489 2.003 20 30 FEEDHN CN1CC[C@]2(CCN(C(=O)N[C@@H]3CCCN(C4CCCCC4)C3=O)C2)C1 ZINC000330225889 554088666 /nfs/dbraw/zinc/08/86/66/554088666.db2.gz UDPAZSLQDLEMKC-XLIONFOSSA-N 0 3 362.518 2.252 20 30 FEEDHN CC(C)[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCO1 ZINC000330228383 554089200 /nfs/dbraw/zinc/08/92/00/554089200.db2.gz PQBAPOUSGJWXQS-BQFCYCMXSA-N 0 3 353.507 2.289 20 30 FEEDHN Cc1nnsc1CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000330272413 554097035 /nfs/dbraw/zinc/09/70/35/554097035.db2.gz XPWOGRZFOIBZBO-STQMWFEESA-N 0 3 367.519 2.082 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)CCN1C ZINC000330271083 554097289 /nfs/dbraw/zinc/09/72/89/554097289.db2.gz VJCRFVTWNFXPNT-RBSFLKMASA-N 0 3 350.438 2.461 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000330272569 554097293 /nfs/dbraw/zinc/09/72/93/554097293.db2.gz XSLLWWGGBYJVJL-SPUZQDLCSA-N 0 3 351.491 2.043 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCOC[C@H]2c2nc(C)cs2)CC1 ZINC000330354485 554110414 /nfs/dbraw/zinc/11/04/14/554110414.db2.gz PPDVFKWZXJXMLJ-HNNXBMFYSA-N 0 3 352.504 2.266 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N1CCC[C@H](C)C1 ZINC000330486464 554128024 /nfs/dbraw/zinc/12/80/24/554128024.db2.gz CRNOYSXDZMFKNC-UONOGXRCSA-N 0 3 353.463 2.237 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000508382247 561760590 /nfs/dbraw/zinc/76/05/90/561760590.db2.gz LSGLTXLQHYAPOK-QGZVFWFLSA-N 0 3 372.513 2.498 20 30 FEEDHN CCC1(CC)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1(=O)=O ZINC000330999216 554199355 /nfs/dbraw/zinc/19/93/55/554199355.db2.gz JFXAVRYGGKORLC-QGZVFWFLSA-N 0 3 373.478 2.056 20 30 FEEDHN C[C@H](CS(C)(=O)=O)N(C)C(=O)NC[C@H]1CCCN1C1CCCCC1 ZINC000331245716 554235882 /nfs/dbraw/zinc/23/58/82/554235882.db2.gz LYMPFNKQFYMYOA-GDBMZVCRSA-N 0 3 359.536 2.062 20 30 FEEDHN CC(=O)Nc1ccc(F)c(NC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000331282191 554241129 /nfs/dbraw/zinc/24/11/29/554241129.db2.gz VLEMBEHIVONASO-UHFFFAOYSA-N 0 3 365.453 2.136 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000331464495 554269228 /nfs/dbraw/zinc/26/92/28/554269228.db2.gz ZPODWZKHHWJYPG-KRWDZBQOSA-N 0 3 355.486 2.122 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000509270926 561793218 /nfs/dbraw/zinc/79/32/18/561793218.db2.gz QSWJLCWXEZWWMX-INIZCTEOSA-N 0 3 356.536 2.101 20 30 FEEDHN CC(C)[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCCCC1 ZINC000332531858 554465134 /nfs/dbraw/zinc/46/51/34/554465134.db2.gz VYQKLGYOEZBGHA-LJQANCHMSA-N 0 3 355.486 2.112 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000332583748 554476438 /nfs/dbraw/zinc/47/64/38/554476438.db2.gz ATJVWNQGSUANCA-UHFFFAOYSA-N 0 3 358.486 2.447 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000332583748 554476442 /nfs/dbraw/zinc/47/64/42/554476442.db2.gz ATJVWNQGSUANCA-UHFFFAOYSA-N 0 3 358.486 2.447 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000333357289 554605747 /nfs/dbraw/zinc/60/57/47/554605747.db2.gz STXDJDUNYDQGSQ-HNNXBMFYSA-N 0 3 361.877 2.137 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000334051988 554672882 /nfs/dbraw/zinc/67/28/82/554672882.db2.gz SMBHNFAVBHEYGP-OAQYLSRUSA-N 0 3 369.465 2.456 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C2CCN([C@H](C)c3ccccc3)CC2)C1=O ZINC000348506043 554687570 /nfs/dbraw/zinc/68/75/70/554687570.db2.gz JRTVDCZHMIQHMD-CRAIPNDOSA-N 0 3 357.454 2.335 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(CC2CCN(Cc3cccs3)CC2)C1=O ZINC000348505873 554687602 /nfs/dbraw/zinc/68/76/02/554687602.db2.gz JFHHHEBPDOOCRI-INIZCTEOSA-N 0 3 363.483 2.083 20 30 FEEDHN N#Cc1cccc(OCCCN2CCC(CC(=O)N3CCOCC3)CC2)c1 ZINC000360899848 554894286 /nfs/dbraw/zinc/89/42/86/554894286.db2.gz XYHPNPFHQGHAQQ-UHFFFAOYSA-N 0 3 371.481 2.288 20 30 FEEDHN CN(C)CCOc1ccc(CNC(=O)Cc2c(F)cccc2C#N)cc1 ZINC000511525401 561871741 /nfs/dbraw/zinc/87/17/41/561871741.db2.gz LHHGOZPTSWLALA-UHFFFAOYSA-N 0 3 355.413 2.497 20 30 FEEDHN N#C[C@@H]1CN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCN1C1CC1 ZINC000362983767 555005100 /nfs/dbraw/zinc/00/51/00/555005100.db2.gz KPENPRPXBDAAGT-WOJBJXKFSA-N 0 3 367.497 2.205 20 30 FEEDHN CS[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000363689819 555164986 /nfs/dbraw/zinc/16/49/86/555164986.db2.gz OQKIQYMRYJDMEP-ZWKOTPCHSA-N 0 3 355.511 2.436 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363854974 555200097 /nfs/dbraw/zinc/20/00/97/555200097.db2.gz HTJIBGVLANMFHN-CRAIPNDOSA-N 0 3 350.422 2.377 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)CC3(N(C)C)CCC3)C2)n1 ZINC000364119550 555253380 /nfs/dbraw/zinc/25/33/80/555253380.db2.gz JTKKADSBEWAZKX-GOSISDBHSA-N 0 3 369.513 2.421 20 30 FEEDHN C=CCN(C(=O)Nc1nccn(C)c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364288296 555285524 /nfs/dbraw/zinc/28/55/24/555285524.db2.gz GSLLVJZDEHEQDF-KRWDZBQOSA-N 0 3 367.453 2.075 20 30 FEEDHN Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)nn1-c1cccc(C#N)c1 ZINC000364511187 555327148 /nfs/dbraw/zinc/32/71/48/555327148.db2.gz UOJKVJONLPZXBN-AEFFLSMTSA-N 0 3 364.453 2.753 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CCCC23CCN(C)CC3)c1 ZINC000364777393 555399962 /nfs/dbraw/zinc/39/99/62/555399962.db2.gz JRMGZWVHUGCNRH-UHFFFAOYSA-N 0 3 357.454 2.277 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000365041224 555471356 /nfs/dbraw/zinc/47/13/56/555471356.db2.gz WRCMUGHXIJIZOL-HOTGVXAUSA-N 0 3 370.453 2.003 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000365041220 555471500 /nfs/dbraw/zinc/47/15/00/555471500.db2.gz WRCMUGHXIJIZOL-CVEARBPZSA-N 0 3 370.453 2.003 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)C2)n1 ZINC000366039774 555734060 /nfs/dbraw/zinc/73/40/60/555734060.db2.gz HIXBCTRIBOWFIS-UCLAIMLFSA-N 0 3 367.497 2.077 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000366090828 555748573 /nfs/dbraw/zinc/74/85/73/555748573.db2.gz ABOPFPOCQXFGKU-QGZVFWFLSA-N 0 3 359.449 2.330 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000366148597 555765029 /nfs/dbraw/zinc/76/50/29/555765029.db2.gz ZMHDACKQWORXQR-OAHLLOKOSA-N 0 3 371.485 2.186 20 30 FEEDHN CN(C)C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)c2ccccc2O1 ZINC000366163862 555769661 /nfs/dbraw/zinc/76/96/61/555769661.db2.gz WVKWBSSBNIUPOK-SFHVURJKSA-N 0 3 364.449 2.004 20 30 FEEDHN C=C(C)[C@H](CC(=O)N1CCC(N2CCN(CCC)CC2)CC1)OCC ZINC000366824772 555944176 /nfs/dbraw/zinc/94/41/76/555944176.db2.gz GPHXNLDXUNHNNN-IBGZPJMESA-N 0 3 351.535 2.376 20 30 FEEDHN N#CC1(CCCN2CCC[C@@H]2C(=O)NCC2CCOCC2)CCOCC1 ZINC000367085626 556001029 /nfs/dbraw/zinc/00/10/29/556001029.db2.gz QUJUCJWEIQHXLX-GOSISDBHSA-N 0 3 363.502 2.094 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CCN(CC)C2 ZINC000367194499 556003585 /nfs/dbraw/zinc/00/35/85/556003585.db2.gz JRMRKUQQPUDVPQ-KXBFYZLASA-N 0 3 371.481 2.101 20 30 FEEDHN C=CCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000367199126 556003611 /nfs/dbraw/zinc/00/36/11/556003611.db2.gz AZADMSWONBZXED-GOSISDBHSA-N 0 3 366.465 2.289 20 30 FEEDHN C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCN1C1CCN(C)CC1 ZINC000367454274 556054208 /nfs/dbraw/zinc/05/42/08/556054208.db2.gz NZGHKQOCLPSXLN-DKRLNXSXSA-N 0 3 352.482 2.198 20 30 FEEDHN CCCN1CCN(C2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000367598748 556093925 /nfs/dbraw/zinc/09/39/25/556093925.db2.gz GGPAKFWBCXEJHN-UHFFFAOYSA-N 0 3 358.461 2.330 20 30 FEEDHN N#Cc1ccc(N2CCC(N[C@H](c3nnc[nH]3)c3ccccc3)CC2)nc1 ZINC000367994150 556190770 /nfs/dbraw/zinc/19/07/70/556190770.db2.gz QAPMAGSGNOAGRO-IBGZPJMESA-N 0 3 359.437 2.419 20 30 FEEDHN CN(C)Cc1ccccc1C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000368154178 556231550 /nfs/dbraw/zinc/23/15/50/556231550.db2.gz LZHDFZJQQBBDIX-UHFFFAOYSA-N 0 3 363.465 2.732 20 30 FEEDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000368495805 556326253 /nfs/dbraw/zinc/32/62/53/556326253.db2.gz KTYANWYOUJDBDZ-IRWQIABSSA-N 0 3 372.444 2.108 20 30 FEEDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000368497436 556326749 /nfs/dbraw/zinc/32/67/49/556326749.db2.gz YPTBHHXTHZUSBZ-FGDXXIHYSA-N 0 3 360.845 2.185 20 30 FEEDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000368497438 556327039 /nfs/dbraw/zinc/32/70/39/556327039.db2.gz YPTBHHXTHZUSBZ-QXKQMHMISA-N 0 3 360.845 2.185 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000515473100 562011900 /nfs/dbraw/zinc/01/19/00/562011900.db2.gz VDDBETKVAQUAPC-LJQANCHMSA-N 0 3 357.498 2.438 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368999729 556472500 /nfs/dbraw/zinc/47/25/00/556472500.db2.gz GEXIKKJXYQIWGX-HNNXBMFYSA-N 0 3 368.397 2.329 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000369289641 556566147 /nfs/dbraw/zinc/56/61/47/556566147.db2.gz CCBBXVHQZFNQRF-DLBZAZTESA-N 0 3 363.396 2.170 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1 ZINC000369688843 556669232 /nfs/dbraw/zinc/66/92/32/556669232.db2.gz FBEUSGWWAJWBNN-HFCFLWKCSA-N 0 3 359.514 2.018 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000370026287 556761314 /nfs/dbraw/zinc/76/13/14/556761314.db2.gz MCUMQPIPDJRAOQ-FQEVSTJZSA-N 0 3 367.493 2.285 20 30 FEEDHN CN(C)C(=O)c1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH]1 ZINC000370256293 556822566 /nfs/dbraw/zinc/82/25/66/556822566.db2.gz MGWPIIRKEPYBPJ-MRXNPFEDSA-N 0 3 369.444 2.486 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370462844 556879583 /nfs/dbraw/zinc/87/95/83/556879583.db2.gz RKCFFQCAVVVYTJ-AZUAARDMSA-N 0 3 372.513 2.369 20 30 FEEDHN C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000370668173 556935626 /nfs/dbraw/zinc/93/56/26/556935626.db2.gz UAVYQKYSVKFQPV-HOCLYGCPSA-N 0 3 359.451 2.340 20 30 FEEDHN C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000370668173 556935630 /nfs/dbraw/zinc/93/56/30/556935630.db2.gz UAVYQKYSVKFQPV-HOCLYGCPSA-N 0 3 359.451 2.340 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000370884792 557002248 /nfs/dbraw/zinc/00/22/48/557002248.db2.gz CQRROQOZFNEEKF-NVXWUHKLSA-N 0 3 373.501 2.090 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1)C(C)C ZINC000371431141 557185171 /nfs/dbraw/zinc/18/51/71/557185171.db2.gz MWDPYIHEMPPIGH-NSHGMRRFSA-N 0 3 365.518 2.322 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-n2nnnc2C)cc1)C(C)C ZINC000518197282 562106197 /nfs/dbraw/zinc/10/61/97/562106197.db2.gz IJQLEDNVBUGGLU-IBGZPJMESA-N 0 3 368.485 2.399 20 30 FEEDHN CC(C(=O)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1)S(C)(=O)=O ZINC000371988937 557348285 /nfs/dbraw/zinc/34/82/85/557348285.db2.gz XBNUGLRSVVKJHB-QWRGUYRKSA-N 0 3 363.464 2.292 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2n1CCCC2 ZINC000372150634 557393525 /nfs/dbraw/zinc/39/35/25/557393525.db2.gz WAEQUJPQDASHBJ-UHFFFAOYSA-N 0 3 351.454 2.295 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2cn[nH]c21 ZINC000372215689 557411518 /nfs/dbraw/zinc/41/15/18/557411518.db2.gz HYBAIOIZWDUNOW-SFHVURJKSA-N 0 3 351.454 2.292 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H](CO)C2CCCCC2)c1 ZINC000518980010 562122398 /nfs/dbraw/zinc/12/23/98/562122398.db2.gz ZIBDUTXWEWGACA-KRWDZBQOSA-N 0 3 350.484 2.110 20 30 FEEDHN CO/N=C/c1ccc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000372367765 557452391 /nfs/dbraw/zinc/45/23/91/557452391.db2.gz RMGWNONUQCYLES-CJLVFECKSA-N 0 3 372.513 2.298 20 30 FEEDHN CN1CC[C@@H](CNC(=O)c2ccccc2OCC#N)[C@@H]1c1cccnc1 ZINC000372387411 557457021 /nfs/dbraw/zinc/45/70/21/557457021.db2.gz PVCUSDXKTWQZOO-LPHOPBHVSA-N 0 3 350.422 2.407 20 30 FEEDHN C=CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372598011 557516554 /nfs/dbraw/zinc/51/65/54/557516554.db2.gz COLIAGQKCCMPGF-QGZVFWFLSA-N 0 3 369.425 2.080 20 30 FEEDHN C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000373198147 557648117 /nfs/dbraw/zinc/64/81/17/557648117.db2.gz NHMDQDSZAYKNEM-XLIONFOSSA-N 0 3 366.509 2.340 20 30 FEEDHN N#Cc1ncn(C2CCN(CCCc3nc(-c4ccccc4)no3)CC2)n1 ZINC000373398094 557686910 /nfs/dbraw/zinc/68/69/10/557686910.db2.gz DSBWGKYCZRTFGD-UHFFFAOYSA-N 0 3 363.425 2.469 20 30 FEEDHN Cc1ccc(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2=O)o1 ZINC000373407052 557688264 /nfs/dbraw/zinc/68/82/64/557688264.db2.gz YAFQEIILOOXFOC-QGZVFWFLSA-N 0 3 362.389 2.017 20 30 FEEDHN N#Cc1cnccc1N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000373449063 557696254 /nfs/dbraw/zinc/69/62/54/557696254.db2.gz SNNRDLKYFVZBEY-SFHVURJKSA-N 0 3 362.481 2.387 20 30 FEEDHN C=CCN1CC[C@@H](N(C)Cc2ccccc2N(C)C2CCN(C)CC2)C1=O ZINC000374185531 557839835 /nfs/dbraw/zinc/83/98/35/557839835.db2.gz DIQSFFXODIFLGI-OAQYLSRUSA-N 0 3 370.541 2.436 20 30 FEEDHN CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374333344 557867225 /nfs/dbraw/zinc/86/72/25/557867225.db2.gz UOUFMUSSMUUXPQ-FPDPHYFHSA-N 0 3 366.465 2.121 20 30 FEEDHN Cc1ncccc1O[C@@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000375457482 558030670 /nfs/dbraw/zinc/03/06/70/558030670.db2.gz JZJYHYUUPQCYNB-IEBWSBKVSA-N 0 3 353.422 2.155 20 30 FEEDHN C=CCN(C(=O)c1ccoc1CC(N)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000375640008 558061036 /nfs/dbraw/zinc/06/10/36/558061036.db2.gz FDNMZKNAJBPUIM-QGZVFWFLSA-N 0 3 367.449 2.210 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000375665727 558064186 /nfs/dbraw/zinc/06/41/86/558064186.db2.gz RCHVTFQCJUYGLM-YOEHRIQHSA-N 0 3 362.437 2.436 20 30 FEEDHN Cn1cc(C[C@@H]2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000375819675 558084733 /nfs/dbraw/zinc/08/47/33/558084733.db2.gz ZLKNMGDKUUKHOX-PXNSSMCTSA-N 0 3 363.465 2.352 20 30 FEEDHN Cn1cc(C[C@H]2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000375819677 558084825 /nfs/dbraw/zinc/08/48/25/558084825.db2.gz ZLKNMGDKUUKHOX-YLJYHZDGSA-N 0 3 363.465 2.352 20 30 FEEDHN COc1cc(CNC[C@@H]2C[C@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000376609329 558197189 /nfs/dbraw/zinc/19/71/89/558197189.db2.gz IVHVGBLGHGYQJY-PMACEKPBSA-N 0 3 351.450 2.292 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@]23CCOC3)cc1 ZINC000376629264 558199864 /nfs/dbraw/zinc/19/98/64/558199864.db2.gz NGELGCILFKKCSF-GUYCJALGSA-N 0 3 363.439 2.159 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)O[C@]3(CCOC3)C2)CC1 ZINC000377075205 558260617 /nfs/dbraw/zinc/26/06/17/558260617.db2.gz XRONSJPFMRRLDU-PKOBYXMFSA-N 0 3 351.491 2.006 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000377404158 558334425 /nfs/dbraw/zinc/33/44/25/558334425.db2.gz XPBLWOMUCLHAOU-OWQGQXMQSA-N 0 3 361.511 2.298 20 30 FEEDHN CN1CC[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000377650369 558386906 /nfs/dbraw/zinc/38/69/06/558386906.db2.gz MDQJIXYGGOSHMX-YTQUADARSA-N 0 3 360.889 2.483 20 30 FEEDHN C#CCN1CCC(C(=O)NCC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000377907218 558445897 /nfs/dbraw/zinc/44/58/97/558445897.db2.gz SXNGUXNXHNPNLI-UHFFFAOYSA-N 0 3 364.493 2.236 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](NC(=O)C34CCCN3CCC4)C2)c(F)c1 ZINC000377966605 558453927 /nfs/dbraw/zinc/45/39/27/558453927.db2.gz VEJQJFUWICKHOW-MRXNPFEDSA-N 0 3 356.445 2.411 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 ZINC000378118214 558485158 /nfs/dbraw/zinc/48/51/58/558485158.db2.gz ZEQWCEAXSJNWHV-FQEVSTJZSA-N 0 3 354.498 2.118 20 30 FEEDHN C#CCOc1ccc(CN2CCC(NC(=O)c3cccn3C)CC2)cc1 ZINC000378349436 558535779 /nfs/dbraw/zinc/53/57/79/558535779.db2.gz OOHBHPKDEMONNX-UHFFFAOYSA-N 0 3 351.450 2.432 20 30 FEEDHN CCN(CC)[C@@H](CNS(=O)(=O)N(CC)CCC#N)Cc1ccccc1 ZINC000409562255 558703192 /nfs/dbraw/zinc/70/31/92/558703192.db2.gz PKOUXEZEZWXVQC-GOSISDBHSA-N 0 3 366.531 2.009 20 30 FEEDHN Cc1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)ccc1OCCN1CCCC1 ZINC000409715318 558715910 /nfs/dbraw/zinc/71/59/10/558715910.db2.gz GPXINVKBSBOVPK-HNNXBMFYSA-N 0 3 368.441 2.133 20 30 FEEDHN C=CCN(C)CCN(CC)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000411646890 558935373 /nfs/dbraw/zinc/93/53/73/558935373.db2.gz WOOOYNPDGGYZNQ-LJQANCHMSA-N 0 3 361.486 2.249 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCCC(C)(C)C3)CC2)o1 ZINC000525838578 562256838 /nfs/dbraw/zinc/25/68/38/562256838.db2.gz KLXLUFGXEBFCFD-UHFFFAOYSA-N 0 3 359.474 2.015 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)cn1C ZINC000412675619 559050078 /nfs/dbraw/zinc/05/00/78/559050078.db2.gz QLWOKOHTUDZZAV-UYAOXDASSA-N 0 3 366.465 2.164 20 30 FEEDHN C[C@H](C(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000413177221 559085684 /nfs/dbraw/zinc/08/56/84/559085684.db2.gz LPBWOCQXDTXMIO-HNNXBMFYSA-N 0 3 359.470 2.426 20 30 FEEDHN C[C@@H](C(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000413177228 559085695 /nfs/dbraw/zinc/08/56/95/559085695.db2.gz LPBWOCQXDTXMIO-OAHLLOKOSA-N 0 3 359.470 2.426 20 30 FEEDHN CCN1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000413263694 559093194 /nfs/dbraw/zinc/09/31/94/559093194.db2.gz MSQHBGOWZWZDBG-HOTGVXAUSA-N 0 3 359.449 2.060 20 30 FEEDHN C[C@@H]1C[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@@H](C)O1 ZINC000413738381 559128079 /nfs/dbraw/zinc/12/80/79/559128079.db2.gz APVPQKVFOSBGID-MDZRGWNJSA-N 0 3 358.486 2.445 20 30 FEEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1csnn1 ZINC000413805531 559131631 /nfs/dbraw/zinc/13/16/31/559131631.db2.gz AVJYXEQUCINYIY-ZDUSSCGKSA-N 0 3 358.471 2.244 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000526919086 562269358 /nfs/dbraw/zinc/26/93/58/562269358.db2.gz UIZCNHASWIFGGU-MSOLQXFVSA-N 0 3 364.449 2.290 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000413940552 559142015 /nfs/dbraw/zinc/14/20/15/559142015.db2.gz BPOPVZKEWUPRGD-XMSQKQJNSA-N 0 3 361.445 2.415 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc(Br)ccc1C ZINC000414431142 559163570 /nfs/dbraw/zinc/16/35/70/559163570.db2.gz XWYSNOQIHLPBAY-NSHDSACASA-N 0 3 360.273 2.363 20 30 FEEDHN N#CCCN(CC1CC1)C(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415123756 559206570 /nfs/dbraw/zinc/20/65/70/559206570.db2.gz BCNHUGOMUOSUPU-UHFFFAOYSA-N 0 3 368.359 2.255 20 30 FEEDHN N#Cc1ccc(CN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C2CC2)cc1 ZINC000415190508 559213616 /nfs/dbraw/zinc/21/36/16/559213616.db2.gz XSNDQBSNGLLZMZ-UHFFFAOYSA-N 0 3 360.417 2.291 20 30 FEEDHN CC(C)(CC#N)CNC(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415262491 559219511 /nfs/dbraw/zinc/21/95/11/559219511.db2.gz BKKLDFRNMYDAFH-UHFFFAOYSA-N 0 3 356.348 2.159 20 30 FEEDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415502563 559244204 /nfs/dbraw/zinc/24/42/04/559244204.db2.gz TYAYTUBVKSZRMU-LLVKDONJSA-N 0 3 350.488 2.489 20 30 FEEDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415503066 559244340 /nfs/dbraw/zinc/24/43/40/559244340.db2.gz UKVSCYOCMGHHBA-LBPRGKRZSA-N 0 3 356.348 2.149 20 30 FEEDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnn(C)c1C#N ZINC000527251303 562282414 /nfs/dbraw/zinc/28/24/14/562282414.db2.gz BUIGKOGWNVXGSX-INIZCTEOSA-N 0 3 367.453 2.124 20 30 FEEDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416477492 559316182 /nfs/dbraw/zinc/31/61/82/559316182.db2.gz UCIPGJDGTGORLR-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416481156 559316294 /nfs/dbraw/zinc/31/62/94/559316294.db2.gz BGDOPPDATHXHKW-LLVKDONJSA-N 0 3 374.304 2.328 20 30 FEEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418456867 559402345 /nfs/dbraw/zinc/40/23/45/559402345.db2.gz UOCOHJLMHGMMAY-IBGZPJMESA-N 0 3 352.438 2.416 20 30 FEEDHN N#C[C@H]1CN(C(=O)NC[C@H](N)c2ccccc2)CCN1Cc1ccccc1 ZINC000418456542 559402438 /nfs/dbraw/zinc/40/24/38/559402438.db2.gz TVKXRVFIWRKAJC-PMACEKPBSA-N 0 3 363.465 2.106 20 30 FEEDHN C=CCC[C@H]1NC(=O)N(Cc2ccccc2CN2CCN(CC)CC2)C1=O ZINC000419921762 559464631 /nfs/dbraw/zinc/46/46/31/559464631.db2.gz IPSKAFCNJMHTCD-LJQANCHMSA-N 0 3 370.497 2.211 20 30 FEEDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000420011286 559468759 /nfs/dbraw/zinc/46/87/59/559468759.db2.gz HUFUPHCLCVIGRN-HXUWFJFHSA-N 0 3 368.437 2.178 20 30 FEEDHN C=CCC[C@@H]1NC(=O)N(C[C@@H]2CN(Cc3ccccc3)C[C@H]2OCC)C1=O ZINC000420078805 559471486 /nfs/dbraw/zinc/47/14/86/559471486.db2.gz DFOKASMRNRDKBW-GBESFXJTSA-N 0 3 371.481 2.410 20 30 FEEDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000420447283 559487768 /nfs/dbraw/zinc/48/77/68/559487768.db2.gz IMLFTYXYEDYLQZ-JTQLQIEISA-N 0 3 360.277 2.117 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)C[C@H]1CCCN1C ZINC000420993747 559518233 /nfs/dbraw/zinc/51/82/33/559518233.db2.gz BAJGJCJKGLHVDT-IAGOWNOFSA-N 0 3 358.486 2.356 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000422533837 559593395 /nfs/dbraw/zinc/59/33/95/559593395.db2.gz YDICEMPNFIGICM-FXAWDEMLSA-N 0 3 371.525 2.479 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000422533404 559593447 /nfs/dbraw/zinc/59/34/47/559593447.db2.gz XCIKRXXOLZZZRS-RTBURBONSA-N 0 3 357.498 2.090 20 30 FEEDHN C=CCCCCCN(C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000423346453 559626128 /nfs/dbraw/zinc/62/61/28/559626128.db2.gz PHKNZHCKXMDQCF-ZWKOTPCHSA-N 0 3 361.461 2.284 20 30 FEEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(Br)c1 ZINC000424124619 559655498 /nfs/dbraw/zinc/65/54/98/559655498.db2.gz MMWIENWHXCGVLG-RISCZKNCSA-N 0 3 354.248 2.354 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000424139829 559655993 /nfs/dbraw/zinc/65/59/93/559655993.db2.gz FNVDNYFRZSLODN-DYVFJYSZSA-N 0 3 350.413 2.067 20 30 FEEDHN C=CCn1cc(CNCc2ccccc2N2CCN(CCC)CC2)nn1 ZINC000424176122 559656722 /nfs/dbraw/zinc/65/67/22/559656722.db2.gz WRQHTEWWLSHJBW-UHFFFAOYSA-N 0 3 354.502 2.286 20 30 FEEDHN COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](N)CCCC#N)CCN2C2CC2)c1 ZINC000424177939 559656727 /nfs/dbraw/zinc/65/67/27/559656727.db2.gz VNHYXVXBFZTGNS-CEXWTWQISA-N 0 3 356.470 2.110 20 30 FEEDHN CC(C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)S(C)(=O)=O ZINC000425090681 559686874 /nfs/dbraw/zinc/68/68/74/559686874.db2.gz VINJAKCZDVPZIW-QWRGUYRKSA-N 0 3 362.373 2.379 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)nn1 ZINC000425395643 559700051 /nfs/dbraw/zinc/70/00/51/559700051.db2.gz NTZYCRAEVHAUDI-SFHVURJKSA-N 0 3 354.458 2.100 20 30 FEEDHN N#Cc1ccc(NC(=O)CN[C@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425545939 559709021 /nfs/dbraw/zinc/70/90/21/559709021.db2.gz RLACAFPCUWQXTR-LJQANCHMSA-N 0 3 357.454 2.044 20 30 FEEDHN C[C@H](NC(C)(C)CNS(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428246127 559772174 /nfs/dbraw/zinc/77/21/74/559772174.db2.gz NLDPCBZXFLXDRL-AWEZNQCLSA-N 0 3 358.467 2.361 20 30 FEEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000430742547 559827549 /nfs/dbraw/zinc/82/75/49/559827549.db2.gz PCZCPJIZYWFHDK-OAHLLOKOSA-N 0 3 363.483 2.052 20 30 FEEDHN C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccc(Br)cc1[O-] ZINC000432778142 559864442 /nfs/dbraw/zinc/86/44/42/559864442.db2.gz GIUBDZIGRWWMOA-UHFFFAOYSA-N 0 3 368.275 2.391 20 30 FEEDHN N#CCCC[C@H](NCC(=O)NC(=O)NCC(F)(F)F)c1ccccc1 ZINC000433018521 559870004 /nfs/dbraw/zinc/87/00/04/559870004.db2.gz DTYPQOIJUUBILE-ZDUSSCGKSA-N 0 3 356.348 2.399 20 30 FEEDHN CC(C#N)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000433245894 559874655 /nfs/dbraw/zinc/87/46/55/559874655.db2.gz JYFDHGBCGYVUGL-LLVKDONJSA-N 0 3 352.232 2.062 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccnc1N1CCOCC1 ZINC000433227972 559874319 /nfs/dbraw/zinc/87/43/19/559874319.db2.gz UURJJCKUHLTEQU-GOSISDBHSA-N 0 3 364.449 2.307 20 30 FEEDHN CC[C@H]1CN(CCNCc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000433342099 559877579 /nfs/dbraw/zinc/87/75/79/559877579.db2.gz VACRWUHUDRWJQZ-IBGZPJMESA-N 0 3 368.485 2.059 20 30 FEEDHN CCN(C(=O)C(C#N)CCc1ccccc1)[C@H](C)CS(=O)(=O)CC ZINC000433352091 559878030 /nfs/dbraw/zinc/87/80/30/559878030.db2.gz HJNVZRNAUKJIGO-WBVHZDCISA-N 0 3 350.484 2.431 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000433606007 559884875 /nfs/dbraw/zinc/88/48/75/559884875.db2.gz FHEWKXKHSWMRRB-UKRRQHHQSA-N 0 3 363.424 2.372 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)CC1 ZINC000433691228 559886308 /nfs/dbraw/zinc/88/63/08/559886308.db2.gz YLTZDDMUPFTVQD-UHFFFAOYSA-N 0 3 360.458 2.345 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N(C)CC3(N(C)C)CCC3)cc2C1=O ZINC000438591017 559980992 /nfs/dbraw/zinc/98/09/92/559980992.db2.gz KSYVAXUEBIZCCA-UHFFFAOYSA-N 0 3 355.438 2.025 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000443357940 560081802 /nfs/dbraw/zinc/08/18/02/560081802.db2.gz FOBMNRIMZAKIFE-MJBXVCDLSA-N 0 3 353.463 2.342 20 30 FEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000448321749 560184157 /nfs/dbraw/zinc/18/41/57/560184157.db2.gz NPRAMKLOMLNOCF-HNNXBMFYSA-N 0 3 362.861 2.387 20 30 FEEDHN Cn1c(C#N)ccc1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000448677213 560193651 /nfs/dbraw/zinc/19/36/51/560193651.db2.gz LJHNWVKOMHKDEI-FQEVSTJZSA-N 0 3 365.481 2.005 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)CC1 ZINC000527768550 562303213 /nfs/dbraw/zinc/30/32/13/562303213.db2.gz PBJLWPOZHUCDIO-IBGZPJMESA-N 0 3 372.513 2.219 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448883344 560204717 /nfs/dbraw/zinc/20/47/17/560204717.db2.gz QPQUJDGVJQFUKI-GDBMZVCRSA-N 0 3 374.872 2.117 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000448921836 560206877 /nfs/dbraw/zinc/20/68/77/560206877.db2.gz OUNYBAXRSQITOU-UHFFFAOYSA-N 0 3 365.424 2.182 20 30 FEEDHN CCN(CCNC(=O)COc1cccc(Br)c1C#N)C1CC1 ZINC000449838849 560241953 /nfs/dbraw/zinc/24/19/53/560241953.db2.gz JDUPRBXODPEHEG-UHFFFAOYSA-N 0 3 366.259 2.300 20 30 FEEDHN CCCCO[C@H]1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C ZINC000450964094 560280203 /nfs/dbraw/zinc/28/02/03/560280203.db2.gz CSTHIIKRYGAEMA-HOTGVXAUSA-N 0 3 365.499 2.300 20 30 FEEDHN N#CCc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c(Cl)c1 ZINC000451052897 560284763 /nfs/dbraw/zinc/28/47/63/560284763.db2.gz FZOWOMWWGPSLBJ-GJZGRUSLSA-N 0 3 353.875 2.311 20 30 FEEDHN CN(CCCNC(=O)C(=O)Nc1cccc(CC#N)c1)Cc1ccccc1 ZINC000453585635 560389884 /nfs/dbraw/zinc/38/98/84/560389884.db2.gz QGRGLCFVMZJHEI-UHFFFAOYSA-N 0 3 364.449 2.329 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000453614893 560391400 /nfs/dbraw/zinc/39/14/00/560391400.db2.gz PVGSLFRYDCGJCG-HRCADAONSA-N 0 3 356.470 2.288 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)N(C)Cc1ccccc1 ZINC000453672239 560395502 /nfs/dbraw/zinc/39/55/02/560395502.db2.gz LKOKGCJELHEKQG-INIZCTEOSA-N 0 3 364.449 2.328 20 30 FEEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453706835 560398378 /nfs/dbraw/zinc/39/83/78/560398378.db2.gz GHSHYDGFBHGVAX-TZMCWYRMSA-N 0 3 360.845 2.040 20 30 FEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453805069 560405159 /nfs/dbraw/zinc/40/51/59/560405159.db2.gz JONRQVNZXWQTCK-SFHVURJKSA-N 0 3 356.470 2.318 20 30 FEEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000454711104 560455235 /nfs/dbraw/zinc/45/52/35/560455235.db2.gz JBRGFXCWWXTJLW-CYBMUJFWSA-N 0 3 368.384 2.128 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)NCc2ccc(C#N)c(F)c2)ccn1 ZINC000454721583 560455594 /nfs/dbraw/zinc/45/55/94/560455594.db2.gz ALTKVWVINPIHRP-UHFFFAOYSA-N 0 3 371.416 2.032 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000455949286 560501622 /nfs/dbraw/zinc/50/16/22/560501622.db2.gz CSOZTDJXVLFCOF-LPHOPBHVSA-N 0 3 355.486 2.356 20 30 FEEDHN CC1(C)CCCN1CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000457056421 560546204 /nfs/dbraw/zinc/54/62/04/560546204.db2.gz NWDUDRFTAZTODD-GOSISDBHSA-N 0 3 368.481 2.040 20 30 FEEDHN C[C@@H](C(=O)NCc1ccnc(OCCN(C)C)c1)c1cccc(C#N)c1 ZINC000462267025 560803577 /nfs/dbraw/zinc/80/35/77/560803577.db2.gz GOFSCQBFGCEFPT-OAHLLOKOSA-N 0 3 352.438 2.314 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000463574592 560819138 /nfs/dbraw/zinc/81/91/38/560819138.db2.gz OXKIZFSQBXXZKM-SFHVURJKSA-N 0 3 350.484 2.427 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C ZINC000464420364 560841351 /nfs/dbraw/zinc/84/13/51/560841351.db2.gz PTEPWNAPEQHZRI-DZGCQCFKSA-N 0 3 351.472 2.060 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000467098788 560903571 /nfs/dbraw/zinc/90/35/71/560903571.db2.gz AQXQYSPKDNVFMA-QGZVFWFLSA-N 0 3 351.454 2.292 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ncnn2-c2ccccc2)cc1 ZINC000467922805 560919786 /nfs/dbraw/zinc/91/97/86/560919786.db2.gz LGIJTSINNJWYTO-KRWDZBQOSA-N 0 3 356.389 2.138 20 30 FEEDHN N#CCCCn1cc(C(=O)NCC2CCN(CCO)CC2)c2ccccc21 ZINC000469737578 560963262 /nfs/dbraw/zinc/96/32/62/560963262.db2.gz QVBNELPYFJWVLF-UHFFFAOYSA-N 0 3 368.481 2.379 20 30 FEEDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C ZINC000469998848 560971342 /nfs/dbraw/zinc/97/13/42/560971342.db2.gz HVHJGAIMBUUTPC-NEPJUHHUSA-N 0 3 361.467 2.320 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](C(=O)OC)[C@@H]2C)c(OC)c1 ZINC000470003327 560971683 /nfs/dbraw/zinc/97/16/83/560971683.db2.gz QDWLDBROGJTMDG-USXIJHARSA-N 0 3 363.454 2.047 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000470746830 560988542 /nfs/dbraw/zinc/98/85/42/560988542.db2.gz VTNGAGYXGKUNKE-SFHVURJKSA-N 0 3 361.401 2.371 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc(-c3ccncc3)no2)cc1 ZINC000470967763 560995375 /nfs/dbraw/zinc/99/53/75/560995375.db2.gz MTIXORMJEOCNTB-INIZCTEOSA-N 0 3 358.361 2.002 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCOCC2CCOCC2)cc1 ZINC000470977445 560995697 /nfs/dbraw/zinc/99/56/97/560995697.db2.gz WDSUQYYNSQUVQA-LJQANCHMSA-N 0 3 355.438 2.190 20 30 FEEDHN Cc1ccnc(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)c1 ZINC000471052895 560997106 /nfs/dbraw/zinc/99/71/06/560997106.db2.gz KYBVEBKAUKVITO-IBGZPJMESA-N 0 3 359.433 2.293 20 30 FEEDHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000473506722 561051567 /nfs/dbraw/zinc/05/15/67/561051567.db2.gz NOXOYDFCBBZBOG-MOPGFXCFSA-N 0 3 369.513 2.421 20 30 FEEDHN COC(=O)C1CCN(CCCNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000474905939 561085198 /nfs/dbraw/zinc/08/51/98/561085198.db2.gz MEYAWTYKXKGQRP-LJQANCHMSA-N 0 3 371.481 2.465 20 30 FEEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000475530826 561099491 /nfs/dbraw/zinc/09/94/91/561099491.db2.gz OTSRPZPVPVBNHD-OALUTQOASA-N 0 3 370.497 2.133 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCc2ccc(C)cc2C)CC1 ZINC000476445692 561119614 /nfs/dbraw/zinc/11/96/14/561119614.db2.gz XFAYXBPARKNUAU-UHFFFAOYSA-N 0 3 357.498 2.119 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@@H]3CCN3C3CCCC3)C2)nc1 ZINC000528294609 562321439 /nfs/dbraw/zinc/32/14/39/562321439.db2.gz LLSBXIWRADXJOA-ROUUACIJSA-N 0 3 369.469 2.133 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000528479155 562331567 /nfs/dbraw/zinc/33/15/67/562331567.db2.gz VQBPOWASPYEBLW-IPMKNSEASA-N 0 3 364.445 2.223 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000531044475 562432656 /nfs/dbraw/zinc/43/26/56/562432656.db2.gz NCVGWPGHHKKQLT-HUUCEWRRSA-N 0 3 374.510 2.477 20 30 FEEDHN N#Cc1cccc(NC(=O)C2CCN(CCOC[C@@H]3CCCO3)CC2)c1 ZINC000533038262 562496423 /nfs/dbraw/zinc/49/64/23/562496423.db2.gz MXNIKKRZKQFVGP-IBGZPJMESA-N 0 3 357.454 2.404 20 30 FEEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000533308579 562504701 /nfs/dbraw/zinc/50/47/01/562504701.db2.gz DBNVGSZSTMRRND-UHFFFAOYSA-N 0 3 354.372 2.284 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000546005637 562632557 /nfs/dbraw/zinc/63/25/57/562632557.db2.gz SVMJJQDDWGKQHL-MAUKXSAKSA-N 0 3 371.485 2.057 20 30 FEEDHN N#CC(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccncn1 ZINC000546154466 562634398 /nfs/dbraw/zinc/63/43/98/562634398.db2.gz YGPOJGUHVONNRX-INIZCTEOSA-N 0 3 372.340 2.356 20 30 FEEDHN CN1CCC(n2cc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cn2)CC1 ZINC000601778588 567839148 /nfs/dbraw/zinc/83/91/48/567839148.db2.gz NORVCLATIHVDNI-KRWDZBQOSA-N 0 3 362.437 2.342 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)NC3(C#N)CCCCC3)ccc2[nH]c1=O ZINC000602085877 567921241 /nfs/dbraw/zinc/92/12/41/567921241.db2.gz KOZHYFCRLLOFNQ-UHFFFAOYSA-N 0 3 355.442 2.260 20 30 FEEDHN N#CCCN1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000602210232 567952950 /nfs/dbraw/zinc/95/29/50/567952950.db2.gz NEOBWIYGSJYSFU-GOSISDBHSA-N 0 3 358.461 2.096 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000602514925 567989786 /nfs/dbraw/zinc/98/97/86/567989786.db2.gz MUTCUPBSFRNXJX-SJORKVTESA-N 0 3 358.486 2.495 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000602552443 567990850 /nfs/dbraw/zinc/99/08/50/567990850.db2.gz WVUWICAXVXXEOO-ZWKOTPCHSA-N 0 3 371.481 2.355 20 30 FEEDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602572250 567996208 /nfs/dbraw/zinc/99/62/08/567996208.db2.gz DJLCZWXEMYWCRJ-WAOWUJCRSA-N 0 3 353.466 2.170 20 30 FEEDHN C[C@@H]1CN(CCCCCn2nnc(-c3ccccc3)n2)C[C@@H](C)N1CC#N ZINC000602858807 568003073 /nfs/dbraw/zinc/00/30/73/568003073.db2.gz VHVBZZZFDYVOKJ-QZTJIDSGSA-N 0 3 367.501 2.429 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000602918573 568012832 /nfs/dbraw/zinc/01/28/32/568012832.db2.gz SWXZTGPKMGYMDO-DFBGVHRSSA-N 0 3 351.834 2.160 20 30 FEEDHN N#Cc1ccc(C2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)nc1 ZINC000602906642 568016574 /nfs/dbraw/zinc/01/65/74/568016574.db2.gz LPNIMEPJXRGWOR-SFHVURJKSA-N 0 3 354.454 2.204 20 30 FEEDHN Cn1cc([C@@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1 ZINC000568468359 568041511 /nfs/dbraw/zinc/04/15/11/568041511.db2.gz VYEUQALHOKRWCE-HKUYNNGSSA-N 0 3 354.454 2.157 20 30 FEEDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000330275407 568083046 /nfs/dbraw/zinc/08/30/46/568083046.db2.gz LLRMJFKJVZIBGW-CEXWTWQISA-N 0 3 359.470 2.055 20 30 FEEDHN CCCCN1CCC(NS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000569163311 568301073 /nfs/dbraw/zinc/30/10/73/568301073.db2.gz BGWWPSUKEXGTAE-UHFFFAOYSA-N 0 3 353.463 2.381 20 30 FEEDHN COc1cc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)ccc1C#N ZINC000558483486 674499416 /nfs/dbraw/zinc/49/94/16/674499416.db2.gz SKNKWTWDWZBMOX-UHFFFAOYSA-N 0 3 359.451 2.107 20 30 FEEDHN C=CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CC1 ZINC000823904018 608267125 /nfs/dbraw/zinc/26/71/25/608267125.db2.gz RJGRLQLWTBWHRX-UHFFFAOYSA-N 0 3 358.471 2.396 20 30 FEEDHN C=CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CC1 ZINC000823904018 608267127 /nfs/dbraw/zinc/26/71/27/608267127.db2.gz RJGRLQLWTBWHRX-UHFFFAOYSA-N 0 3 358.471 2.396 20 30 FEEDHN C=CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C1CC1 ZINC000823904018 608267129 /nfs/dbraw/zinc/26/71/29/608267129.db2.gz RJGRLQLWTBWHRX-UHFFFAOYSA-N 0 3 358.471 2.396 20 30 FEEDHN C=CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C1CC1 ZINC000823904018 608267130 /nfs/dbraw/zinc/26/71/30/608267130.db2.gz RJGRLQLWTBWHRX-UHFFFAOYSA-N 0 3 358.471 2.396 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584692 608490778 /nfs/dbraw/zinc/49/07/78/608490778.db2.gz DYRDDVFRWYHIII-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584692 608490780 /nfs/dbraw/zinc/49/07/80/608490780.db2.gz DYRDDVFRWYHIII-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000815082971 674913949 /nfs/dbraw/zinc/91/39/49/674913949.db2.gz JTBSABKDCXVHQM-UHFFFAOYSA-N 0 3 359.495 2.139 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)/C=C/c1ccccc1Br ZINC000815082962 674914019 /nfs/dbraw/zinc/91/40/19/674914019.db2.gz JPMMDRAGEZYECW-UKTHLTGXSA-N 0 3 371.300 2.294 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(Cc3c(C)nsc3C)C[C@H]2C1 ZINC001049069739 675022367 /nfs/dbraw/zinc/02/23/67/675022367.db2.gz OOFUCKSHTJVOKY-HPFXQQBRSA-N 0 3 361.511 2.241 20 30 FEEDHN CS(=O)(=O)CCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000108937945 670834265 /nfs/dbraw/zinc/83/42/65/670834265.db2.gz JHUOOVGPQYRXAK-HNNXBMFYSA-N 0 3 358.419 2.312 20 30 FEEDHN O=C(NCCNCc1cnc(-c2ccccc2)s1)C1N=CC=CC1=O ZINC000113360984 670883945 /nfs/dbraw/zinc/88/39/45/670883945.db2.gz RKXWXPDPBKSXNX-MSUUIHNZSA-N 0 3 354.435 2.426 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@@H+]2CC2CCCCC2)o1 ZINC000576969776 671408073 /nfs/dbraw/zinc/40/80/73/671408073.db2.gz RVNPUZDYSRLPEO-OAHLLOKOSA-N 0 3 351.472 2.474 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@H+]2CC2CCCCC2)o1 ZINC000576969776 671408074 /nfs/dbraw/zinc/40/80/74/671408074.db2.gz RVNPUZDYSRLPEO-OAHLLOKOSA-N 0 3 351.472 2.474 20 30 FEEDHN N#CC(C(=O)COc1cccc(Br)c1)C(=O)N1CCCC1 ZINC000124415966 671997107 /nfs/dbraw/zinc/99/71/07/671997107.db2.gz WVYAZWYLUFUXJL-ZDUSSCGKSA-N 0 3 351.200 2.159 20 30 FEEDHN Cc1ccc(C(=O)CCC(=O)CCC(=O)C(C#N)C(=O)NC2CC2)s1 ZINC000129582709 672064025 /nfs/dbraw/zinc/06/40/25/672064025.db2.gz UJSITQFLHCCBLA-CQSZACIVSA-N 0 3 360.435 2.356 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000171907829 672337498 /nfs/dbraw/zinc/33/74/98/672337498.db2.gz OHJAALHPAGHURJ-AWEZNQCLSA-N 0 3 354.495 2.191 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000173938601 672355897 /nfs/dbraw/zinc/35/58/97/672355897.db2.gz FCZHHJOLFXMGFM-GFCCVEGCSA-N 0 3 362.455 2.233 20 30 FEEDHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)[C@@H]2C1 ZINC000590278492 672569521 /nfs/dbraw/zinc/56/95/21/672569521.db2.gz LGEHGXVICQYBSZ-SMDDNHRTSA-N 0 3 360.483 2.018 20 30 FEEDHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000682095394 672735541 /nfs/dbraw/zinc/73/55/41/672735541.db2.gz HAHQCSKBFQFAAQ-UHFFFAOYSA-N 0 3 355.463 2.106 20 30 FEEDHN COc1cc(NC(=O)CCN2CC[C@](O)(CC#N)C2)c(OC)cc1Cl ZINC000592152518 672764767 /nfs/dbraw/zinc/76/47/67/672764767.db2.gz YNZXAVMCEQZDEJ-QGZVFWFLSA-N 0 3 367.833 2.036 20 30 FEEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC23CCCC3)CC1 ZINC000593039394 672867198 /nfs/dbraw/zinc/86/71/98/672867198.db2.gz RYSMEFSYWCNRAY-INIZCTEOSA-N 0 3 358.511 2.475 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Br)sc1C ZINC000327982595 673062468 /nfs/dbraw/zinc/06/24/68/673062468.db2.gz JDJIOCHQANDXEA-UHFFFAOYSA-N 0 3 365.318 2.052 20 30 FEEDHN CN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000594433916 673071317 /nfs/dbraw/zinc/07/13/17/673071317.db2.gz IWXSQVQTKSEZLQ-GDBMZVCRSA-N 0 3 362.861 2.315 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000594438960 673071970 /nfs/dbraw/zinc/07/19/70/673071970.db2.gz RISLWNCFAPGCLB-SUMWQHHRSA-N 0 3 350.413 2.319 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809209 673091643 /nfs/dbraw/zinc/09/16/43/673091643.db2.gz IUJWINKNWSZSMR-JKSUJKDBSA-N 0 3 351.491 2.422 20 30 FEEDHN COC(=O)[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000728928045 673215638 /nfs/dbraw/zinc/21/56/38/673215638.db2.gz KXUCYIWJLIKLIY-QWHCGFSZSA-N 0 3 357.435 2.358 20 30 FEEDHN CNC(=O)[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729471129 673235937 /nfs/dbraw/zinc/23/59/37/673235937.db2.gz UOWHGKPYBGFGNA-OCCSQVGLSA-N 0 3 356.451 2.073 20 30 FEEDHN COC(=O)NCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000730919505 673295409 /nfs/dbraw/zinc/29/54/09/673295409.db2.gz DQUUVRQTCFAXGA-LLVKDONJSA-N 0 3 367.789 2.132 20 30 FEEDHN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000730919924 673295433 /nfs/dbraw/zinc/29/54/33/673295433.db2.gz HAVYRAHXYXLUFO-JTQLQIEISA-N 0 3 354.815 2.284 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](CO)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000613389982 676127127 /nfs/dbraw/zinc/12/71/27/676127127.db2.gz OMMWELGWFBFQPW-BEFAXECRSA-N 0 3 358.463 2.086 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](CO)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000613390101 676127159 /nfs/dbraw/zinc/12/71/59/676127159.db2.gz WPLIHNZGJDUVPU-BEFAXECRSA-N 0 3 358.463 2.086 20 30 FEEDHN CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H]1CC1(C)C ZINC000595910944 673337387 /nfs/dbraw/zinc/33/73/87/673337387.db2.gz UTJURRNTZBSBJD-CVEARBPZSA-N 0 3 360.527 2.435 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@@H]1N1CCCC1 ZINC000597507688 673483281 /nfs/dbraw/zinc/48/32/81/673483281.db2.gz RSPADOGTUDGTQI-HOTGVXAUSA-N 0 3 351.422 2.488 20 30 FEEDHN C[C@@H]1[C@H](C)[S@@](=O)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736629566 673535078 /nfs/dbraw/zinc/53/50/78/673535078.db2.gz RGXUIQPNCFYYCD-PSCWRXBVSA-N 0 3 361.492 2.314 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000542762954 673603352 /nfs/dbraw/zinc/60/33/52/673603352.db2.gz MNQLXKZMWOSOMW-KRWDZBQOSA-N 0 3 360.889 2.452 20 30 FEEDHN CC[C@@](C)(C(=O)OC)N(C[C@@H](O)CC1(C#N)CCOCC1)CC1CC1 ZINC000599439918 673675801 /nfs/dbraw/zinc/67/58/01/673675801.db2.gz JHIUNJJHHRIXQF-WMZOPIPTSA-N 0 3 352.475 2.111 20 30 FEEDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000601422770 673860137 /nfs/dbraw/zinc/86/01/37/673860137.db2.gz YNHWRLQVGRTGJK-MFKMUULPSA-N 0 3 372.288 2.034 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)Nc1cc(C#N)c(Br)cn1 ZINC000603345231 673925553 /nfs/dbraw/zinc/92/55/53/673925553.db2.gz ZIYHOOITRKHMLW-LBPRGKRZSA-N 0 3 352.280 2.154 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H](CO)CC2CCCC2)c1 ZINC000566915310 675252655 /nfs/dbraw/zinc/25/26/55/675252655.db2.gz HXPNPJHSLXKGLJ-QGZVFWFLSA-N 0 3 350.484 2.110 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000819198905 675269209 /nfs/dbraw/zinc/26/92/09/675269209.db2.gz VOMXNDVIHNDOJC-PMPSAXMXSA-N 0 3 368.549 2.301 20 30 FEEDHN O[C@@H](CNCC#Cc1cccc(C(F)(F)F)c1)COC1CCOCC1 ZINC000644515379 677245004 /nfs/dbraw/zinc/24/50/04/677245004.db2.gz RSJOKGKJWHWLLN-INIZCTEOSA-N 0 3 357.372 2.203 20 30 FEEDHN C=CCN1CCC(NC(=O)NCC2(CC(=O)NC)CCCCC2)CC1 ZINC000660705931 678376428 /nfs/dbraw/zinc/37/64/28/678376428.db2.gz XUTKCIMWFRAEBK-UHFFFAOYSA-N 0 3 350.507 2.023 20 30 FEEDHN C=CCN(CC(=O)NCC1(N2CCOCC2)CCCCC1)C(C)(C)C ZINC000661755627 678530115 /nfs/dbraw/zinc/53/01/15/678530115.db2.gz OAZNLAJYNWMXTE-UHFFFAOYSA-N 0 3 351.535 2.424 20 30 FEEDHN C=CCN1CCC(NC(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662449328 678622378 /nfs/dbraw/zinc/62/23/78/678622378.db2.gz XXBGMTDCIGNKHZ-UHFFFAOYSA-N 0 3 370.316 2.494 20 30 FEEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCOC2(CNC2)C1 ZINC000663488333 678746617 /nfs/dbraw/zinc/74/66/17/678746617.db2.gz SNPSAUPFTZGXSB-UHFFFAOYSA-N 0 3 356.344 2.085 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000748001957 679919671 /nfs/dbraw/zinc/91/96/71/679919671.db2.gz UKXILNVYKYNMKL-SJKOYZFVSA-N 0 3 352.837 2.362 20 30 FEEDHN C#CCNC(=O)C1CCN(Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000752283059 680234009 /nfs/dbraw/zinc/23/40/09/680234009.db2.gz QKXMUZMULHZJAA-UHFFFAOYSA-N 0 3 359.495 2.422 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)Cc1scnc1-c1ccccc1 ZINC000835056316 680291981 /nfs/dbraw/zinc/29/19/81/680291981.db2.gz DRSHHQKUENWQJI-CQSZACIVSA-N 0 3 357.435 2.214 20 30 FEEDHN C=C(Br)CNC1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC000997025702 680346105 /nfs/dbraw/zinc/34/61/05/680346105.db2.gz JVGMRUYTSOJBAY-LSDHHAIUSA-N 0 3 367.291 2.013 20 30 FEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC000998926947 680391692 /nfs/dbraw/zinc/39/16/92/680391692.db2.gz ZPSVMEZYEDHQCO-QDIHITRGSA-N 0 3 366.893 2.219 20 30 FEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC000999442749 680403691 /nfs/dbraw/zinc/40/36/91/680403691.db2.gz MDEFECGEXLZXPB-PFSRBDOWSA-N 0 3 367.291 2.011 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001033836754 680426042 /nfs/dbraw/zinc/42/60/42/680426042.db2.gz JJRCIJUXNABYAZ-QRQLOZEOSA-N 0 3 350.503 2.460 20 30 FEEDHN COC(=O)[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000756007352 680453014 /nfs/dbraw/zinc/45/30/14/680453014.db2.gz GURKQHCTPSQHFI-FRRDWIJNSA-N 0 3 357.435 2.213 20 30 FEEDHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043353496 680576757 /nfs/dbraw/zinc/57/67/57/680576757.db2.gz ANQANDQCGVDBHN-GHMZBOCLSA-N 0 3 367.906 2.411 20 30 FEEDHN C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000759987162 680673917 /nfs/dbraw/zinc/67/39/17/680673917.db2.gz ULIJKJGKYXJOGV-ZBFHGGJFSA-N 0 3 351.447 2.347 20 30 FEEDHN C[C@@H](C[C@H](O)c1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000843090250 680987083 /nfs/dbraw/zinc/98/70/83/680987083.db2.gz VPBBKWQNGDYQDY-KXBFYZLASA-N 0 3 358.463 2.434 20 30 FEEDHN CNC(=O)CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943212 681332076 /nfs/dbraw/zinc/33/20/76/681332076.db2.gz JGXDOTBNIXEDCZ-BQBZGAKWSA-N 0 3 354.241 2.225 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC1 ZINC000776222366 681373975 /nfs/dbraw/zinc/37/39/75/681373975.db2.gz DSGDYSKWJSHZGE-UHFFFAOYSA-N 0 3 370.421 2.311 20 30 FEEDHN CCCCCC[C@](O)(CN1CCC2(CC1)CC(=O)C=CO2)C(=O)OC ZINC000933645364 681445223 /nfs/dbraw/zinc/44/52/23/681445223.db2.gz MWWSPWIISFQJBN-IBGZPJMESA-N 0 3 353.459 2.199 20 30 FEEDHN CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000934192822 681523133 /nfs/dbraw/zinc/52/31/33/681523133.db2.gz BYVBVXIRTCKSCJ-IAGOWNOFSA-N 0 3 362.495 2.086 20 30 FEEDHN CN(C)S(=O)(=O)c1ccc(N=NC2CCCN3CCCC[C@H]23)cc1 ZINC000848410483 681536415 /nfs/dbraw/zinc/53/64/15/681536415.db2.gz POBSCAZXWUPKCU-QGZVFWFLSA-N 0 3 350.488 2.353 20 30 FEEDHN CC(C)(C#N)CS(=O)(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000913938851 685489535 /nfs/dbraw/zinc/48/95/35/685489535.db2.gz JJVGSWKSFXDPTK-UHFFFAOYSA-N 0 3 361.511 2.389 20 30 FEEDHN COCCn1cc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)c(C)n1 ZINC000782580886 682060232 /nfs/dbraw/zinc/06/02/32/682060232.db2.gz CDXCSXYRBUKMAG-LBPRGKRZSA-N 0 3 360.801 2.453 20 30 FEEDHN C#CCN(C(=O)NCc1noc(-c2cccs2)n1)C1CCN(C)CC1 ZINC000915210266 685513148 /nfs/dbraw/zinc/51/31/48/685513148.db2.gz AIDKLGACJXHNFM-UHFFFAOYSA-N 0 3 359.455 2.037 20 30 FEEDHN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000915841922 685518829 /nfs/dbraw/zinc/51/88/29/685518829.db2.gz AODYAJJRBOKSCB-CYBMUJFWSA-N 0 3 353.513 2.256 20 30 FEEDHN C#C[C@@](C)(CC)NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000852099949 682219869 /nfs/dbraw/zinc/21/98/69/682219869.db2.gz RVESGDZNKFFFSH-KRWDZBQOSA-N 0 3 369.296 2.429 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)CCn2cc(Cl)cn2)C1 ZINC000971558670 682359127 /nfs/dbraw/zinc/35/91/27/682359127.db2.gz DGYUDERPPDNBHL-BBWFWOEESA-N 0 3 366.893 2.050 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000856133134 682744931 /nfs/dbraw/zinc/74/49/31/682744931.db2.gz ODNZJLMPQXVFFW-MRXNPFEDSA-N 0 3 355.265 2.488 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956584 683407931 /nfs/dbraw/zinc/40/79/31/683407931.db2.gz DTBBUXFWLBOCET-JKSUJKDBSA-N 0 3 351.491 2.352 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(C(=O)OC)cnc2Cl)CC1 ZINC000861536572 683431890 /nfs/dbraw/zinc/43/18/90/683431890.db2.gz YKUNBMLIQMYDCC-UHFFFAOYSA-N 0 3 352.822 2.294 20 30 FEEDHN C#CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C)CC1 ZINC000921419764 683464004 /nfs/dbraw/zinc/46/40/04/683464004.db2.gz MAPOCLBVGPAKSQ-UHFFFAOYSA-N 0 3 364.833 2.487 20 30 FEEDHN Cc1cc(NN=C(c2ccc(Cl)c(S(N)(=O)=O)c2)C2CC2)ccn1 ZINC000863159486 683682257 /nfs/dbraw/zinc/68/22/57/683682257.db2.gz TWMUSPHFLAOSIM-UHFFFAOYSA-N 0 3 364.858 2.339 20 30 FEEDHN Cn1nccc1[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCC(=O)N1C1CC1 ZINC000922520252 683740149 /nfs/dbraw/zinc/74/01/49/683740149.db2.gz JLAANLDLRNMUNV-YJBOKZPZSA-N 0 3 355.467 2.338 20 30 FEEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000865919271 684045401 /nfs/dbraw/zinc/04/54/01/684045401.db2.gz DDSYGRWEKNJARU-QWQRMKEZSA-N 0 3 352.479 2.030 20 30 FEEDHN CCC(=O)c1cccc(C#N)c1OS(=O)(=O)CCCN1CCCC1 ZINC000867622858 684335397 /nfs/dbraw/zinc/33/53/97/684335397.db2.gz IOCLZIVPRSCRBC-UHFFFAOYSA-N 0 3 350.440 2.345 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](C2OCCO2)C1 ZINC000932003598 684386685 /nfs/dbraw/zinc/38/66/85/684386685.db2.gz WRXKTQZTDKQVNO-HUUCEWRRSA-N 0 3 350.484 2.346 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000867997065 684436932 /nfs/dbraw/zinc/43/69/32/684436932.db2.gz AGYPIYKQAILGMT-LLVKDONJSA-N 0 3 357.380 2.266 20 30 FEEDHN C=C(Cl)C[C@@H](N)c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000872178281 684924895 /nfs/dbraw/zinc/92/48/95/684924895.db2.gz UIACEPHLFBXTJH-CQSZACIVSA-N 0 3 362.865 2.416 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000876708473 686249008 /nfs/dbraw/zinc/24/90/08/686249008.db2.gz RGHAZAWWHHFWAV-GFCCVEGCSA-N 0 3 350.875 2.415 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000876873944 686285481 /nfs/dbraw/zinc/28/54/81/686285481.db2.gz VVJUHKZSQYPPIE-QGZVFWFLSA-N 0 3 351.878 2.199 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000877011086 686309848 /nfs/dbraw/zinc/30/98/48/686309848.db2.gz WLDPXAJMBIGPMP-NSHDSACASA-N 0 3 357.863 2.106 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000877259661 686344378 /nfs/dbraw/zinc/34/43/78/686344378.db2.gz WCUBTELWEROZMD-JOYOIKCWSA-N 0 3 359.651 2.339 20 30 FEEDHN C#CCC1(O)CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000880479234 687052524 /nfs/dbraw/zinc/05/25/24/687052524.db2.gz MUGPBGYWGLBDDR-OAHLLOKOSA-N 0 3 357.372 2.295 20 30 FEEDHN CN1CCN(CCCCNc2ncc(C#N)cc2Br)CC1 ZINC000881802707 687220762 /nfs/dbraw/zinc/22/07/62/687220762.db2.gz DYEWIXLWYGRYAG-UHFFFAOYSA-N 0 3 352.280 2.155 20 30 FEEDHN C=CCC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000883215786 687588870 /nfs/dbraw/zinc/58/88/70/687588870.db2.gz GCHWEBUPAAYMTG-DLBZAZTESA-N 0 3 368.455 2.472 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCCc1nc3c(s1)CCCC3)C2 ZINC000884122782 687794625 /nfs/dbraw/zinc/79/46/25/687794625.db2.gz ZFSMCZJAFIOZCA-BIWSTMPVSA-N 0 3 358.511 2.210 20 30 FEEDHN C#CCN(C(=O)C[C@H](C)n1cc(Br)cn1)C1CCN(C)CC1 ZINC000886574689 688278249 /nfs/dbraw/zinc/27/82/49/688278249.db2.gz OYUVXEIONWAQFQ-ZDUSSCGKSA-N 0 3 367.291 2.153 20 30 FEEDHN C#CCN(C(=O)CSc1ccc2c(c1)OCCO2)C1CCN(C)CC1 ZINC000886586967 688280335 /nfs/dbraw/zinc/28/03/35/688280335.db2.gz AFYDOFDDCIUNJO-UHFFFAOYSA-N 0 3 360.479 2.106 20 30 FEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888412554 688607106 /nfs/dbraw/zinc/60/71/06/688607106.db2.gz NCRZAVJNDBWGAM-JTQLQIEISA-N 0 3 357.867 2.243 20 30 FEEDHN O=C1[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCN1[O-] ZINC000895161301 689669422 /nfs/dbraw/zinc/66/94/22/689669422.db2.gz FQLSKFHYPFDMJN-INIZCTEOSA-N 0 3 355.841 2.413 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(SCC)cc2)CC1 ZINC000897674606 690060809 /nfs/dbraw/zinc/06/08/09/690060809.db2.gz AXXSPLREUMARIX-UHFFFAOYSA-N 0 3 361.511 2.181 20 30 FEEDHN C=CCN1CCC(NC(=O)Cc2sc(-c3ccn(C)n3)nc2C)CC1 ZINC000900598850 690536654 /nfs/dbraw/zinc/53/66/54/690536654.db2.gz MASZAPBFLIGEPC-UHFFFAOYSA-N 0 3 359.499 2.161 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000499127630 889030986 /nfs/dbraw/zinc/03/09/86/889030986.db2.gz MVMHXYWTRAILSJ-AWEZNQCLSA-N 0 3 353.430 2.005 20 30 FEEDHN N#CC1(CCCOC(=O)C2CC[C@H](C(F)(F)F)NC2=O)CCOCC1 ZINC000800131340 674022810 /nfs/dbraw/zinc/02/28/10/674022810.db2.gz OMXILTFTBUAPTB-VXGBXAGGSA-N 0 3 362.348 2.087 20 30 FEEDHN COc1ccc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1C#N ZINC000359876196 210192862 /nfs/dbraw/zinc/19/28/62/210192862.db2.gz UHFSYADTCKNTQC-INIZCTEOSA-N 0 3 350.422 2.034 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(CCC(C)C)C3CC3)CC2)o1 ZINC000029719669 539862429 /nfs/dbraw/zinc/86/24/29/539862429.db2.gz BIBSWDLYJJKNKM-UHFFFAOYSA-N 0 3 359.474 2.014 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000041855971 540036931 /nfs/dbraw/zinc/03/69/31/540036931.db2.gz FMHXPXPVJUZXSV-GOSISDBHSA-N 0 3 354.454 2.312 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000047011611 540284805 /nfs/dbraw/zinc/28/48/05/540284805.db2.gz OFLFRGLWTSPCMN-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H](C(=O)N3CCCCC3)C2)cc1 ZINC000051557654 540437740 /nfs/dbraw/zinc/43/77/40/540437740.db2.gz YJADKINUSHOORB-RBUKOAKNSA-N 0 3 371.481 2.022 20 30 FEEDHN CC(C)CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(N)=O ZINC000067962951 541533925 /nfs/dbraw/zinc/53/39/25/541533925.db2.gz IDKMMYZXLDWDOD-UHFFFAOYSA-N 0 3 362.499 2.270 20 30 FEEDHN N#CCCCOc1cccc(NC(=O)C(=O)NC2CCN(C3CC3)CC2)c1 ZINC000070864538 541747041 /nfs/dbraw/zinc/74/70/41/541747041.db2.gz GWDDSUDDRHPKDI-UHFFFAOYSA-N 0 3 370.453 2.051 20 30 FEEDHN COCCOC[C@H]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000072796258 541866357 /nfs/dbraw/zinc/86/63/57/541866357.db2.gz GAJSIWJJTBCTDK-NRGCRIOASA-N 0 3 365.518 2.291 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000073437106 541953734 /nfs/dbraw/zinc/95/37/34/541953734.db2.gz QVGXNVZGKFPSPA-UHFFFAOYSA-N 0 3 370.541 2.355 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073496596 541958945 /nfs/dbraw/zinc/95/89/45/541958945.db2.gz WJVYHMUUBHYYQH-LSDHHAIUSA-N 0 3 374.510 2.429 20 30 FEEDHN N#CCSCCCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000074980871 542143518 /nfs/dbraw/zinc/14/35/18/542143518.db2.gz LCQJNPDRUBHZCC-UHFFFAOYSA-N 0 3 359.542 2.138 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)CC1 ZINC000076512932 542288000 /nfs/dbraw/zinc/28/80/00/542288000.db2.gz MNWOQGGSQWEIOF-UHFFFAOYSA-N 0 3 369.469 2.322 20 30 FEEDHN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000077769164 542418368 /nfs/dbraw/zinc/41/83/68/542418368.db2.gz IVOXQZSGDYKGCZ-OAHLLOKOSA-N 0 3 358.486 2.236 20 30 FEEDHN C[C@@H](C#N)CN(C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000080077544 542563257 /nfs/dbraw/zinc/56/32/57/542563257.db2.gz PCRAJYMPHPIGAF-SFHVURJKSA-N 0 3 357.502 2.390 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000087116335 542742099 /nfs/dbraw/zinc/74/20/99/542742099.db2.gz XDSMTLWFXHYUPS-OAHLLOKOSA-N 0 3 364.440 2.493 20 30 FEEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089769304 542769646 /nfs/dbraw/zinc/76/96/46/542769646.db2.gz GKAASAVARMLRJF-LJQANCHMSA-N 0 3 351.450 2.421 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CN(CCc2ccccc2)C(C)=O)CC1 ZINC000090554072 542786145 /nfs/dbraw/zinc/78/61/45/542786145.db2.gz ATHFWAOUHBDGGB-UHFFFAOYSA-N 0 3 357.498 2.234 20 30 FEEDHN CN1CCN(C[C@@H](NCc2cnc3ccc(C#N)cn23)c2ccccc2)CC1 ZINC000092175233 542847546 /nfs/dbraw/zinc/84/75/46/542847546.db2.gz DTGCTHWVURFUMZ-OAQYLSRUSA-N 0 3 374.492 2.284 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000092807679 542887872 /nfs/dbraw/zinc/88/78/72/542887872.db2.gz GGHPHHZLHYGKKW-MRXNPFEDSA-N 0 3 352.442 2.371 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000097166471 543006203 /nfs/dbraw/zinc/00/62/03/543006203.db2.gz RRJSWGPZHVQIFV-JTQLQIEISA-N 0 3 356.494 2.477 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000103163903 543095891 /nfs/dbraw/zinc/09/58/91/543095891.db2.gz UVYIBJAHZFQTTN-LJQANCHMSA-N 0 3 369.490 2.401 20 30 FEEDHN CN(CCN1CCN(C(=O)c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000104437801 543131750 /nfs/dbraw/zinc/13/17/50/543131750.db2.gz ZMTXQIQIYPHLGU-UHFFFAOYSA-N 0 3 362.477 2.448 20 30 FEEDHN C[C@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C1CC1 ZINC000105266110 543167310 /nfs/dbraw/zinc/16/73/10/543167310.db2.gz ZMBMRJXHLYRCFH-QGZVFWFLSA-N 0 3 369.513 2.258 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1 ZINC000106034780 543186481 /nfs/dbraw/zinc/18/64/81/543186481.db2.gz DLNIREIIRAIYSW-QGZVFWFLSA-N 0 3 359.470 2.431 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CSCN2C(=O)CCCC)CC1 ZINC000106034678 543186487 /nfs/dbraw/zinc/18/64/87/543186487.db2.gz JWEBBSVQYCRDKC-INIZCTEOSA-N 0 3 353.532 2.235 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000106319442 543223009 /nfs/dbraw/zinc/22/30/09/543223009.db2.gz PWODLULKPJJYOK-UHFFFAOYSA-N 0 3 374.485 2.316 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)N1CCO[C@H](C#N)C1)c1cccc(OC)c1 ZINC000106329731 543223542 /nfs/dbraw/zinc/22/35/42/543223542.db2.gz CCYFWCDDUFAOTJ-QZTJIDSGSA-N 0 3 360.458 2.012 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000106349016 543224688 /nfs/dbraw/zinc/22/46/88/543224688.db2.gz IMUMMYFUUQHTPL-UHFFFAOYSA-N 0 3 355.360 2.199 20 30 FEEDHN C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)CN1CCN(C)CC1 ZINC000111661165 543410782 /nfs/dbraw/zinc/41/07/82/543410782.db2.gz PARKQAOTZGATPS-SFHVURJKSA-N 0 3 372.513 2.107 20 30 FEEDHN N#CC1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCOCC1 ZINC000112186638 543433374 /nfs/dbraw/zinc/43/33/74/543433374.db2.gz CHOFEAQHQSNKOW-UHFFFAOYSA-N 0 3 351.516 2.175 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccccc1-n1cnnn1)C(C)C ZINC000112919819 543468519 /nfs/dbraw/zinc/46/85/19/543468519.db2.gz VYYQQNVQIJQJJZ-SFHVURJKSA-N 0 3 354.458 2.091 20 30 FEEDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000114803197 543537681 /nfs/dbraw/zinc/53/76/81/543537681.db2.gz RYVSXBLDBJKIBG-DOTOQJQBSA-N 0 3 366.469 2.135 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000116547374 543610317 /nfs/dbraw/zinc/61/03/17/543610317.db2.gz XTYJRHUCNXJNTI-SJLPKXTDSA-N 0 3 364.534 2.410 20 30 FEEDHN N#CCCN(Cc1cccnc1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000118881879 543660941 /nfs/dbraw/zinc/66/09/41/543660941.db2.gz XMMJJEPZEUUTOI-UHFFFAOYSA-N 0 3 356.470 2.359 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)CC1 ZINC000121875806 543700974 /nfs/dbraw/zinc/70/09/74/543700974.db2.gz SBNQCRGLVRBQFW-OAHLLOKOSA-N 0 3 363.424 2.372 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000127455421 543994092 /nfs/dbraw/zinc/99/40/92/543994092.db2.gz ZKQGUDBRNQDICN-MAUKXSAKSA-N 0 3 356.470 2.341 20 30 FEEDHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000131019128 544174480 /nfs/dbraw/zinc/17/44/80/544174480.db2.gz SWCFNCQDXMKXKF-XOKHGSTOSA-N 0 3 360.433 2.095 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cc(OC)ccc2OC(F)F)CC1 ZINC000133567221 544275312 /nfs/dbraw/zinc/27/53/12/544275312.db2.gz FSPNRJMPUHEINX-UHFFFAOYSA-N 0 3 352.381 2.258 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3CCC(C)C)CC2)o1 ZINC000135315486 544341625 /nfs/dbraw/zinc/34/16/25/544341625.db2.gz RBNCFBPAGDMKGG-QGZVFWFLSA-N 0 3 373.501 2.404 20 30 FEEDHN C[C@@H](CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000150216270 544462092 /nfs/dbraw/zinc/46/20/92/544462092.db2.gz CMDPRNUVMVXRFO-ZDUSSCGKSA-N 0 3 370.413 2.052 20 30 FEEDHN C[C@H](C(=O)NCc1ccccc1Cl)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153325952 544761436 /nfs/dbraw/zinc/76/14/36/544761436.db2.gz BFKUEUXDAIXQPJ-GFCCVEGCSA-N 0 3 374.876 2.086 20 30 FEEDHN C[C@H](O)C[C@@H]1CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153162069 544741279 /nfs/dbraw/zinc/74/12/79/544741279.db2.gz WYXOMQLPXNFCQI-YOEHRIQHSA-N 0 3 368.399 2.408 20 30 FEEDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155197410 545000561 /nfs/dbraw/zinc/00/05/61/545000561.db2.gz WKMCLJJSASMSFJ-NSHDSACASA-N 0 3 374.304 2.329 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000552689087 674220289 /nfs/dbraw/zinc/22/02/89/674220289.db2.gz OCVAVWSCPBMPMX-MRXNPFEDSA-N 0 3 363.527 2.499 20 30 FEEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000553661341 674277912 /nfs/dbraw/zinc/27/79/12/674277912.db2.gz UNWQDZXEHNBDKP-FUHWJXTLSA-N 0 3 364.467 2.043 20 30 FEEDHN N#Cc1c(NC(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)sc2c1CCCCC2 ZINC000184817272 327884212 /nfs/dbraw/zinc/88/42/12/327884212.db2.gz VNSIWKDJKXMTLU-DZGCQCFKSA-N 0 3 374.510 2.461 20 30 FEEDHN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000188731009 328107235 /nfs/dbraw/zinc/10/72/35/328107235.db2.gz NZWWQDOONVQHPW-MRXNPFEDSA-N 0 3 372.513 2.389 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNCc2cc(C#N)n(C)c2)CC1 ZINC000190778318 328232160 /nfs/dbraw/zinc/23/21/60/328232160.db2.gz MZZNQUYLTCPJNK-UHFFFAOYSA-N 0 3 351.498 2.324 20 30 FEEDHN CCO[C@@H]1C[C@](CO)(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000192805242 328340528 /nfs/dbraw/zinc/34/05/28/328340528.db2.gz PXCANAUQYJCAET-DBXWQHBBSA-N 0 3 371.481 2.209 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(CC3CCC3)C(C)C)CC2)o1 ZINC000193201036 328362125 /nfs/dbraw/zinc/36/21/25/328362125.db2.gz IWATZZOLTXQPBJ-UHFFFAOYSA-N 0 3 359.474 2.014 20 30 FEEDHN CC(C)[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCCCC1 ZINC000104221237 325534530 /nfs/dbraw/zinc/53/45/30/325534530.db2.gz NBIOACUWBGUYHO-GOSISDBHSA-N 0 3 355.486 2.112 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn2ccccc2n1 ZINC000117250082 326053585 /nfs/dbraw/zinc/05/35/85/326053585.db2.gz YZHRDJDDELHLGQ-UHFFFAOYSA-N 0 3 361.449 2.339 20 30 FEEDHN CCC[C@@H]1CN(CCOc2ccc(C#N)cc2OC)CCN1CCOC ZINC000121958650 326378357 /nfs/dbraw/zinc/37/83/57/326378357.db2.gz QLQQIBGPIHHFKR-GOSISDBHSA-N 0 3 361.486 2.378 20 30 FEEDHN CC(C)(NC[C@@H](O)COc1ccc(C#N)cc1)C(=O)NCC1CCCCC1 ZINC000155250560 326782481 /nfs/dbraw/zinc/78/24/81/326782481.db2.gz UEDFHYIJWQCNDY-GOSISDBHSA-N 0 3 373.497 2.363 20 30 FEEDHN Cc1oc(NC(=O)[C@H](C)N2CCN(CC3CCOCC3)CC2)c(C#N)c1C ZINC000172428751 327201399 /nfs/dbraw/zinc/20/13/99/327201399.db2.gz PNSGEOGCEDWXLF-HNNXBMFYSA-N 0 3 374.485 2.139 20 30 FEEDHN Cc1nn(C)c(C)c1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000173488904 327260924 /nfs/dbraw/zinc/26/09/24/327260924.db2.gz CXDROVGMGZCHIF-UHFFFAOYSA-N 0 3 368.485 2.182 20 30 FEEDHN CC[C@]1(C)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000173779331 327283572 /nfs/dbraw/zinc/28/35/72/327283572.db2.gz VLVXKQCHMQARMO-LJQANCHMSA-N 0 3 359.474 2.015 20 30 FEEDHN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000174105248 327306636 /nfs/dbraw/zinc/30/66/36/327306636.db2.gz KTGAHBJZICDQBE-ZDUSSCGKSA-N 0 3 374.422 2.096 20 30 FEEDHN Cc1ccc(S(=O)(=O)N2CCC(NCc3ccc(C#N)o3)CC2)cc1 ZINC000174260334 327315811 /nfs/dbraw/zinc/31/58/11/327315811.db2.gz RAZSQMUORCVUDQ-UHFFFAOYSA-N 0 3 359.451 2.403 20 30 FEEDHN COc1ccc(CNCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1C#N ZINC000174298691 327318283 /nfs/dbraw/zinc/31/82/83/327318283.db2.gz YNSGHMHZROYZKD-MRXNPFEDSA-N 0 3 368.359 2.230 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)c1C#N ZINC000174704380 327344488 /nfs/dbraw/zinc/34/44/88/327344488.db2.gz MRUBKDWOXWTMJW-UHFFFAOYSA-N 0 3 364.449 2.396 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N(C)C ZINC000264638983 329043534 /nfs/dbraw/zinc/04/35/34/329043534.db2.gz YYOSBXMKIHNUSA-CQSZACIVSA-N 0 3 366.421 2.355 20 30 FEEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000275538874 330061161 /nfs/dbraw/zinc/06/11/61/330061161.db2.gz YXIJPOOABPDJDF-UHFFFAOYSA-N 0 3 361.389 2.340 20 30 FEEDHN COCCn1cc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000361466678 330204660 /nfs/dbraw/zinc/20/46/60/330204660.db2.gz ZQVXWYVCMBGRMN-KRWDZBQOSA-N 0 3 357.433 2.299 20 30 FEEDHN C#C[C@@H](NC(=O)N[C@H]1CCN(CCOC)C1)c1ccc(Cl)cc1F ZINC000805136226 674321812 /nfs/dbraw/zinc/32/18/12/674321812.db2.gz AWQYRMQCQOCMKJ-XJKSGUPXSA-N 0 3 353.825 2.173 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000158855000 545901186 /nfs/dbraw/zinc/90/11/86/545901186.db2.gz ZLGPNVQTKKNOJD-UHFFFAOYSA-N 0 3 361.490 2.024 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000160043998 546002978 /nfs/dbraw/zinc/00/29/78/546002978.db2.gz PZAJYZPLBYNNDX-MRXNPFEDSA-N 0 3 373.501 2.020 20 30 FEEDHN C=CCc1cc(C(=O)NC[C@H](O)CN2CCCCC2)cc(OC)c1OC ZINC000160197674 546017130 /nfs/dbraw/zinc/01/71/30/546017130.db2.gz ZRQFYTSHZBBPNS-KRWDZBQOSA-N 0 3 362.470 2.009 20 30 FEEDHN N#Cc1cccc(/C=C/C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000160588235 546054987 /nfs/dbraw/zinc/05/49/87/546054987.db2.gz MIQAVCYYQOYODJ-XMHHWPDXSA-N 0 3 361.445 2.323 20 30 FEEDHN C=CCSCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171258358 546200414 /nfs/dbraw/zinc/20/04/14/546200414.db2.gz NJSPFJGXCYOXKS-HZPDHXFCSA-N 0 3 355.548 2.436 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)CC1 ZINC000171723449 546221536 /nfs/dbraw/zinc/22/15/36/546221536.db2.gz PKMWEEJUEIISGP-HXUWFJFHSA-N 0 3 357.498 2.137 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(Cc3ccccc3C)CC2)CC1 ZINC000171736852 546222712 /nfs/dbraw/zinc/22/27/12/546222712.db2.gz RZUAINFUFAEEQK-UHFFFAOYSA-N 0 3 356.514 2.473 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 ZINC000171739760 546223576 /nfs/dbraw/zinc/22/35/76/546223576.db2.gz CGMUVWTZJKMZIZ-UHFFFAOYSA-N 0 3 358.442 2.411 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1 ZINC000171864455 546228450 /nfs/dbraw/zinc/22/84/50/546228450.db2.gz IPLKLNXYGZHOIK-UHFFFAOYSA-N 0 3 370.453 2.420 20 30 FEEDHN Cc1nn(-c2ccccc2)c(C)c1CNCCNC(=O)C1N=CC=CC1=O ZINC000172124595 546237261 /nfs/dbraw/zinc/23/72/61/546237261.db2.gz PENSQONHIAOXPQ-VXPUYCOJSA-N 0 3 365.437 2.105 20 30 FEEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000174588017 546300510 /nfs/dbraw/zinc/30/05/10/546300510.db2.gz MGNPFWHQCPTKTN-GOSISDBHSA-N 0 3 366.469 2.055 20 30 FEEDHN N#Cc1ccc(CNCCCCN2C(=O)NC3(CCCC3)C2=O)c(F)c1 ZINC000479881992 561198722 /nfs/dbraw/zinc/19/87/22/561198722.db2.gz JNBHEKSBUOFQFY-UHFFFAOYSA-N 0 3 358.417 2.432 20 30 FEEDHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175957335 546379968 /nfs/dbraw/zinc/37/99/68/546379968.db2.gz QQTOLGSPXYXAFF-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC000176154208 546414566 /nfs/dbraw/zinc/41/45/66/546414566.db2.gz KNFLESWVSFDALB-AWEZNQCLSA-N 0 3 362.440 2.305 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000481132560 561225885 /nfs/dbraw/zinc/22/58/85/561225885.db2.gz XKEVSYTVPAMXTM-ZWKOTPCHSA-N 0 3 357.498 2.438 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000179357073 546938828 /nfs/dbraw/zinc/93/88/28/546938828.db2.gz RJJWMTWQDPVUOJ-MRXNPFEDSA-N 0 3 355.841 2.462 20 30 FEEDHN N#Cc1ccccc1/C=C/C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000179486161 546963395 /nfs/dbraw/zinc/96/33/95/546963395.db2.gz AEFLCALIIUISLQ-VRDGUJSXSA-N 0 3 361.445 2.323 20 30 FEEDHN Cn1cc(CN2CCN(C3CCOCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180186584 547064609 /nfs/dbraw/zinc/06/46/09/547064609.db2.gz NWAAQQYLSPFMIA-UHFFFAOYSA-N 0 3 365.481 2.255 20 30 FEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(OC(F)F)c1 ZINC000180875618 547199923 /nfs/dbraw/zinc/19/99/23/547199923.db2.gz DUTACGZXXGRHAK-YZSSSTSJSA-N 0 3 351.353 2.465 20 30 FEEDHN CC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000182355552 547478206 /nfs/dbraw/zinc/47/82/06/547478206.db2.gz MOAGXIFEOUIKKY-SJORKVTESA-N 0 3 353.426 2.230 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000183402732 547652049 /nfs/dbraw/zinc/65/20/49/547652049.db2.gz CEHWCPSUTSTLKD-LEWJYISDSA-N 0 3 368.525 2.290 20 30 FEEDHN Cn1cc(CNCCNC(=O)C2N=CC=CC2=O)c(C2CCCCC2)n1 ZINC000183758811 547714420 /nfs/dbraw/zinc/71/44/20/547714420.db2.gz ZBGANHZNOAKPAV-HNENSFHCSA-N 0 3 357.458 2.084 20 30 FEEDHN N#Cc1ccc(CN2CCC(NCc3nnc4n3CCCC4)CC2)cc1 ZINC000183868899 547731277 /nfs/dbraw/zinc/73/12/77/547731277.db2.gz QXMQJKCLAPCQHC-UHFFFAOYSA-N 0 3 350.470 2.240 20 30 FEEDHN CC(C)(C#N)CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000484745306 561305158 /nfs/dbraw/zinc/30/51/58/561305158.db2.gz NECGLHTUCNICPW-UHFFFAOYSA-N 0 3 357.502 2.438 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cccs3)C(=O)C2)CC1 ZINC000184590412 547851160 /nfs/dbraw/zinc/85/11/60/547851160.db2.gz DHJIGPZPLLWAHI-UHFFFAOYSA-N 0 3 362.499 2.147 20 30 FEEDHN COC(=O)c1coc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000184860741 547888655 /nfs/dbraw/zinc/88/86/55/547888655.db2.gz RKRUWIDLIVKNAT-UHFFFAOYSA-N 0 3 355.394 2.142 20 30 FEEDHN C=C(C)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000187755230 548262522 /nfs/dbraw/zinc/26/25/22/548262522.db2.gz UAECMWXPPBISIK-XJKSGUPXSA-N 0 3 352.341 2.337 20 30 FEEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000190074180 548316564 /nfs/dbraw/zinc/31/65/64/548316564.db2.gz AWTGBWBJXOOBJC-RHSMWYFYSA-N 0 3 354.454 2.121 20 30 FEEDHN CCn1nccc1N1CCC[C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)C1=O ZINC000191642546 548348208 /nfs/dbraw/zinc/34/82/08/548348208.db2.gz PPZWDBIZCHWQRN-MAUKXSAKSA-N 0 3 367.453 2.479 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000194585468 548501248 /nfs/dbraw/zinc/50/12/48/548501248.db2.gz XEYNICKAJSIUPR-UHFFFAOYSA-N 0 3 355.486 2.358 20 30 FEEDHN N#Cc1ccc(CN(CCOc2ccc(S(N)(=O)=O)cc2)C2CC2)cc1 ZINC000194962614 548556499 /nfs/dbraw/zinc/55/64/99/548556499.db2.gz JUDKIDDUAJYFAW-UHFFFAOYSA-N 0 3 371.462 2.249 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](C4OCCO4)C3)C2=O)cc1 ZINC000245532558 548940745 /nfs/dbraw/zinc/94/07/45/548940745.db2.gz USZUPTUWCNGAQH-SJLPKXTDSA-N 0 3 355.438 2.139 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCN2CCC(=O)Nc2ccccc2C#N)C[C@@H](C)O1 ZINC000246090617 549049987 /nfs/dbraw/zinc/04/99/87/549049987.db2.gz GGKMXPJMHGUNHI-ZHALLVOQSA-N 0 3 370.497 2.460 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CCc3ccccc3C2)CC1 ZINC000246113899 549055584 /nfs/dbraw/zinc/05/55/84/549055584.db2.gz PWXRWXVMWKKQGQ-SFTDATJTSA-N 0 3 368.525 2.168 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000488708919 561394914 /nfs/dbraw/zinc/39/49/14/561394914.db2.gz ACKNWRZPFFJRIM-WIYYLYMNSA-N 0 3 374.525 2.340 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]([S@](=O)CC)C2)CC1 ZINC000246778113 549210276 /nfs/dbraw/zinc/21/02/76/549210276.db2.gz ZDVGKTDBIKUXOB-XVTZWQNCSA-N 0 3 355.548 2.406 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246832742 549224629 /nfs/dbraw/zinc/22/46/29/549224629.db2.gz BTOPUOIAJNHKPN-XJKSGUPXSA-N 0 3 353.875 2.316 20 30 FEEDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000250485326 549642835 /nfs/dbraw/zinc/64/28/35/549642835.db2.gz KVOUWBUQTCPQMC-YTQUADARSA-N 0 3 373.497 2.315 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000250671163 549643928 /nfs/dbraw/zinc/64/39/28/549643928.db2.gz XHJAYNZGPCFRHK-CVEARBPZSA-N 0 3 359.470 2.427 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(C)C ZINC000253542555 549692898 /nfs/dbraw/zinc/69/28/98/549692898.db2.gz DVOBNOBRRJDJFK-QGZVFWFLSA-N 0 3 371.485 2.101 20 30 FEEDHN CC[S@](=O)[C@H]1CCC[C@H](NC(NCc2ccc([O-])c(F)c2)=[NH+]C)C1 ZINC000261823619 549759468 /nfs/dbraw/zinc/75/94/68/549759468.db2.gz USDKDONVRMMVNC-XACMVJRISA-N 0 3 355.479 2.276 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCNC(=O)c2cccc(C)c2)CC1 ZINC000264379152 549995054 /nfs/dbraw/zinc/99/50/54/549995054.db2.gz LAUDJAVQCRWMKE-UHFFFAOYSA-N 0 3 358.486 2.065 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 ZINC000264370144 549995364 /nfs/dbraw/zinc/99/53/64/549995364.db2.gz JJFNUNXPIOJKFP-FUHWJXTLSA-N 0 3 355.482 2.363 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000264526867 549997332 /nfs/dbraw/zinc/99/73/32/549997332.db2.gz YPTJTZWAKNIMND-SFHVURJKSA-N 0 3 373.522 2.358 20 30 FEEDHN CCOc1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1OCC ZINC000264955610 550004422 /nfs/dbraw/zinc/00/44/22/550004422.db2.gz MCLDSVURMJFPDZ-HNENSFHCSA-N 0 3 359.426 2.100 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCc2nnc(C)n2C1)C(C)C ZINC000265460925 550009876 /nfs/dbraw/zinc/00/98/76/550009876.db2.gz VSMQIXNJFAYIKZ-ZWKOTPCHSA-N 0 3 374.533 2.147 20 30 FEEDHN C=CCN1CCC(NC(=O)c2nc(CC)n(-c3ccccc3F)n2)CC1 ZINC000265924430 550015357 /nfs/dbraw/zinc/01/53/57/550015357.db2.gz DCJVTNWSANOVJC-UHFFFAOYSA-N 0 3 357.433 2.349 20 30 FEEDHN N#CCCn1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)n1 ZINC000266480789 550021103 /nfs/dbraw/zinc/02/11/03/550021103.db2.gz YJKBQMBBQHTOQN-UHFFFAOYSA-N 0 3 362.503 2.280 20 30 FEEDHN COc1cc(/C=C/C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)ccc1OCC#N ZINC000268221150 550038010 /nfs/dbraw/zinc/03/80/10/550038010.db2.gz LYCZXGGHCOYYJF-NRBJAHEWSA-N 0 3 355.438 2.210 20 30 FEEDHN COc1ccc([C@@H](C#N)N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)cc1 ZINC000492817532 561452934 /nfs/dbraw/zinc/45/29/34/561452934.db2.gz KVHSRHYMFPQSKW-VQTJNVASSA-N 0 3 368.481 2.031 20 30 FEEDHN C[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C1=CCN(C)CC1 ZINC000272740149 550467802 /nfs/dbraw/zinc/46/78/02/550467802.db2.gz CQFSINHBAKGFIW-QGZVFWFLSA-N 0 3 367.497 2.430 20 30 FEEDHN CN(CCCNS(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000272978520 550479468 /nfs/dbraw/zinc/47/94/68/550479468.db2.gz CRFIULYEMDRVBJ-UHFFFAOYSA-N 0 3 357.479 2.500 20 30 FEEDHN C[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)C1=CCN(C)CC1 ZINC000273056283 550482713 /nfs/dbraw/zinc/48/27/13/550482713.db2.gz XYUREECZYVRPEF-MRXNPFEDSA-N 0 3 353.470 2.040 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H](CO)c2ccccc2)c(OC)c1 ZINC000273082328 550484279 /nfs/dbraw/zinc/48/42/79/550484279.db2.gz HSEZIYALUIHQPN-MOPGFXCFSA-N 0 3 357.450 2.487 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000274243774 550529505 /nfs/dbraw/zinc/52/95/05/550529505.db2.gz VEVLEUAXFXKXSV-UHFFFAOYSA-N 0 3 357.458 2.461 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](OCCOC)C1)C(C)C ZINC000275526307 550572534 /nfs/dbraw/zinc/57/25/34/550572534.db2.gz BEIGCDLPNBXAKL-ZWKOTPCHSA-N 0 3 353.507 2.132 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(CC)c2)CC1 ZINC000275610006 550573192 /nfs/dbraw/zinc/57/31/92/550573192.db2.gz LSNYTEWHMCJESC-ZWKOTPCHSA-N 0 3 361.490 2.073 20 30 FEEDHN CO[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1OC ZINC000276834895 550601393 /nfs/dbraw/zinc/60/13/93/550601393.db2.gz HBJHBJKBIVJXQC-GASCZTMLSA-N 0 3 363.483 2.173 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)CC1 ZINC000277120473 550634484 /nfs/dbraw/zinc/63/44/84/550634484.db2.gz HTDZJCPJEYHFOW-SFHVURJKSA-N 0 3 352.438 2.123 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000279177287 550861966 /nfs/dbraw/zinc/86/19/66/550861966.db2.gz GKEKDOCWDKHCDH-LJQANCHMSA-N 0 3 365.481 2.322 20 30 FEEDHN CCCNC(=O)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279608497 550908143 /nfs/dbraw/zinc/90/81/43/550908143.db2.gz SXSASEUJERXMNP-ZWKOTPCHSA-N 0 3 352.438 2.005 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)CC1 ZINC000279636938 550911056 /nfs/dbraw/zinc/91/10/56/550911056.db2.gz ZXHRDLMGAPJOFR-UHFFFAOYSA-N 0 3 354.498 2.271 20 30 FEEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)N(C)CC(F)(F)F ZINC000279734757 550922967 /nfs/dbraw/zinc/92/29/67/550922967.db2.gz WLZIHOHZTKQLLO-AWEZNQCLSA-N 0 3 370.419 2.331 20 30 FEEDHN C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000279883266 550939291 /nfs/dbraw/zinc/93/92/91/550939291.db2.gz CVJPKKWXVIHUEZ-VQTJNVASSA-N 0 3 365.481 2.493 20 30 FEEDHN Cc1cnc(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)s1 ZINC000280814064 551035180 /nfs/dbraw/zinc/03/51/80/551035180.db2.gz HHPAOKYGJQNQSO-QGZVFWFLSA-N 0 3 365.462 2.354 20 30 FEEDHN CC(C)(C)OC(=O)NCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280839741 551037955 /nfs/dbraw/zinc/03/79/55/551037955.db2.gz JJEREMZWKNGXJB-MRXNPFEDSA-N 0 3 356.426 2.272 20 30 FEEDHN CCOC(=O)[C@@]1(COC)CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000281219647 551075086 /nfs/dbraw/zinc/07/50/86/551075086.db2.gz BPOMHOPTIYAVMP-FQEVSTJZSA-N 0 3 373.453 2.179 20 30 FEEDHN CC[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CC(F)F ZINC000281473696 551101882 /nfs/dbraw/zinc/10/18/82/551101882.db2.gz GUHZWHSGCDUVIU-SJORKVTESA-N 0 3 360.408 2.428 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000281893522 551154073 /nfs/dbraw/zinc/15/40/73/551154073.db2.gz UPEJTKMDCLSHAJ-PKOBYXMFSA-N 0 3 361.486 2.407 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000283059643 551305246 /nfs/dbraw/zinc/30/52/46/551305246.db2.gz TVLFHXKTDPYYES-AWEZNQCLSA-N 0 3 370.544 2.028 20 30 FEEDHN C[C@@H]1CCCC[C@@H]1[N-]C(=S)C(C(=O)c1cnn(C)n1)[n+]1ccccc1 ZINC000284051356 551475014 /nfs/dbraw/zinc/47/50/14/551475014.db2.gz JGFZYUCBOYKEPP-KGLIPLIRSA-O 0 3 358.491 2.210 20 30 FEEDHN CCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)[N-]C(C)(C)CC)cc1 ZINC000284089232 551481697 /nfs/dbraw/zinc/48/16/97/551481697.db2.gz KUGKEQRQONYOJP-UHFFFAOYSA-O 0 3 360.507 2.382 20 30 FEEDHN COCc1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000285218391 551722365 /nfs/dbraw/zinc/72/23/65/551722365.db2.gz UROUHYRCAQGZIM-UHFFFAOYSA-N 0 3 358.467 2.365 20 30 FEEDHN COC(=O)c1cnoc1CON=C(N)c1ccccc1CN1CCCCC1 ZINC000285255071 551727460 /nfs/dbraw/zinc/72/74/60/551727460.db2.gz RZDLSTBGRBJCAZ-UHFFFAOYSA-N 0 3 372.425 2.284 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000285370810 551745295 /nfs/dbraw/zinc/74/52/95/551745295.db2.gz KECWOWGAHHHMSL-HNNXBMFYSA-N 0 3 362.495 2.003 20 30 FEEDHN CCNC(=O)OC[C@H]1CCCCN1CCC(=O)Nc1ccccc1C#N ZINC000285759377 551806543 /nfs/dbraw/zinc/80/65/43/551806543.db2.gz WZTKVRYKFHUCMO-MRXNPFEDSA-N 0 3 358.442 2.487 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCn2cc(Br)cn2)cc1 ZINC000286293674 551870985 /nfs/dbraw/zinc/87/09/85/551870985.db2.gz DFQZPKCNGKTFNH-AWEZNQCLSA-N 0 3 372.226 2.016 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000286386362 551881891 /nfs/dbraw/zinc/88/18/91/551881891.db2.gz UUSZNNDTMSJKSS-KRWDZBQOSA-N 0 3 361.486 2.073 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000286388201 551882001 /nfs/dbraw/zinc/88/20/01/551882001.db2.gz DCTQMQMCTQDSMF-UHFFFAOYSA-N 0 3 369.509 2.400 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H](C)Cc2cccs2)CC1 ZINC000286391261 551882686 /nfs/dbraw/zinc/88/26/86/551882686.db2.gz DHUAZOJFGUNLNF-OAHLLOKOSA-N 0 3 363.527 2.200 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(C)cc2SC)CC1 ZINC000286716980 551918166 /nfs/dbraw/zinc/91/81/66/551918166.db2.gz QTGQWZPMDHLAAB-UHFFFAOYSA-N 0 3 361.511 2.100 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@@]2(CCCOC2)C1)C(C)C ZINC000287032450 551954187 /nfs/dbraw/zinc/95/41/87/551954187.db2.gz HAXZCXAHXODUOU-ICSRJNTNSA-N 0 3 365.518 2.276 20 30 FEEDHN COCCN1CC[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287145925 551969248 /nfs/dbraw/zinc/96/92/48/551969248.db2.gz HWRCBCMGNOZZIK-ZDUSSCGKSA-N 0 3 367.247 2.163 20 30 FEEDHN CC[C@@H](C)N(CCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000287233661 551979428 /nfs/dbraw/zinc/97/94/28/551979428.db2.gz GAZJMFJZIRSEHL-CQSZACIVSA-N 0 3 356.388 2.266 20 30 FEEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287680072 552033583 /nfs/dbraw/zinc/03/35/83/552033583.db2.gz DQJRTIUHTXMYBY-MRXNPFEDSA-N 0 3 359.451 2.294 20 30 FEEDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000288735114 552203270 /nfs/dbraw/zinc/20/32/70/552203270.db2.gz GQBVXHHNMATSRG-AWEZNQCLSA-N 0 3 360.458 2.132 20 30 FEEDHN C=CCCCCNC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000288976369 552246721 /nfs/dbraw/zinc/24/67/21/552246721.db2.gz XJRRESZYBILAAD-MRXNPFEDSA-N 0 3 358.486 2.196 20 30 FEEDHN C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000289462180 552325346 /nfs/dbraw/zinc/32/53/46/552325346.db2.gz MDDMAVSRTSLTHZ-CRAIPNDOSA-N 0 3 370.478 2.142 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000290318986 552459533 /nfs/dbraw/zinc/45/95/33/552459533.db2.gz VKBALQCPFVFVDI-CYBMUJFWSA-N 0 3 360.433 2.263 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(c2cccnc2C#N)CC1 ZINC000290815944 552542740 /nfs/dbraw/zinc/54/27/40/552542740.db2.gz RWWBWOWAWMZLLX-UHFFFAOYSA-N 0 3 351.454 2.220 20 30 FEEDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290828590 552545196 /nfs/dbraw/zinc/54/51/96/552545196.db2.gz PHUOREDJJGKPKO-UHFFFAOYSA-N 0 3 374.441 2.288 20 30 FEEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCCOCCC#N)cc1 ZINC000292686979 552749395 /nfs/dbraw/zinc/74/93/95/552749395.db2.gz CGOCRNODWGRQJN-HNNXBMFYSA-N 0 3 353.488 2.298 20 30 FEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1sccc1C#N ZINC000293159841 552794686 /nfs/dbraw/zinc/79/46/86/552794686.db2.gz SYHHISYQIJXCBQ-UHFFFAOYSA-N 0 3 374.441 2.288 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000293476475 552827642 /nfs/dbraw/zinc/82/76/42/552827642.db2.gz VHQBONATUOXQEP-HXUWFJFHSA-N 0 3 357.454 2.134 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@]4(C3)CCCN(C)C4)CC2)o1 ZINC000293832672 552860489 /nfs/dbraw/zinc/86/04/89/552860489.db2.gz BYZOHGOSJQXJGF-FQEVSTJZSA-N 0 3 371.485 2.015 20 30 FEEDHN CCN1CC[C@H]2OCCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)[C@H]2C1 ZINC000293877059 552864426 /nfs/dbraw/zinc/86/44/26/552864426.db2.gz KSMUCIHUGYUZFO-ZWKOTPCHSA-N 0 3 357.454 2.037 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000294050505 552878265 /nfs/dbraw/zinc/87/82/65/552878265.db2.gz UCJLRCFIILWXGE-OAQYLSRUSA-N 0 3 355.482 2.000 20 30 FEEDHN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294174917 552887935 /nfs/dbraw/zinc/88/79/35/552887935.db2.gz JQFUUVHJOMDLTR-KBPBESRZSA-N 0 3 353.463 2.237 20 30 FEEDHN COCCN1CCC(NC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294791126 552934506 /nfs/dbraw/zinc/93/45/06/552934506.db2.gz SSELITBHQOWDOQ-UHFFFAOYSA-N 0 3 366.259 2.161 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1sccc1C#N)[C@H](c1ccccc1)N(C)C ZINC000294933080 552945243 /nfs/dbraw/zinc/94/52/43/552945243.db2.gz XPVZQCDCPZERHJ-SWLSCSKDSA-N 0 3 356.451 2.366 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000296445049 553161349 /nfs/dbraw/zinc/16/13/49/553161349.db2.gz UXBYGAARLMFWET-UHFFFAOYSA-N 0 3 357.502 2.072 20 30 FEEDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000502835792 561627131 /nfs/dbraw/zinc/62/71/31/561627131.db2.gz HMZASVBZGJGIOR-HOTGVXAUSA-N 0 3 362.861 2.091 20 30 FEEDHN Cc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000503419855 561640838 /nfs/dbraw/zinc/64/08/38/561640838.db2.gz HTFWEHNPIQLDTF-KUHUBIRLSA-N 0 3 351.454 2.465 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(-n4cncn4)cc3)C2=O)cc1 ZINC000503932426 561650186 /nfs/dbraw/zinc/65/01/86/561650186.db2.gz YMXVEIAKCVZKJW-FQEVSTJZSA-N 0 3 372.432 2.424 20 30 FEEDHN C=CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000299192685 553528114 /nfs/dbraw/zinc/52/81/14/553528114.db2.gz SEOVRILYTHNABC-UHFFFAOYSA-N 0 3 371.403 2.240 20 30 FEEDHN C=CCCc1ccccc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000504005414 561651757 /nfs/dbraw/zinc/65/17/57/561651757.db2.gz LQHGVGHBIVBMNQ-SFHVURJKSA-N 0 3 373.497 2.313 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N(C)C ZINC000299342624 553550293 /nfs/dbraw/zinc/55/02/93/553550293.db2.gz UGSJTSFOPYFIHA-CQSZACIVSA-N 0 3 366.421 2.355 20 30 FEEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C1(C(N)=O)CCCC1 ZINC000299643333 553594926 /nfs/dbraw/zinc/59/49/26/553594926.db2.gz KPLOGPZKAPEAJW-UHFFFAOYSA-N 0 3 360.483 2.167 20 30 FEEDHN C=CCCc1ccccc1NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000504413420 561657919 /nfs/dbraw/zinc/65/79/19/561657919.db2.gz JYIJCFAAIMSVHP-KRWDZBQOSA-N 0 3 373.497 2.361 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNc2cc(C#N)c(Br)cn2)CC1 ZINC000603280330 553752421 /nfs/dbraw/zinc/75/24/21/553752421.db2.gz UXSMHBHGZGQSFX-ZDUSSCGKSA-N 0 3 366.307 2.401 20 30 FEEDHN CN1C[C@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)CCC1=O ZINC000328618650 553797390 /nfs/dbraw/zinc/79/73/90/553797390.db2.gz VHJWIHPZVUVKJX-MRXNPFEDSA-N 0 3 350.507 2.157 20 30 FEEDHN CC(=O)N1CCN(C(=O)NCCN2CCC(C)CC2)CC12CCCCC2 ZINC000328960180 553853793 /nfs/dbraw/zinc/85/37/93/553853793.db2.gz KHKKBYPKWYIABN-UHFFFAOYSA-N 0 3 364.534 2.499 20 30 FEEDHN C[C@@H](C(=O)Nc1nccs1)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000328975988 553856683 /nfs/dbraw/zinc/85/66/83/553856683.db2.gz WHNGOZDELLMCGY-ILXRZTDVSA-N 0 3 351.520 2.077 20 30 FEEDHN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NC1CCN(CC2CCCC2)CC1 ZINC000328995630 553861693 /nfs/dbraw/zinc/86/16/93/553861693.db2.gz FINZFATYOYYAJW-JPMUSVJPSA-N 0 3 355.548 2.396 20 30 FEEDHN CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@H](C)N3CCC[C@@H](C)C3)CC[C@@H]21 ZINC000329011442 553863961 /nfs/dbraw/zinc/86/39/61/553863961.db2.gz DSTKPTQAEDQMPR-VQHPVUNQSA-N 0 3 365.522 2.102 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)NCc3ccn(C)n3)CC2)C[C@@H](C)O1 ZINC000329070676 553875157 /nfs/dbraw/zinc/87/51/57/553875157.db2.gz YOEFRBRFEOZYAG-HZPDHXFCSA-N 0 3 363.506 2.045 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329104303 553881186 /nfs/dbraw/zinc/88/11/86/553881186.db2.gz GOWHICNOFIIFHX-HZPDHXFCSA-N 0 3 350.507 2.298 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329158086 553891773 /nfs/dbraw/zinc/89/17/73/553891773.db2.gz WSFYHBDVUAXRLI-CVEARBPZSA-N 0 3 350.507 2.298 20 30 FEEDHN CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC3(CCCCC3)O2)N(C)C1 ZINC000329190476 553898602 /nfs/dbraw/zinc/89/86/02/553898602.db2.gz QBQOWCFADNXLKQ-ULQDDVLXSA-N 0 3 353.507 2.433 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000329302036 553921108 /nfs/dbraw/zinc/92/11/08/553921108.db2.gz WNQWJTIMDXEQEH-FZCLSBEQSA-N 0 3 356.470 2.120 20 30 FEEDHN CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)c1 ZINC000506560081 561702030 /nfs/dbraw/zinc/70/20/30/561702030.db2.gz FCHFWQZCIXOLLN-UHFFFAOYSA-N 0 3 360.433 2.321 20 30 FEEDHN COc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1N1CCCC1=O ZINC000329471334 553952361 /nfs/dbraw/zinc/95/23/61/553952361.db2.gz ZLTQJORQQIUDFB-YOEHRIQHSA-N 0 3 372.469 2.394 20 30 FEEDHN C[C@H](NC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)c1cccnc1 ZINC000329774158 554003484 /nfs/dbraw/zinc/00/34/84/554003484.db2.gz IJUMREFDHWGPEI-KRWDZBQOSA-N 0 3 359.518 2.406 20 30 FEEDHN O=C(N[C@@H]1CCc2c[nH]nc2C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000329850700 554018771 /nfs/dbraw/zinc/01/87/71/554018771.db2.gz SMNVQPJDZQGRQA-MSOLQXFVSA-N 0 3 353.470 2.435 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@H]3CCCN(C)C3)C2)n1 ZINC000329920510 554031689 /nfs/dbraw/zinc/03/16/89/554031689.db2.gz DZQAFUDGHJJUPB-PKOBYXMFSA-N 0 3 369.513 2.278 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000330200638 554083990 /nfs/dbraw/zinc/08/39/90/554083990.db2.gz WSEARFLDOQXWOT-MDZLAQPJSA-N 0 3 362.396 2.224 20 30 FEEDHN CN1CCC(n2ccc(NC(=O)N[C@@H]3CCc4c3cccc4O)n2)CC1 ZINC000330260287 554094603 /nfs/dbraw/zinc/09/46/03/554094603.db2.gz OEHVWDBJDJNPIK-MRXNPFEDSA-N 0 3 355.442 2.869 20 30 FEEDHN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C3CC3)cn2)CC1 ZINC000330270960 554097162 /nfs/dbraw/zinc/09/71/62/554097162.db2.gz VBZYKQAWJICHOW-SFHVURJKSA-N 0 3 357.502 2.307 20 30 FEEDHN C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000330409228 554117869 /nfs/dbraw/zinc/11/78/69/554117869.db2.gz JYTRTDQFFOZWSC-SJLPKXTDSA-N 0 3 364.515 2.109 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000330452539 554123613 /nfs/dbraw/zinc/12/36/13/554123613.db2.gz KUAFRMQDUJIIIK-NSHDSACASA-N 0 3 359.879 2.024 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000330967482 554195165 /nfs/dbraw/zinc/19/51/65/554195165.db2.gz BMCGFNHDKHFTKL-HOCLYGCPSA-N 0 3 351.328 2.156 20 30 FEEDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC000331306757 554244329 /nfs/dbraw/zinc/24/43/29/554244329.db2.gz VYHZYIRDMVHNBM-ZDUSSCGKSA-N 0 3 353.413 2.437 20 30 FEEDHN COc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1NC(C)=O ZINC000331304867 554244646 /nfs/dbraw/zinc/24/46/46/554244646.db2.gz YRJNMZQMVXTYCG-SUMWQHHRSA-N 0 3 362.474 2.340 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000508974545 561780026 /nfs/dbraw/zinc/78/00/26/561780026.db2.gz DHKDWNGNMXSOBI-INIZCTEOSA-N 0 3 372.469 2.275 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000332222210 554403761 /nfs/dbraw/zinc/40/37/61/554403761.db2.gz AULPOQYXRLCEMT-KBPBESRZSA-N 0 3 373.400 2.482 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCN1C ZINC000332534705 554465875 /nfs/dbraw/zinc/46/58/75/554465875.db2.gz IKNPAJUTWNSUAC-GJZGRUSLSA-N 0 3 359.449 2.012 20 30 FEEDHN Cc1cccc([C@H]2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)c1 ZINC000332667962 554493915 /nfs/dbraw/zinc/49/39/15/554493915.db2.gz MJCGOAHHJNOCSB-LEWJYISDSA-N 0 3 368.525 2.477 20 30 FEEDHN CC(C#N)C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000510384646 561833205 /nfs/dbraw/zinc/83/32/05/561833205.db2.gz NMXIBCMVQLOXAW-LBPRGKRZSA-N 0 3 359.817 2.194 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCN1C ZINC000332936429 554545754 /nfs/dbraw/zinc/54/57/54/554545754.db2.gz XALCJMVJEUSQLF-PXNSSMCTSA-N 0 3 369.513 2.258 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@]2(C)CO)cc1 ZINC000334022195 554669450 /nfs/dbraw/zinc/66/94/50/554669450.db2.gz IYHDFMPDDRQMQN-PVUWLOKVSA-N 0 3 365.455 2.045 20 30 FEEDHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(F)(C#N)CC1 ZINC000510936419 561851676 /nfs/dbraw/zinc/85/16/76/561851676.db2.gz PFUMOKLNCFJWML-FUHWJXTLSA-N 0 3 358.461 2.093 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@@H](C2CC2)N(C)Cc2ccccc2)C1=O ZINC000348608150 554691413 /nfs/dbraw/zinc/69/14/13/554691413.db2.gz ZWEUMDPFOUUBEM-MSOLQXFVSA-N 0 3 357.454 2.020 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)c(OCCN(C)C)c1 ZINC000510997662 561853505 /nfs/dbraw/zinc/85/35/05/561853505.db2.gz CKKLHKXYVDHETJ-UHFFFAOYSA-N 0 3 374.485 2.320 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000359991567 554858394 /nfs/dbraw/zinc/85/83/94/554858394.db2.gz DWXWACRMNBWOTK-YHUYYLMFSA-N 0 3 351.491 2.302 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCN3CCC(C)CC3)C2)n1 ZINC000360848901 554892415 /nfs/dbraw/zinc/89/24/15/554892415.db2.gz HYEFQPQNYBWJSX-IBGZPJMESA-N 0 3 369.513 2.326 20 30 FEEDHN N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000362018643 554944991 /nfs/dbraw/zinc/94/49/91/554944991.db2.gz CDLZJTXSTCQBRR-NRFANRHFSA-N 0 3 360.461 2.231 20 30 FEEDHN N#Cc1ccc(CN2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC2)cc1 ZINC000362065690 554947430 /nfs/dbraw/zinc/94/74/30/554947430.db2.gz UACJWJKNVLRCQJ-UHFFFAOYSA-N 0 3 372.432 2.301 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2nncn2CC(C)C)CC1 ZINC000363249622 555063375 /nfs/dbraw/zinc/06/33/75/555063375.db2.gz AAHSZNGJXRABDB-QGZVFWFLSA-N 0 3 360.506 2.431 20 30 FEEDHN C[C@@H]1CN(C(=O)C2CCN(CCOc3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000363291319 555072032 /nfs/dbraw/zinc/07/20/32/555072032.db2.gz AYGLHFFVCFFJJS-IAGOWNOFSA-N 0 3 371.481 2.285 20 30 FEEDHN COC(=O)[C@H]1C[C@H](N[C@H]2CCC[C@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC000364030210 555236196 /nfs/dbraw/zinc/23/61/96/555236196.db2.gz JQHHLPOPEXSVAL-ZQDZILKHSA-N 0 3 351.447 2.209 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000364193865 555267055 /nfs/dbraw/zinc/26/70/55/555267055.db2.gz ZIIQIYQZBNHOMI-OAHLLOKOSA-N 0 3 363.408 2.084 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](c2cnn(C)c2)c2ccccc2)CC1 ZINC000364647510 555362451 /nfs/dbraw/zinc/36/24/51/555362451.db2.gz PBEFRMBLERUCCO-IBGZPJMESA-N 0 3 353.470 2.459 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(CNC(C)=O)o2)CC1 ZINC000364711797 555382626 /nfs/dbraw/zinc/38/26/26/555382626.db2.gz CHCHQFVTUJGXHZ-GOSISDBHSA-N 0 3 374.485 2.413 20 30 FEEDHN C=CCN(C(=O)NOC[C@@H]1CCOC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364959638 555450631 /nfs/dbraw/zinc/45/06/31/555450631.db2.gz XREUEVCQEGQKBZ-RTBURBONSA-N 0 3 359.470 2.427 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365030934 555469083 /nfs/dbraw/zinc/46/90/83/555469083.db2.gz ZNMYYWZHWDMPMS-RBUKOAKNSA-N 0 3 368.481 2.040 20 30 FEEDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc(C#N)c(F)c4)C[C@@H]3C2)no1 ZINC000365267955 555527736 /nfs/dbraw/zinc/52/77/36/555527736.db2.gz ORKQPJDUZQWRRZ-HZPDHXFCSA-N 0 3 355.417 2.207 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CCOCC1 ZINC000513070028 561924261 /nfs/dbraw/zinc/92/42/61/561924261.db2.gz QHXANXTVYOPBOZ-UHFFFAOYSA-N 0 3 358.486 2.448 20 30 FEEDHN COc1ccc([C@H](CCC#N)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000365732722 555654056 /nfs/dbraw/zinc/65/40/56/555654056.db2.gz GDRWUBMPRJWEIG-CTNGQTDRSA-N 0 3 372.513 2.036 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000365925476 555702458 /nfs/dbraw/zinc/70/24/58/555702458.db2.gz WYSOPOYUAYPTFY-AEFFLSMTSA-N 0 3 367.497 2.405 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000513608542 561944377 /nfs/dbraw/zinc/94/43/77/561944377.db2.gz JKAOWUNEWSYQDW-PZJWPPBQSA-N 0 3 363.461 2.480 20 30 FEEDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000366422006 555838788 /nfs/dbraw/zinc/83/87/88/555838788.db2.gz RDSWGDUAUURVJD-MJGOQNOKSA-N 0 3 358.438 2.357 20 30 FEEDHN COc1cc(CN[C@@H]2CCCN(c3ccccc3C(N)=O)C2)ccc1C#N ZINC000366926863 555972331 /nfs/dbraw/zinc/97/23/31/555972331.db2.gz KLCDGFPHHVOHGD-QGZVFWFLSA-N 0 3 364.449 2.424 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN(C2CCC(C)CC2)CC1 ZINC000367174822 556002799 /nfs/dbraw/zinc/00/27/99/556002799.db2.gz XNNWXMIJRRIPQQ-CKDBGZEDSA-N 0 3 356.536 2.098 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1occ2c1CCOC2 ZINC000367506168 556068868 /nfs/dbraw/zinc/06/88/68/556068868.db2.gz URHGFVJZTMGPAM-UHFFFAOYSA-N 0 3 353.422 2.428 20 30 FEEDHN Cn1cc([C@@H]2[C@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCCN2C)cn1 ZINC000367732385 556125823 /nfs/dbraw/zinc/12/58/23/556125823.db2.gz ZIBJGIBSKYDJEE-SJCJKPOMSA-N 0 3 369.429 2.277 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000367776701 556136284 /nfs/dbraw/zinc/13/62/84/556136284.db2.gz GDAKKBUEMVSQDH-FQEVSTJZSA-N 0 3 364.449 2.443 20 30 FEEDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1nccc(C)c1C#N ZINC000368357243 556286821 /nfs/dbraw/zinc/28/68/21/556286821.db2.gz JDZUFVHUCQUMQH-UHFFFAOYSA-N 0 3 353.474 2.058 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000368588665 556354350 /nfs/dbraw/zinc/35/43/50/556354350.db2.gz GTYOYNBGAGDOMC-MJGOQNOKSA-N 0 3 368.481 2.266 20 30 FEEDHN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000368666139 556379340 /nfs/dbraw/zinc/37/93/40/556379340.db2.gz CJTPZUPPDPTOOP-YZGWKJHDSA-N 0 3 371.481 2.163 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)NC2CCN(Cc3cccs3)CC2)c1 ZINC000368795224 556414862 /nfs/dbraw/zinc/41/48/62/556414862.db2.gz NZTJORJSFSNGJW-UHFFFAOYSA-N 0 3 367.474 2.449 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000369157960 556520497 /nfs/dbraw/zinc/52/04/97/556520497.db2.gz SNXBBOLEUCBYOA-SFHVURJKSA-N 0 3 365.481 2.302 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)s1 ZINC000369179544 556527352 /nfs/dbraw/zinc/52/73/52/556527352.db2.gz SXCREYVYZCJENQ-DOMZBBRYSA-N 0 3 351.497 2.257 20 30 FEEDHN C=CCN1CC[C@H](N2CCC(Cn3cc(Br)cn3)CC2)C1=O ZINC000369198805 556533249 /nfs/dbraw/zinc/53/32/49/556533249.db2.gz QHMJSJHPROKDHX-HNNXBMFYSA-N 0 3 367.291 2.145 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2[C@H]2CCCN2C(=O)CC)CC1 ZINC000369403610 556592203 /nfs/dbraw/zinc/59/22/03/556592203.db2.gz WGXNXHSPKADGJD-MSOLQXFVSA-N 0 3 362.518 2.212 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCN(c3cc(C)ccc3F)C2=O)CC1 ZINC000369413099 556595323 /nfs/dbraw/zinc/59/53/23/556595323.db2.gz JBSDESMHYHBOFO-SFHVURJKSA-N 0 3 371.456 2.091 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2[C@@H]2CCCN2C(C)=O)CC1 ZINC000369433519 556599489 /nfs/dbraw/zinc/59/94/89/556599489.db2.gz FKVQTJYEXUHAMZ-OALUTQOASA-N 0 3 362.518 2.212 20 30 FEEDHN C#CCCN1CCC(NC(=O)C2CCN(Cc3csc(C)n3)CC2)CC1 ZINC000369590666 556640907 /nfs/dbraw/zinc/64/09/07/556640907.db2.gz GJNLZQXWMIQSNE-UHFFFAOYSA-N 0 3 374.554 2.267 20 30 FEEDHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3sc(C(C)(C)C)cc3C#N)C[C@@H]21 ZINC000516248870 562037291 /nfs/dbraw/zinc/03/72/91/562037291.db2.gz NCUOVAXNDIQHIN-YPMHNXCESA-N 0 3 360.483 2.018 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(CN2CCCC2=O)CC1 ZINC000369782012 556693381 /nfs/dbraw/zinc/69/33/81/556693381.db2.gz KOUXHHVUEPZISX-UHFFFAOYSA-N 0 3 360.483 2.283 20 30 FEEDHN C=CCn1c(C)cc(C(=O)CN2CCC[C@H]2CN2CCC[C@@H]2CO)c1C ZINC000370355158 556848978 /nfs/dbraw/zinc/84/89/78/556848978.db2.gz LDRADMLDHJKOAE-RBUKOAKNSA-N 0 3 359.514 2.395 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)CC1 ZINC000370942578 557023798 /nfs/dbraw/zinc/02/37/98/557023798.db2.gz QRZKFWFTDSDJTI-DNVCBOLYSA-N 0 3 374.554 2.123 20 30 FEEDHN N#C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCN1C1CC1 ZINC000370970090 557030958 /nfs/dbraw/zinc/03/09/58/557030958.db2.gz VOBNQUDLEBYGOQ-PMACEKPBSA-N 0 3 367.497 2.205 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3CN(C)C)cc2C1=O ZINC000517082213 562075132 /nfs/dbraw/zinc/07/51/32/562075132.db2.gz WKVQIELAINMYKO-HNNXBMFYSA-N 0 3 355.438 2.025 20 30 FEEDHN N#CCc1ccc(OC[C@H](O)CNCCOc2ccc(C#N)cc2)cc1 ZINC000517924822 562100786 /nfs/dbraw/zinc/10/07/86/562100786.db2.gz AFDCGAGJDVNDQR-GOSISDBHSA-N 0 3 351.406 2.033 20 30 FEEDHN CC(C(=O)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1)S(C)(=O)=O ZINC000371988936 557348460 /nfs/dbraw/zinc/34/84/60/557348460.db2.gz XBNUGLRSVVKJHB-MNOVXSKESA-N 0 3 363.464 2.292 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000372018618 557357555 /nfs/dbraw/zinc/35/75/55/557357555.db2.gz XCESCTQRGSUJTO-MRXNPFEDSA-N 0 3 371.462 2.385 20 30 FEEDHN COc1ccc(C#N)cc1CN(C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000372184409 557402165 /nfs/dbraw/zinc/40/21/65/557402165.db2.gz DBKUAOVVAAVAMN-UHFFFAOYSA-N 0 3 370.497 2.085 20 30 FEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000518870257 562120039 /nfs/dbraw/zinc/12/00/39/562120039.db2.gz AZLUIWCIENLCGC-JFIYKMOQSA-N 0 3 371.485 2.379 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000518972242 562122302 /nfs/dbraw/zinc/12/23/02/562122302.db2.gz VVHCMVPYQKZKIO-RDJZCZTQSA-N 0 3 361.461 2.235 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(c2ccnn2CCO)CC1 ZINC000372544862 557499562 /nfs/dbraw/zinc/49/95/62/557499562.db2.gz HZIXNLSOWWKTJC-UHFFFAOYSA-N 0 3 373.482 2.017 20 30 FEEDHN C=CCN(C(=O)c1ccc(C(N)=O)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372602686 557517717 /nfs/dbraw/zinc/51/77/17/557517717.db2.gz WQMKAZFRRCKMCS-SFHVURJKSA-N 0 3 364.449 2.083 20 30 FEEDHN CC(=O)NCC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000519590896 562136162 /nfs/dbraw/zinc/13/61/62/562136162.db2.gz CXXDVIUDLVYMLA-RBUKOAKNSA-N 0 3 352.438 2.005 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000372979722 557602561 /nfs/dbraw/zinc/60/25/61/557602561.db2.gz IEUHFARHPKBSHU-UHFFFAOYSA-N 0 3 356.470 2.341 20 30 FEEDHN CCO[C@H](CCNCCS(=O)(=O)c1ccc(C#N)cn1)C1CCCC1 ZINC000519772418 562143441 /nfs/dbraw/zinc/14/34/41/562143441.db2.gz UFHZKNFVRANMRA-QGZVFWFLSA-N 0 3 365.499 2.302 20 30 FEEDHN N#CCCN(C(=O)CN[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1 ZINC000373119557 557632856 /nfs/dbraw/zinc/63/28/56/557632856.db2.gz ZKBJKHWWPPRGRV-WOJBJXKFSA-N 0 3 370.497 2.166 20 30 FEEDHN CN(C)[C@@H](CNCc1cnc2c(C#N)cnn2c1)c1c(F)cccc1F ZINC000520584339 562159588 /nfs/dbraw/zinc/15/95/88/562159588.db2.gz UOMRCTSGZKHZRA-INIZCTEOSA-N 0 3 356.380 2.272 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NCCN3[C@@H](C)CCC[C@@H]3C)cc2C1=O ZINC000520761136 562163102 /nfs/dbraw/zinc/16/31/02/562163102.db2.gz WLEDJWRYCIXWOL-GJZGRUSLSA-N 0 3 369.465 2.461 20 30 FEEDHN CN(C)Cc1ccc(C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374332393 557867079 /nfs/dbraw/zinc/86/70/79/557867079.db2.gz RRUMUPNMYFRMRQ-JTSKRJEESA-N 0 3 374.444 2.234 20 30 FEEDHN CN(C)Cc1cccc(C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374379522 557875202 /nfs/dbraw/zinc/87/52/02/557875202.db2.gz HEVQRPNLNQMFCI-VGSWGCGISA-N 0 3 374.444 2.234 20 30 FEEDHN COCCN(C)CCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521115137 562169896 /nfs/dbraw/zinc/16/98/96/562169896.db2.gz USKSIODGSHCHCP-UHFFFAOYSA-N 0 3 368.437 2.444 20 30 FEEDHN C[C@@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1=CCN(C)CC1 ZINC000374727538 557922192 /nfs/dbraw/zinc/92/21/92/557922192.db2.gz BQKIYAXKXNUUEA-BEFAXECRSA-N 0 3 354.454 2.292 20 30 FEEDHN COC(=O)c1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)oc1C ZINC000375051550 557970198 /nfs/dbraw/zinc/97/01/98/557970198.db2.gz WNTDTWUVJJGRJF-UHFFFAOYSA-N 0 3 354.410 2.400 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375471097 558033058 /nfs/dbraw/zinc/03/30/58/558033058.db2.gz PPQNTISZANVLSR-HZPDHXFCSA-N 0 3 354.410 2.048 20 30 FEEDHN CC(C)(CCC#N)CN1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000375573071 558051087 /nfs/dbraw/zinc/05/10/87/558051087.db2.gz VCSHANNJZXGCPR-KRWDZBQOSA-N 0 3 373.501 2.047 20 30 FEEDHN CN1CCC[C@@H](N2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)C1 ZINC000375694214 558068809 /nfs/dbraw/zinc/06/88/09/558068809.db2.gz WIDOGODAMUYIBV-VQTJNVASSA-N 0 3 354.498 2.312 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CC(C)C)N2CCOCC2)CC1 ZINC000521583232 562179362 /nfs/dbraw/zinc/17/93/62/562179362.db2.gz YQJSSBXJWQPETE-IBGZPJMESA-N 0 3 366.550 2.073 20 30 FEEDHN CN(C)c1ncc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000376743029 558215726 /nfs/dbraw/zinc/21/57/26/558215726.db2.gz RXPKRDHYXCNONI-INIZCTEOSA-N 0 3 354.433 2.312 20 30 FEEDHN C[C@H]1CCCCN1CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376923464 558239857 /nfs/dbraw/zinc/23/98/57/558239857.db2.gz BAHDVLZDPICMDX-AWEZNQCLSA-N 0 3 353.430 2.135 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC1 ZINC000411265979 558863739 /nfs/dbraw/zinc/86/37/39/558863739.db2.gz WXNWYKJTMIMYQL-CYBMUJFWSA-N 0 3 363.424 2.236 20 30 FEEDHN CC(C)OC[C@H](CO)N(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411640346 558934016 /nfs/dbraw/zinc/93/40/16/558934016.db2.gz VQXZPZSLAQQBED-HNNXBMFYSA-N 0 3 353.850 2.258 20 30 FEEDHN C[C@@H]1C[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@@H](C)O1 ZINC000413738379 559128120 /nfs/dbraw/zinc/12/81/20/559128120.db2.gz APVPQKVFOSBGID-GPMSIDNRSA-N 0 3 358.486 2.445 20 30 FEEDHN Cc1cc(=NC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)[nH]n1CCC#N ZINC000415387572 559230125 /nfs/dbraw/zinc/23/01/25/559230125.db2.gz QLDPTRXNMBGDHV-QGZVFWFLSA-N 0 3 354.458 3.050 20 30 FEEDHN CN(C)[C@H](CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000416134952 559293646 /nfs/dbraw/zinc/29/36/46/559293646.db2.gz QBEHCCYCPGVGOK-LJQANCHMSA-N 0 3 363.465 2.295 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CS[C@H](C)C2)cc1 ZINC000417052909 559346003 /nfs/dbraw/zinc/34/60/03/559346003.db2.gz QXGVKGOMDWWCTM-NTZNESFSSA-N 0 3 353.469 2.388 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418812332 559417048 /nfs/dbraw/zinc/41/70/48/559417048.db2.gz BFUVPQXAKKFJJQ-FHWLQOOXSA-N 0 3 373.497 2.023 20 30 FEEDHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419208273 559432617 /nfs/dbraw/zinc/43/26/17/559432617.db2.gz NYCGNOOZOIYIOD-CABCVRRESA-N 0 3 364.449 2.208 20 30 FEEDHN CC[C@@](CN[C@H](C)C(=O)NC1(C#N)CCC1)(C(=O)OC)c1ccccc1 ZINC000419365871 559439754 /nfs/dbraw/zinc/43/97/54/559439754.db2.gz YNOBBHGGZVHIKV-QRWLVFNGSA-N 0 3 357.454 2.048 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N[C@H]2CCCN(C)[C@H]2C)c(C#N)cn1CC ZINC000421173673 559528751 /nfs/dbraw/zinc/52/87/51/559528751.db2.gz MCXSNBCQAZEFJQ-JSGCOSHPSA-N 0 3 361.446 2.161 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(C#N)cn1CC ZINC000421179341 559529180 /nfs/dbraw/zinc/52/91/80/559529180.db2.gz ZTNIZCXDALJDSP-TZMCWYRMSA-N 0 3 361.446 2.161 20 30 FEEDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000421298121 559536937 /nfs/dbraw/zinc/53/69/37/559536937.db2.gz MLMQXJHNIBLMLG-ZDUSSCGKSA-N 0 3 368.359 2.068 20 30 FEEDHN C[C@H](CN1CCN(c2ccccn2)CC1)NCc1ccc(C#N)c(F)c1 ZINC000421367750 559540331 /nfs/dbraw/zinc/54/03/31/559540331.db2.gz UEJLOTQPSQFPJR-MRXNPFEDSA-N 0 3 353.445 2.393 20 30 FEEDHN COC(=O)Cc1sc(NC(=O)[C@H](N)CCCC#N)nc1-c1ccccc1 ZINC000424101260 559654803 /nfs/dbraw/zinc/65/48/03/559654803.db2.gz JISSSYLZFNIHOE-CYBMUJFWSA-N 0 3 372.450 2.485 20 30 FEEDHN COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](N)CCCC#N)CCN2C2CC2)c1 ZINC000424177942 559656658 /nfs/dbraw/zinc/65/66/58/559656658.db2.gz VNHYXVXBFZTGNS-IPMKNSEASA-N 0 3 356.470 2.110 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000424176443 559656696 /nfs/dbraw/zinc/65/66/96/559656696.db2.gz XTTRDRKIHLDPHZ-QGZVFWFLSA-N 0 3 351.454 2.032 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000424178873 559656961 /nfs/dbraw/zinc/65/69/61/559656961.db2.gz XPVPWTBAZISQRW-UONOGXRCSA-N 0 3 369.252 2.236 20 30 FEEDHN C=CCC1(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CCOCC1 ZINC000424697107 559673880 /nfs/dbraw/zinc/67/38/80/559673880.db2.gz NZAZUAOUEQFDBE-OAQYLSRUSA-N 0 3 358.482 2.113 20 30 FEEDHN C=CCn1cc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)nn1 ZINC000424908017 559679762 /nfs/dbraw/zinc/67/97/62/559679762.db2.gz MTJOOZLFYWRKHV-MRXNPFEDSA-N 0 3 357.433 2.132 20 30 FEEDHN CC(C(=O)N(C)[C@H](C)c1cccc(C#N)c1)S(=O)(=O)C1CCOCC1 ZINC000425135793 559688268 /nfs/dbraw/zinc/68/82/68/559688268.db2.gz VYFHQZNYSDXLGT-KGLIPLIRSA-N 0 3 364.467 2.060 20 30 FEEDHN CC(C)(C)N1CC[C@@H](N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000425384562 559699193 /nfs/dbraw/zinc/69/91/93/559699193.db2.gz MARWGRDYDRGJOA-LJQANCHMSA-N 0 3 354.498 2.465 20 30 FEEDHN N#Cc1ccsc1NC(=O)CN[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425534663 559708217 /nfs/dbraw/zinc/70/82/17/559708217.db2.gz FGKSWRLZXFTDDZ-INIZCTEOSA-N 0 3 363.483 2.106 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000425778786 559719232 /nfs/dbraw/zinc/71/92/32/559719232.db2.gz BKKQNTCGKVPLJV-HKUYNNGSSA-N 0 3 371.481 2.318 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000425864684 559723300 /nfs/dbraw/zinc/72/33/00/559723300.db2.gz ZRVVXOIYBCWRSO-OALUTQOASA-N 0 3 356.470 2.223 20 30 FEEDHN C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425891004 559724305 /nfs/dbraw/zinc/72/43/05/559724305.db2.gz OIFHJHBHJFGXCY-IRXDYDNUSA-N 0 3 370.497 2.458 20 30 FEEDHN CN(C)Cc1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000433876915 559889410 /nfs/dbraw/zinc/88/94/10/559889410.db2.gz IVYMYQJVNZSWTG-UHFFFAOYSA-N 0 3 371.462 2.072 20 30 FEEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434739662 559908335 /nfs/dbraw/zinc/90/83/35/559908335.db2.gz WLCAZRISPNKDLG-SLFFLAALSA-N 0 3 363.465 2.104 20 30 FEEDHN CC(=O)NC[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000434834844 559910527 /nfs/dbraw/zinc/91/05/27/559910527.db2.gz VTAWXOXYEGAJPF-KRWDZBQOSA-N 0 3 366.469 2.207 20 30 FEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000441716530 560038203 /nfs/dbraw/zinc/03/82/03/560038203.db2.gz ODCLPTKALARGCF-UGSOOPFHSA-N 0 3 368.412 2.443 20 30 FEEDHN C=CC[C@H]1N(CC(=O)NCC(C)(C)N2CCOCC2)CCCC1(C)C ZINC000444781212 560120788 /nfs/dbraw/zinc/12/07/88/560120788.db2.gz GWUDMRXGYFJNST-QGZVFWFLSA-N 0 3 351.535 2.280 20 30 FEEDHN C[C@@H]1[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCCN1C ZINC000446629705 560148827 /nfs/dbraw/zinc/14/88/27/560148827.db2.gz VXXUCUGMCMINHH-LTDKPHRXSA-N 0 3 371.485 2.425 20 30 FEEDHN CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCCN(C)C1 ZINC000449943886 560245947 /nfs/dbraw/zinc/24/59/47/560245947.db2.gz DFXURPOPIXAWSU-ZDUSSCGKSA-N 0 3 366.259 2.252 20 30 FEEDHN CN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCCN(C)C1 ZINC000449944815 560246083 /nfs/dbraw/zinc/24/60/83/560246083.db2.gz KVUVZEFDGDFKGR-LBPRGKRZSA-N 0 3 366.259 2.252 20 30 FEEDHN COc1cccc([C@H](CNc2nc3c(cc2C#N)COCC3)N(C)C)c1 ZINC000450214542 560254205 /nfs/dbraw/zinc/25/42/05/560254205.db2.gz KHDNWBBMRMXPBK-IBGZPJMESA-N 0 3 352.438 2.749 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000451236053 560294924 /nfs/dbraw/zinc/29/49/24/560294924.db2.gz MKIDWSUKJZIZAP-GUYCJALGSA-N 0 3 353.463 2.332 20 30 FEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451238807 560295174 /nfs/dbraw/zinc/29/51/74/560295174.db2.gz DXPDJKIYTBXUEY-IUODEOHRSA-N 0 3 355.891 2.367 20 30 FEEDHN CC1(C)COC[C@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451810501 560330012 /nfs/dbraw/zinc/33/00/12/560330012.db2.gz OWOXUJJVETYTLJ-OAHLLOKOSA-N 0 3 354.372 2.188 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453608152 560391012 /nfs/dbraw/zinc/39/10/12/560391012.db2.gz OQDQVAAIXZORJJ-ZDUSSCGKSA-N 0 3 362.861 2.193 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnn(CCC)c2C2CC2)CC1 ZINC000453638539 560392541 /nfs/dbraw/zinc/39/25/41/560392541.db2.gz IYGTVOWAZLOGOY-UHFFFAOYSA-N 0 3 373.501 2.266 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)c(Cl)c1 ZINC000453645600 560393087 /nfs/dbraw/zinc/39/30/87/560393087.db2.gz SVXJBWNETZRXCR-HNNXBMFYSA-N 0 3 374.872 2.431 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453650639 560393400 /nfs/dbraw/zinc/39/34/00/560393400.db2.gz HYKAGTHKUAYGGH-CQSZACIVSA-N 0 3 362.861 2.335 20 30 FEEDHN CN(C)CCc1ccccc1NC(=O)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000454032569 560423518 /nfs/dbraw/zinc/42/35/18/560423518.db2.gz HNPQGHUYMQJEPW-UHFFFAOYSA-N 0 3 368.412 2.056 20 30 FEEDHN C=CCC1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCC1 ZINC000455479645 560483899 /nfs/dbraw/zinc/48/38/99/560483899.db2.gz OSDSNJGTCIHQPV-UHFFFAOYSA-N 0 3 362.518 2.073 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O)C(C)C ZINC000455623033 560489667 /nfs/dbraw/zinc/48/96/67/560489667.db2.gz MCLXFXKNERBEIB-RCCFBDPRSA-N 0 3 362.518 2.138 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCN3CCCC3(C)C)C2)n1 ZINC000457052148 560545848 /nfs/dbraw/zinc/54/58/48/560545848.db2.gz INOJRDSHFIVLSR-SFHVURJKSA-N 0 3 369.513 2.469 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000459038709 560663215 /nfs/dbraw/zinc/66/32/15/560663215.db2.gz WKTHGXJDNXGDMP-WTGUMLROSA-N 0 3 355.482 2.493 20 30 FEEDHN CCCN(CCN1CCN(CC)CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459515319 560691201 /nfs/dbraw/zinc/69/12/01/560691201.db2.gz DLJPJMXUVSHAFU-UHFFFAOYSA-N 0 3 359.474 2.316 20 30 FEEDHN COc1cc(C#N)ccc1OCCNC1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000459795046 560708650 /nfs/dbraw/zinc/70/86/50/560708650.db2.gz XHOLZNVCHXWAJX-UHFFFAOYSA-N 0 3 369.465 2.215 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000460754699 560750902 /nfs/dbraw/zinc/75/09/02/560750902.db2.gz CIEXYVCKYLMADK-RBUKOAKNSA-N 0 3 366.550 2.027 20 30 FEEDHN N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000461482731 560773730 /nfs/dbraw/zinc/77/37/30/560773730.db2.gz SBFWOPNIZREIHS-OALUTQOASA-N 0 3 372.488 2.389 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000461962773 560789843 /nfs/dbraw/zinc/78/98/43/560789843.db2.gz GZCVCUOPCKTHSC-YLJYHZDGSA-N 0 3 369.513 2.316 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000465899418 560875616 /nfs/dbraw/zinc/87/56/16/560875616.db2.gz GEWQBVXUUSGSNJ-UHFFFAOYSA-N 0 3 362.449 2.386 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2cccnc2)c1 ZINC000469477505 560956072 /nfs/dbraw/zinc/95/60/72/560956072.db2.gz GSSZOYFECXIHTF-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC(=O)NCc2ccccc2)cc1 ZINC000470903296 560993389 /nfs/dbraw/zinc/99/33/89/560993389.db2.gz GKYXAYQZIPWAAA-LJQANCHMSA-N 0 3 360.417 2.063 20 30 FEEDHN CCO[C@@H](C)c1noc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000470972499 560995654 /nfs/dbraw/zinc/99/56/54/560995654.db2.gz WPGUBCMOUQFYKN-XJKSGUPXSA-N 0 3 367.409 2.380 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCOCC2CCOCC2)cc1 ZINC000470977442 560995785 /nfs/dbraw/zinc/99/57/85/560995785.db2.gz WDSUQYYNSQUVQA-IBGZPJMESA-N 0 3 355.438 2.190 20 30 FEEDHN Cn1nc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000471163470 560999424 /nfs/dbraw/zinc/99/94/24/560999424.db2.gz WOSQIHZDGXHMIF-KRWDZBQOSA-N 0 3 357.417 2.486 20 30 FEEDHN C=CCN1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000472358604 561025044 /nfs/dbraw/zinc/02/50/44/561025044.db2.gz HTLKPUFLMOSVES-UHFFFAOYSA-N 0 3 360.458 2.489 20 30 FEEDHN Cc1ccccc1CN1CCC(NC(=O)COc2cccnc2C#N)CC1 ZINC000477082273 561136130 /nfs/dbraw/zinc/13/61/30/561136130.db2.gz DGUVOWRPPXSRDS-UHFFFAOYSA-N 0 3 364.449 2.421 20 30 FEEDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccccc1C#N ZINC000528489152 562331995 /nfs/dbraw/zinc/33/19/95/562331995.db2.gz HJRSBBOMGOAIAB-XVLXNVKGSA-N 0 3 366.465 2.442 20 30 FEEDHN CN1CCN(C[C@H](O)COc2ccccc2C#N)[C@@H](Cc2ccccc2)C1 ZINC000528535426 562334897 /nfs/dbraw/zinc/33/48/97/562334897.db2.gz UYIOOQDMRWLBDQ-SFTDATJTSA-N 0 3 365.477 2.157 20 30 FEEDHN N#CC(C(=O)c1ccc(Cn2ccnn2)cc1)c1nnc2n1CCCCC2 ZINC000528931626 562353305 /nfs/dbraw/zinc/35/33/05/562353305.db2.gz YEETYFJAIFAQML-INIZCTEOSA-N 0 3 361.409 2.134 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCN3C3CCCC3)cc2C1=O ZINC000530026666 562395050 /nfs/dbraw/zinc/39/50/50/562395050.db2.gz NDNXBLDCHISIER-MRXNPFEDSA-N 0 3 367.449 2.215 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCCN(C2CCCCC2)C1=O ZINC000530230610 562403024 /nfs/dbraw/zinc/40/30/24/562403024.db2.gz BIOAEHLPTRUETH-MOPGFXCFSA-N 0 3 371.481 2.211 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000530676266 562420185 /nfs/dbraw/zinc/42/01/85/562420185.db2.gz ULLZUCNIFYIXFP-CALCHBBNSA-N 0 3 355.482 2.449 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000531044476 562432772 /nfs/dbraw/zinc/43/27/72/562432772.db2.gz NCVGWPGHHKKQLT-LSDHHAIUSA-N 0 3 374.510 2.477 20 30 FEEDHN CC1CC(C#N)(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000532322353 562473890 /nfs/dbraw/zinc/47/38/90/562473890.db2.gz PLKGTNPOAZXSGG-UHFFFAOYSA-N 0 3 354.454 2.262 20 30 FEEDHN C=CCc1cc(CNC(=O)NCCNc2ccncc2)cc(OC)c1OC ZINC000534524962 562535937 /nfs/dbraw/zinc/53/59/37/562535937.db2.gz WZOOUMCDJCXFEP-UHFFFAOYSA-N 0 3 370.453 2.161 20 30 FEEDHN N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CCN(C4CC4)C3)CC2)nc1 ZINC000536651857 562580438 /nfs/dbraw/zinc/58/04/38/562580438.db2.gz MCIDAYZQJODTEN-PQUAAJSLSA-N 0 3 369.469 2.179 20 30 FEEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000540686561 562591245 /nfs/dbraw/zinc/59/12/45/562591245.db2.gz PVYVSXVXMOYYGC-SJLPKXTDSA-N 0 3 351.468 2.077 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)CCN(C)c1ccncc1 ZINC000541524417 562614234 /nfs/dbraw/zinc/61/42/34/562614234.db2.gz VNWLBBIXEHQILK-UHFFFAOYSA-N 0 3 354.410 2.443 20 30 FEEDHN CC(=O)Nc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nc1 ZINC000542004765 562625420 /nfs/dbraw/zinc/62/54/20/562625420.db2.gz RCNWDSAFKZMGOG-UHFFFAOYSA-N 0 3 365.437 2.116 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCSC[C@H](C)C1)C(C)C ZINC000556206496 674392142 /nfs/dbraw/zinc/39/21/42/674392142.db2.gz LBWBMJUTSGGSOM-IAGOWNOFSA-N 0 3 367.559 2.013 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000601759576 567829305 /nfs/dbraw/zinc/82/93/05/567829305.db2.gz NFBAODQNAQNRRM-KBPBESRZSA-N 0 3 351.332 2.270 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N3CCC(C)(C#N)CC3)ccc2[nH]c1=O ZINC000602141174 567935241 /nfs/dbraw/zinc/93/52/41/567935241.db2.gz INHHRNAZRWRUHR-UHFFFAOYSA-N 0 3 355.442 2.069 20 30 FEEDHN CCNC(=O)COc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602517610 567986758 /nfs/dbraw/zinc/98/67/58/567986758.db2.gz HQILCTKCGJYILJ-INIZCTEOSA-N 0 3 359.470 2.390 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000602525260 567987729 /nfs/dbraw/zinc/98/77/29/567987729.db2.gz JFTNWDBZTXYXKJ-GZBFAFLISA-N 0 3 355.360 2.448 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000602510603 567989166 /nfs/dbraw/zinc/98/91/66/567989166.db2.gz KCGZISJTVMZIGN-QGZVFWFLSA-N 0 3 357.502 2.022 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602543500 567989901 /nfs/dbraw/zinc/98/99/01/567989901.db2.gz BPUDEICYKOPASJ-UONOGXRCSA-N 0 3 366.824 2.112 20 30 FEEDHN CN(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602583906 567994139 /nfs/dbraw/zinc/99/41/39/567994139.db2.gz VLVVMYMWWCAFAK-HUUCEWRRSA-N 0 3 356.392 2.445 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CC[C@H](c3ccc4cccnc4n3)C2)CCOCC1 ZINC000602882022 568004615 /nfs/dbraw/zinc/00/46/15/568004615.db2.gz IRNKZSADTPSTSQ-ZWKOTPCHSA-N 0 3 366.465 2.490 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CC[C@@H](c3ccc4cccnc4n3)C2)CCOCC1 ZINC000602882020 568004690 /nfs/dbraw/zinc/00/46/90/568004690.db2.gz IRNKZSADTPSTSQ-QZTJIDSGSA-N 0 3 366.465 2.490 20 30 FEEDHN N#CC1(Cc2cn(CC(=O)NC3CCN(C4CC4)CC3)nn2)CCCCC1 ZINC000603209858 568076133 /nfs/dbraw/zinc/07/61/33/568076133.db2.gz CAXSAMILMLJFBU-UHFFFAOYSA-N 0 3 370.501 2.038 20 30 FEEDHN N#CCCN(C(=O)CN1CCCN(C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000603848320 568163379 /nfs/dbraw/zinc/16/33/79/568163379.db2.gz KTQHBPQHEOGRCI-HXUWFJFHSA-N 0 3 370.497 2.120 20 30 FEEDHN COC(=O)c1cccc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)c1C#N ZINC000569777931 568423945 /nfs/dbraw/zinc/42/39/45/568423945.db2.gz UTCJXOXTAPSYRG-OALUTQOASA-N 0 3 357.454 2.078 20 30 FEEDHN CN1CC[C@@H](NCc2cnc3c(C#N)cnn3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000569811151 568426689 /nfs/dbraw/zinc/42/66/89/568426689.db2.gz NHQCHIMCTMYYQI-QZTJIDSGSA-N 0 3 368.391 2.414 20 30 FEEDHN CC[NH+](CC)CC#C[C@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821182531 607322627 /nfs/dbraw/zinc/32/26/27/607322627.db2.gz WCOJQSQLVXPAGS-LHNRBYRGSA-N 0 3 353.426 2.157 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2Cc3ccc(Cl)cc3C2)nc1 ZINC000808756869 674471093 /nfs/dbraw/zinc/47/10/93/674471093.db2.gz ZABVVHKOJITXML-MRXNPFEDSA-N 0 3 361.854 2.137 20 30 FEEDHN C=CCC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000819734488 607390038 /nfs/dbraw/zinc/39/00/38/607390038.db2.gz PEHTUXSUMQUFMU-PBHICJAKSA-N 0 3 364.457 2.402 20 30 FEEDHN C=CCC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1 ZINC000819734488 607390040 /nfs/dbraw/zinc/39/00/40/607390040.db2.gz PEHTUXSUMQUFMU-PBHICJAKSA-N 0 3 364.457 2.402 20 30 FEEDHN CC(C)N1CCN(C2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)CC1 ZINC000833499344 604938759 /nfs/dbraw/zinc/93/87/59/604938759.db2.gz NUTFPCBEFBSGAO-FQEVSTJZSA-N 0 3 370.497 2.174 20 30 FEEDHN N#Cc1ccc2c(c1)[C@@H](NCCNS(=O)(=O)Cc1ccccc1)CC2 ZINC000810211087 674536933 /nfs/dbraw/zinc/53/69/33/674536933.db2.gz MBYIUDUGUJQGJZ-IBGZPJMESA-N 0 3 355.463 2.255 20 30 FEEDHN C#C[C@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811859556 674633976 /nfs/dbraw/zinc/63/39/76/674633976.db2.gz UCZVBKMSYGBVLY-SFHVURJKSA-N 0 3 362.905 2.341 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000113651607 670886364 /nfs/dbraw/zinc/88/63/64/670886364.db2.gz AOUCMWJYODVQRC-WCQYABFASA-N 0 3 370.808 2.498 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000573656856 671148457 /nfs/dbraw/zinc/14/84/57/671148457.db2.gz LCTGJWMYMUCBRG-CQSZACIVSA-N 0 3 360.845 2.041 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNCCSCC(F)(F)F)c1 ZINC000573676850 671150277 /nfs/dbraw/zinc/15/02/77/671150277.db2.gz RPYABCGZMWDGTE-UHFFFAOYSA-N 0 3 352.403 2.217 20 30 FEEDHN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000577844763 671623934 /nfs/dbraw/zinc/62/39/34/671623934.db2.gz AXTPTMDCKWMOJT-MRXNPFEDSA-N 0 3 361.511 2.389 20 30 FEEDHN C[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000579177074 671716967 /nfs/dbraw/zinc/71/69/67/671716967.db2.gz OGXVJWZFCRJJND-KDOFPFPSSA-N 0 3 360.889 2.310 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCCOC2CCCCC2)nc1 ZINC000579642765 671750207 /nfs/dbraw/zinc/75/02/07/671750207.db2.gz WBCKNWFAJPCGIA-UHFFFAOYSA-N 0 3 351.472 2.056 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000124234459 671993305 /nfs/dbraw/zinc/99/33/05/671993305.db2.gz ZZJYVBLALZVCSW-SWLSCSKDSA-N 0 3 352.818 2.359 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCN(Cc3ccc(CC)s3)CC2)CC1 ZINC000128661515 672051513 /nfs/dbraw/zinc/05/15/13/672051513.db2.gz SNYMOKCZSCDCDH-UHFFFAOYSA-N 0 3 359.539 2.300 20 30 FEEDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000583592546 672109598 /nfs/dbraw/zinc/10/95/98/672109598.db2.gz MXEIDNVLXHJWJI-NSHDSACASA-N 0 3 374.304 2.328 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000189278299 672612239 /nfs/dbraw/zinc/61/22/39/672612239.db2.gz ODMLEGARLSBYCY-HNNXBMFYSA-N 0 3 351.491 2.400 20 30 FEEDHN CC[C@]1(NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOC1 ZINC000683045622 672809482 /nfs/dbraw/zinc/80/94/82/672809482.db2.gz ZNZRDLXKOJMKMM-KRWDZBQOSA-N 0 3 354.372 2.332 20 30 FEEDHN N#Cc1sccc1S(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593588852 672951915 /nfs/dbraw/zinc/95/19/15/672951915.db2.gz NSWUWMHTXLVNBX-HNNXBMFYSA-N 0 3 361.492 2.420 20 30 FEEDHN CC1CCN([C@H](CNC(=O)NC[C@H]2COCCO2)c2cccs2)CC1 ZINC000328764534 673066475 /nfs/dbraw/zinc/06/64/75/673066475.db2.gz GGQWESCYNJMIRM-JKSUJKDBSA-N 0 3 367.515 2.440 20 30 FEEDHN CN1CC[C@H](NC(=O)[C@H](N)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594445835 673072713 /nfs/dbraw/zinc/07/27/13/673072713.db2.gz KYFZGEBVBMWIPH-IXDOHACOSA-N 0 3 350.413 2.237 20 30 FEEDHN CC[C@@H]1CN(C(=O)NC[C@@H]2CCCN(CC(C)C)C2)C[C@@H](C)S1(=O)=O ZINC000329804624 673083650 /nfs/dbraw/zinc/08/36/50/673083650.db2.gz KGFVYFCITYSLMA-IXDOHACOSA-N 0 3 373.563 2.166 20 30 FEEDHN Cn1cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)c(=O)[nH]c1=O ZINC000613392306 676127249 /nfs/dbraw/zinc/12/72/49/676127249.db2.gz NSELKGFGLXNVCF-LLVKDONJSA-N 0 3 352.375 2.099 20 30 FEEDHN C=CCN(CC(=O)N1CCN(C(=O)OCC)CC1)CC1CCCCC1 ZINC000732667599 673377292 /nfs/dbraw/zinc/37/72/92/673377292.db2.gz SZQKVPPHJNCDBO-UHFFFAOYSA-N 0 3 351.491 2.355 20 30 FEEDHN COc1ncc(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cn1 ZINC000734080217 673451458 /nfs/dbraw/zinc/45/14/58/673451458.db2.gz MBYYQCUSVDIEPV-LLVKDONJSA-N 0 3 360.757 2.108 20 30 FEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000740528972 673648301 /nfs/dbraw/zinc/64/83/01/673648301.db2.gz DNQSKWUGLLHDJF-YEWTVFCHSA-N 0 3 360.797 2.229 20 30 FEEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599308841 673656683 /nfs/dbraw/zinc/65/66/83/673656683.db2.gz YBLWIZNHNUVWND-VFHHBZAHSA-N 0 3 364.511 2.488 20 30 FEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000747203997 673912531 /nfs/dbraw/zinc/91/25/31/673912531.db2.gz GHXXPTRXUHMXMT-CJNGLKHVSA-N 0 3 364.467 2.213 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000818588900 675226103 /nfs/dbraw/zinc/22/61/03/675226103.db2.gz JFZFWKARGUUVRH-UHFFFAOYSA-N 0 3 350.875 2.487 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC000818602916 675227738 /nfs/dbraw/zinc/22/77/38/675227738.db2.gz JMSRAYYDAVVHBZ-HOTGVXAUSA-N 0 3 351.491 2.093 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2NCC2(C)C)nc1C ZINC000826530642 675690328 /nfs/dbraw/zinc/69/03/28/675690328.db2.gz HPAIPFIOAMZYPB-SNVBAGLBSA-N 0 3 364.500 2.121 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@@H]1CCCNC1=O ZINC000839197001 680744059 /nfs/dbraw/zinc/74/40/59/680744059.db2.gz ZCGQENAFMPQMLG-LBPRGKRZSA-N 0 3 351.244 2.077 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C[C@H]2CC(C)(C)CO2)CC1 ZINC000982179563 680272953 /nfs/dbraw/zinc/27/29/53/680272953.db2.gz WVYAEZLNWMMVDA-SQNIBIBYSA-N 0 3 350.503 2.317 20 30 FEEDHN Cn1ncc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000835065025 680292503 /nfs/dbraw/zinc/29/25/03/680292503.db2.gz JWRQPWANPZFVMV-LLVKDONJSA-N 0 3 366.208 2.402 20 30 FEEDHN C[C@@H]1CC(N=Nc2ncnc3c2c(Br)nn3C)CN1C1CC1 ZINC000753959186 680326990 /nfs/dbraw/zinc/32/69/90/680326990.db2.gz FLPGFPKWEACOIP-MRVPVSSYSA-N 0 3 364.251 2.150 20 30 FEEDHN CC[C@H](C(=O)N1CC[C@H]2CN(c3nc(Cl)c(C#N)s3)C[C@H]21)N(C)C ZINC001040671491 680482373 /nfs/dbraw/zinc/48/23/73/680482373.db2.gz SUZXQXPIYKAEBN-QJPTWQEYSA-N 0 3 367.906 2.045 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043359634 680577473 /nfs/dbraw/zinc/57/74/73/680577473.db2.gz VTWXSVCDXSVUOH-IRUJWGPZSA-N 0 3 367.906 2.267 20 30 FEEDHN Cc1nn(C)c(C)c1OCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000758506293 680587695 /nfs/dbraw/zinc/58/76/95/680587695.db2.gz COKCNMGRLKCJET-GFCCVEGCSA-N 0 3 360.801 2.417 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001050144246 681042182 /nfs/dbraw/zinc/04/21/82/681042182.db2.gz MYBDPHWHZMMJIT-HPBDAGMYSA-N 0 3 361.511 2.200 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCC[C@@]1(O)CCCOC1 ZINC000846110869 681184420 /nfs/dbraw/zinc/18/44/20/681184420.db2.gz PIJCIBYDIIZKJA-KRWDZBQOSA-N 0 3 368.271 2.482 20 30 FEEDHN CCCCCCCCCS(=O)(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000846230380 681205630 /nfs/dbraw/zinc/20/56/30/681205630.db2.gz QNDZLBUSKYHTAH-KRWDZBQOSA-N 0 3 371.551 2.454 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)NC1CC1)c1ccccc1Br ZINC000847623555 681407321 /nfs/dbraw/zinc/40/73/21/681407321.db2.gz ASVNGUSIFBUDNH-FZMZJTMJSA-N 0 3 351.200 2.124 20 30 FEEDHN C=CCN1CC[C@@H](N[C@](C)(CO)Cc2ccc(Br)cc2)C1=O ZINC000933443820 681413889 /nfs/dbraw/zinc/41/38/89/681413889.db2.gz ZMSWJCAZYFCENU-WBVHZDCISA-N 0 3 367.287 2.119 20 30 FEEDHN C#CCOc1cccc(Cl)c1CNCCCN(C)S(=O)(=O)CC ZINC000778155579 681580971 /nfs/dbraw/zinc/58/09/71/681580971.db2.gz FLBBCTAKQXKMBF-UHFFFAOYSA-N 0 3 358.891 2.113 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000783536293 682150823 /nfs/dbraw/zinc/15/08/23/682150823.db2.gz KLFCZBSBKDDSIC-HUUCEWRRSA-N 0 3 360.520 2.355 20 30 FEEDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@@H]2C1 ZINC000916666495 685526874 /nfs/dbraw/zinc/52/68/74/685526874.db2.gz OTLXGMSXCHXTNU-OLZOCXBDSA-N 0 3 373.400 2.149 20 30 FEEDHN N#CC(C(=O)COc1ccc(F)cc1Br)C(=O)N1CCCC1 ZINC000916866858 685528282 /nfs/dbraw/zinc/52/82/82/685528282.db2.gz JYPPSVNWUDBXOT-NSHDSACASA-N 0 3 369.190 2.298 20 30 FEEDHN Cc1nc(CC(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cs1 ZINC000916964923 685528723 /nfs/dbraw/zinc/52/87/23/685528723.db2.gz CMQSVRGQTYRPGK-ZDUSSCGKSA-N 0 3 357.391 2.113 20 30 FEEDHN COC(=O)N(C)CCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852570175 682301411 /nfs/dbraw/zinc/30/14/11/682301411.db2.gz OTQXKSZEHIJSID-LBPRGKRZSA-N 0 3 360.439 2.103 20 30 FEEDHN C#CCCN(CCOC)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000853050709 682368444 /nfs/dbraw/zinc/36/84/44/682368444.db2.gz NYMOEESOGPIFGV-UHFFFAOYSA-N 0 3 359.539 2.497 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C[C@H]21 ZINC000972339383 682407564 /nfs/dbraw/zinc/40/75/64/682407564.db2.gz DQADDDNLUFDVPI-NUEKZKHPSA-N 0 3 367.921 2.309 20 30 FEEDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)CSCC#N)C2)ccn1 ZINC000856658633 682795402 /nfs/dbraw/zinc/79/54/02/682795402.db2.gz CWSBINSKOWCNMV-KRWDZBQOSA-N 0 3 362.499 2.158 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000861837399 683483230 /nfs/dbraw/zinc/48/32/30/683483230.db2.gz CGGFLAJPYXQCFO-UHFFFAOYSA-N 0 3 354.204 2.042 20 30 FEEDHN C#CCN(C(=O)NCCSCCC(F)(F)F)C1CCN(C)CC1 ZINC000923914770 684367931 /nfs/dbraw/zinc/36/79/31/684367931.db2.gz ZIHCAYGASLFVNB-UHFFFAOYSA-N 0 3 351.438 2.411 20 30 FEEDHN C=C(C)CN1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC000872299702 684935701 /nfs/dbraw/zinc/93/57/01/684935701.db2.gz PVTIRGMEAWBPNH-KFWWJZLASA-N 0 3 351.447 2.077 20 30 FEEDHN COC(=O)CCCN1CCC(N=Nc2cc(Br)ncn2)CC1 ZINC000872435925 684948316 /nfs/dbraw/zinc/94/83/16/684948316.db2.gz LAEIXKRZHLKNOH-UHFFFAOYSA-N 0 3 370.251 2.056 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CC)CC ZINC000876557257 686219383 /nfs/dbraw/zinc/21/93/83/686219383.db2.gz DCIUSCHQJAKQML-HZPDHXFCSA-N 0 3 351.878 2.052 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000876634165 686234093 /nfs/dbraw/zinc/23/40/93/686234093.db2.gz ZSUXRIZXPUEUGZ-LBPRGKRZSA-N 0 3 353.831 2.290 20 30 FEEDHN CN(C)[C@H](CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)c1cccs1 ZINC000876710154 686249735 /nfs/dbraw/zinc/24/97/35/686249735.db2.gz FLAHNLONRGIJOU-SJLPKXTDSA-N 0 3 354.479 2.226 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000876895648 686289917 /nfs/dbraw/zinc/28/99/17/686289917.db2.gz HMGWXHHHNBXBNJ-ZDUSSCGKSA-N 0 3 354.241 2.315 20 30 FEEDHN C=CC[C@@H](CO)CNCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877129912 686329494 /nfs/dbraw/zinc/32/94/94/686329494.db2.gz GSTBRXUKJDSOFK-CYBMUJFWSA-N 0 3 351.447 2.283 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@H](O)c1cc3ccccc3s1)C2 ZINC000884140252 687798749 /nfs/dbraw/zinc/79/87/49/687798749.db2.gz NZYPYDTWBSPWKE-LPRCSBTHSA-N 0 3 355.463 2.190 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)C2 ZINC000884144988 687799947 /nfs/dbraw/zinc/79/99/47/687799947.db2.gz ZLNRWUNMDKORPZ-WLBPZHLASA-N 0 3 368.264 2.282 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCO[C@@H](c3cccc(Cl)c3)C1)C2 ZINC000884316401 687845815 /nfs/dbraw/zinc/84/58/15/687845815.db2.gz RGHFIXXKWMCGMW-QXCFYTAISA-N 0 3 359.857 2.379 20 30 FEEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886109880 688204588 /nfs/dbraw/zinc/20/45/88/688204588.db2.gz UHRFZULJCIDMJA-GDBMZVCRSA-N 0 3 365.499 2.032 20 30 FEEDHN C#CCN(C(=O)[C@@H](O)c1cccc(Br)c1)C1CCN(C)CC1 ZINC000886572645 688278178 /nfs/dbraw/zinc/27/81/78/688278178.db2.gz VCLXCJZIKODTSJ-INIZCTEOSA-N 0 3 365.271 2.039 20 30 FEEDHN C#CCN(C(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886577265 688278830 /nfs/dbraw/zinc/27/88/30/688278830.db2.gz BWSKWTNEVXSJCV-OAHLLOKOSA-N 0 3 351.491 2.236 20 30 FEEDHN C#CCN(C(=O)c1cc(Br)cn1CC)C1CCN(C)CC1 ZINC000886582503 688279608 /nfs/dbraw/zinc/27/96/08/688279608.db2.gz XOPYDBKVOAVSQK-UHFFFAOYSA-N 0 3 352.276 2.440 20 30 FEEDHN C#CCN(C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1)C1CCN(C)CC1 ZINC000886589396 688280473 /nfs/dbraw/zinc/28/04/73/688280473.db2.gz UDPJTBADWJLWKX-CQSZACIVSA-N 0 3 361.873 2.014 20 30 FEEDHN COC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCOC1 ZINC000886910900 688339579 /nfs/dbraw/zinc/33/95/79/688339579.db2.gz XNDVJNPEIRXLHG-BBRMVZONSA-N 0 3 351.834 2.181 20 30 FEEDHN CSc1nccnc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000888954150 688709378 /nfs/dbraw/zinc/70/93/78/688709378.db2.gz HLRQESQOLBDSNW-UHFFFAOYSA-N 0 3 355.467 2.274 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892495405 689203537 /nfs/dbraw/zinc/20/35/37/689203537.db2.gz BFYJHLRDCAAGDH-AEJSXWLSSA-N 0 3 355.177 2.450 20 30 FEEDHN C[C@@H]1[C@H](NC(=O)NCc2nc(C#N)cs2)CCN1Cc1ccccc1 ZINC000894884960 689614041 /nfs/dbraw/zinc/61/40/41/689614041.db2.gz MSMNOAVGUAZKAU-CZUORRHYSA-N 0 3 355.467 2.477 20 30 FEEDHN CNS(=O)(=O)c1ccc(N2CCN(CC(C)(C)CCC#N)CC2)cc1 ZINC000895561568 689735816 /nfs/dbraw/zinc/73/58/16/689735816.db2.gz RNFCCKOURFFVIC-UHFFFAOYSA-N 0 3 364.515 2.047 20 30 FEEDHN Cc1ccc(CN2CC[C@@H](NC(=O)NCc3nc(C#N)cs3)C2)cc1 ZINC000896140899 689825773 /nfs/dbraw/zinc/82/57/73/689825773.db2.gz JISVBRNMPMSMPF-OAHLLOKOSA-N 0 3 355.467 2.397 20 30 FEEDHN CC[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000902886658 690817386 /nfs/dbraw/zinc/81/73/86/690817386.db2.gz QSJBGLUFXXIONG-JKSUJKDBSA-N 0 3 364.492 2.495 20 30 FEEDHN Cc1ccc(CN2CC[C@@H](CN(C)S(=O)(=O)CC3(C#N)CC3)C2)s1 ZINC000907344838 691457850 /nfs/dbraw/zinc/45/78/50/691457850.db2.gz GKHCTWGJOCWXBB-HNNXBMFYSA-N 0 3 367.540 2.444 20 30 FEEDHN CNC(=O)CN1CCCC12CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164687292 719719034 /nfs/dbraw/zinc/71/90/34/719719034.db2.gz VTTYFZHCACDVET-UHFFFAOYSA-N 0 3 367.497 2.208 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)ncc4C#N)C[C@H]3C2)cn1 ZINC001164771594 721083329 /nfs/dbraw/zinc/08/33/29/721083329.db2.gz SDUVWHIHUVYMOZ-GOEBONIOSA-N 0 3 356.861 2.298 20 30 FEEDHN CN(C)[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)c1cccs1 ZINC000549110895 674017377 /nfs/dbraw/zinc/01/73/77/674017377.db2.gz DRFSHMZWHLPPJO-MRXNPFEDSA-N 0 3 363.508 2.286 20 30 FEEDHN N#CC1(CCCOC(=O)C2CC[C@H](C(F)(F)F)NC2=O)CCOCC1 ZINC000800131336 674022772 /nfs/dbraw/zinc/02/27/72/674022772.db2.gz OMXILTFTBUAPTB-NWDGAFQWSA-N 0 3 362.348 2.087 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)N1CCC[C@@H](C)C1 ZINC000041655009 540029684 /nfs/dbraw/zinc/02/96/84/540029684.db2.gz HRRRLWPMNGNYJJ-OLZOCXBDSA-N 0 3 362.861 2.387 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NCCN3CCCC[C@@H]3C)cc2C1=O ZINC000044532640 540129626 /nfs/dbraw/zinc/12/96/26/540129626.db2.gz XCGBNAORUIBNGX-AWEZNQCLSA-N 0 3 355.438 2.073 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000066660465 541356520 /nfs/dbraw/zinc/35/65/20/541356520.db2.gz JTUGTINDADLEJK-UHFFFAOYSA-N 0 3 367.409 2.373 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)CC1 ZINC000066678848 541359016 /nfs/dbraw/zinc/35/90/16/541359016.db2.gz BZJJYWILBZILFL-UHFFFAOYSA-N 0 3 353.426 2.209 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000066921775 541393707 /nfs/dbraw/zinc/39/37/07/541393707.db2.gz RTSOUNMDFDWELB-FQEVSTJZSA-N 0 3 354.450 2.370 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)CC1 ZINC000067210963 541432944 /nfs/dbraw/zinc/43/29/44/541432944.db2.gz HNOUOTNIUBQLQQ-UHFFFAOYSA-N 0 3 368.481 2.276 20 30 FEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3cncn3)cc2)n1 ZINC000067896301 541526230 /nfs/dbraw/zinc/52/62/30/541526230.db2.gz ZCEDFVDGGIOUCA-CYBMUJFWSA-N 0 3 367.390 2.391 20 30 FEEDHN C=C(C)COc1cc(CNCC(C)(C)NS(C)(=O)=O)ccc1OC ZINC000068990322 541646672 /nfs/dbraw/zinc/64/66/72/541646672.db2.gz RZSSPQZXMHKRHX-UHFFFAOYSA-N 0 3 356.488 2.068 20 30 FEEDHN C[C@H](OC[C@H]1CCCCO1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000069354571 541680381 /nfs/dbraw/zinc/68/03/81/541680381.db2.gz CMIOLGWCTRMLGU-FXAWDEMLSA-N 0 3 373.497 2.423 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069473492 541688720 /nfs/dbraw/zinc/68/87/20/541688720.db2.gz WMFYKDANSNCCQG-IRXDYDNUSA-N 0 3 373.476 2.402 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000072631228 541841513 /nfs/dbraw/zinc/84/15/13/541841513.db2.gz XZUWJRHUOJWNQD-LJQANCHMSA-N 0 3 356.470 2.074 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc3c2CN(CCC)C3)CC1 ZINC000076512723 542287594 /nfs/dbraw/zinc/28/75/94/542287594.db2.gz NIOGTIJDXMTVBY-UHFFFAOYSA-N 0 3 370.497 2.117 20 30 FEEDHN C=CCCCN(C)[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000076736343 542319531 /nfs/dbraw/zinc/31/95/31/542319531.db2.gz XHEYWCWPGVAPPA-SFHVURJKSA-N 0 3 359.514 2.422 20 30 FEEDHN C=CCN1CCC(NC(=O)NCC(=O)OCc2ccccc2Cl)CC1 ZINC000076984293 542338838 /nfs/dbraw/zinc/33/88/38/542338838.db2.gz SMQWHPKDUJQOCY-UHFFFAOYSA-N 0 3 365.861 2.333 20 30 FEEDHN N#Cc1ccsc1N1CC[C@@H](OC(=O)C2CCN(C3CC3)CC2)C1=O ZINC000801873432 674153593 /nfs/dbraw/zinc/15/35/93/674153593.db2.gz SMHRVZFLWXMBRQ-OAHLLOKOSA-N 0 3 359.451 2.143 20 30 FEEDHN COc1cccc([C@@H](C)N2CCN(CCC(=O)N(C)CCC#N)CC2)c1 ZINC000092796132 542887416 /nfs/dbraw/zinc/88/74/16/542887416.db2.gz RISGTPPQNHRDCK-QGZVFWFLSA-N 0 3 358.486 2.136 20 30 FEEDHN N#CCCN(C(=O)CCC(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000102821330 543082180 /nfs/dbraw/zinc/08/21/80/543082180.db2.gz SIBPOJAVBTUZBV-UHFFFAOYSA-N 0 3 368.481 2.456 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)ccc1F ZINC000107874172 543280307 /nfs/dbraw/zinc/28/03/07/543280307.db2.gz RHGDIISEDJUVAF-MRXNPFEDSA-N 0 3 358.417 2.113 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000112549186 543451178 /nfs/dbraw/zinc/45/11/78/543451178.db2.gz QHZLXOHMVGCEMQ-HIFRSBDPSA-N 0 3 359.499 2.156 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000115678878 543581183 /nfs/dbraw/zinc/58/11/83/543581183.db2.gz GOWMSESGPSFWIK-OAHLLOKOSA-N 0 3 369.473 2.063 20 30 FEEDHN Cn1cc(C(N)=O)cc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000120721954 543683510 /nfs/dbraw/zinc/68/35/10/543683510.db2.gz WKFLLPDLQHMSPR-LBPRGKRZSA-N 0 3 351.391 2.133 20 30 FEEDHN CCn1cc(NC(=O)C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cn1 ZINC000124449854 543822834 /nfs/dbraw/zinc/82/28/34/543822834.db2.gz KEXFAMFAHJBZGO-LJQANCHMSA-N 0 3 367.453 2.159 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1c(C)noc1CC)C(C)C ZINC000124921665 543851144 /nfs/dbraw/zinc/85/11/44/543851144.db2.gz MUXDSXLUWUMXTF-OAHLLOKOSA-N 0 3 362.474 2.299 20 30 FEEDHN N#Cc1ccc([C@H](O)CN[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000126904997 543963165 /nfs/dbraw/zinc/96/31/65/543963165.db2.gz VVJAKWFIZCRQLC-NHCUHLMSSA-N 0 3 351.450 2.255 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000127735800 544010907 /nfs/dbraw/zinc/01/09/07/544010907.db2.gz ICVQUAIKXCOQDG-QZTJIDSGSA-N 0 3 358.467 2.302 20 30 FEEDHN C[C@H]1CN(CCCCNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000132284167 544225686 /nfs/dbraw/zinc/22/56/86/544225686.db2.gz AHJUHEDMWRIADF-STQMWFEESA-N 0 3 351.397 2.456 20 30 FEEDHN N#Cc1ccc(CN2CCC[N@@H+](CCC[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000154241466 544880231 /nfs/dbraw/zinc/88/02/31/544880231.db2.gz BRDNAIVPUKYWSO-UHFFFAOYSA-N 0 3 368.403 2.135 20 30 FEEDHN N#Cc1ccc(CN2CCC[N@H+](CCC[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000154241466 544880237 /nfs/dbraw/zinc/88/02/37/544880237.db2.gz BRDNAIVPUKYWSO-UHFFFAOYSA-N 0 3 368.403 2.135 20 30 FEEDHN CC[C@H](NCCOc1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 ZINC000183031566 327798195 /nfs/dbraw/zinc/79/81/95/327798195.db2.gz WPSFXCOGEVPTFV-SFHVURJKSA-N 0 3 359.451 2.325 20 30 FEEDHN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1COc2ccccc21 ZINC000185592121 327923968 /nfs/dbraw/zinc/92/39/68/327923968.db2.gz RDODVBHWPNFSCT-KSSFIOAISA-N 0 3 356.447 2.486 20 30 FEEDHN COC(=O)COc1ccc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000185671579 327927204 /nfs/dbraw/zinc/92/72/04/327927204.db2.gz GNBBIMKFOVFWPJ-IFXJQAMLSA-N 0 3 354.406 2.494 20 30 FEEDHN CCOC(=O)C[C@](C)(NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000186689463 327976377 /nfs/dbraw/zinc/97/63/77/327976377.db2.gz ICCVYEDNCCPJSS-SFHVURJKSA-N 0 3 366.483 2.289 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1sccc1C#N ZINC000188150932 328069545 /nfs/dbraw/zinc/06/95/45/328069545.db2.gz LOGQVZIGYSUAOH-LJQANCHMSA-N 0 3 355.463 2.329 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NCCN3CCCC[C@H]3C)CC2)o1 ZINC000189107745 328129032 /nfs/dbraw/zinc/12/90/32/328129032.db2.gz SDNCPOCDUIGPDV-CQSZACIVSA-N 0 3 359.474 2.062 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)CN3CCC[C@H](C)C3)CC2)o1 ZINC000189219741 328135576 /nfs/dbraw/zinc/13/55/76/328135576.db2.gz PHMBWMQRTNROTR-GJZGRUSLSA-N 0 3 373.501 2.308 20 30 FEEDHN Cn1cc(CNc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1C#N ZINC000190828032 328234528 /nfs/dbraw/zinc/23/45/28/328234528.db2.gz VGUSLQJNCGQKHA-UHFFFAOYSA-N 0 3 351.454 2.206 20 30 FEEDHN N#Cc1ccc(Br)c(CN2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000191794917 328282251 /nfs/dbraw/zinc/28/22/51/328282251.db2.gz SRAVVGHJQYQLCC-HNNXBMFYSA-N 0 3 364.287 2.475 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000053399222 324739567 /nfs/dbraw/zinc/73/95/67/324739567.db2.gz SWYKZTOCCKZOIT-IBGZPJMESA-N 0 3 371.481 2.022 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000061049197 324854756 /nfs/dbraw/zinc/85/47/56/324854756.db2.gz CNNQAXASXYFRBR-LJQANCHMSA-N 0 3 371.481 2.022 20 30 FEEDHN COC(=O)[C@H](C)[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000079923247 325110332 /nfs/dbraw/zinc/11/03/32/325110332.db2.gz XQAQYLZROCISLW-MOXGXCLJSA-N 0 3 368.433 2.438 20 30 FEEDHN C[C@H](NC(C)(C)CNS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000109342999 325665634 /nfs/dbraw/zinc/66/56/34/325665634.db2.gz WKCDQTLFYPMJRH-AWEZNQCLSA-N 0 3 358.467 2.361 20 30 FEEDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000116347495 326008552 /nfs/dbraw/zinc/00/85/52/326008552.db2.gz RWIXRQABTJPGTA-LBPRGKRZSA-N 0 3 361.389 2.292 20 30 FEEDHN CCN(C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000118108645 326082322 /nfs/dbraw/zinc/08/23/22/326082322.db2.gz KEAQFPHXRNBDDG-UHFFFAOYSA-N 0 3 366.421 2.357 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)NC1CCCC1 ZINC000120317260 326249267 /nfs/dbraw/zinc/24/92/67/326249267.db2.gz RPNFZVYORISNAO-UHFFFAOYSA-N 0 3 370.497 2.287 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000120455625 326259921 /nfs/dbraw/zinc/25/99/21/326259921.db2.gz TZKLBAQDGPILEW-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN Cc1cc(NC(=O)C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)no1 ZINC000121955626 326378030 /nfs/dbraw/zinc/37/80/30/326378030.db2.gz ZYBCSQBNMFZOTP-KRWDZBQOSA-N 0 3 354.410 2.239 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1C#N ZINC000174856492 327355292 /nfs/dbraw/zinc/35/52/92/327355292.db2.gz KMQWPUZFBKSXMO-INIZCTEOSA-N 0 3 364.449 2.442 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1C#N ZINC000174851583 327355452 /nfs/dbraw/zinc/35/54/52/327355452.db2.gz MIAVXNIQCJSPKZ-MRXNPFEDSA-N 0 3 354.454 2.282 20 30 FEEDHN N#Cc1c[nH]c(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000175358875 327388980 /nfs/dbraw/zinc/38/89/80/327388980.db2.gz ATWJSKAURLABBL-UHFFFAOYSA-N 0 3 351.454 2.219 20 30 FEEDHN COCCCN(C)CCNC(=O)NCCSCc1ccccc1C#N ZINC000266453359 329224553 /nfs/dbraw/zinc/22/45/53/329224553.db2.gz CRCABDCJRLUIAH-UHFFFAOYSA-N 0 3 364.515 2.059 20 30 FEEDHN COCCN1CCCN(c2c(C#N)cnc3c(OC)cc(OC)cc32)CC1 ZINC000286419261 330183370 /nfs/dbraw/zinc/18/33/70/330183370.db2.gz PCJVSGZNCDGKNN-UHFFFAOYSA-N 0 3 370.453 2.282 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000367265178 330238028 /nfs/dbraw/zinc/23/80/28/330238028.db2.gz SYKRWFNQEGCZQN-WFASDCNBSA-N 0 3 360.845 2.235 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(Cn2ccnn2)CC1 ZINC000155756140 545565674 /nfs/dbraw/zinc/56/56/74/545565674.db2.gz ZHJRGVQCMHKHDP-IBGZPJMESA-N 0 3 356.470 2.159 20 30 FEEDHN C=CCNc1ncc(C(=O)NCc2ccnc(OCCN(C)C)c2)s1 ZINC000155998718 545591101 /nfs/dbraw/zinc/59/11/01/545591101.db2.gz QQITWPRGHKZWLB-UHFFFAOYSA-N 0 3 361.471 2.006 20 30 FEEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156909826 545676887 /nfs/dbraw/zinc/67/68/87/545676887.db2.gz BRAGIEYZUVNYKX-KXBFYZLASA-N 0 3 364.511 2.499 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000160043855 546003333 /nfs/dbraw/zinc/00/33/33/546003333.db2.gz PZAJYZPLBYNNDX-INIZCTEOSA-N 0 3 373.501 2.020 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000171709912 546219521 /nfs/dbraw/zinc/21/95/21/546219521.db2.gz PGTLASJBLLPTRW-UHFFFAOYSA-N 0 3 372.391 2.472 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cnn(Cc3ccccc3)c2)CC1 ZINC000171714170 546220288 /nfs/dbraw/zinc/22/02/88/546220288.db2.gz GCGFFKAMBPDOLY-UHFFFAOYSA-N 0 3 353.470 2.381 20 30 FEEDHN C=CCN1CCC(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000171719736 546220799 /nfs/dbraw/zinc/22/07/99/546220799.db2.gz KDEZCGCNZLIWDU-UHFFFAOYSA-N 0 3 371.481 2.497 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccccc2OCc2noc(C)n2)CC1 ZINC000171720961 546221854 /nfs/dbraw/zinc/22/18/54/546221854.db2.gz XILGNZWNQGGJTC-UHFFFAOYSA-N 0 3 356.426 2.337 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)CC1 ZINC000171737458 546222836 /nfs/dbraw/zinc/22/28/36/546222836.db2.gz KFBWQPVARWUOLT-MRXNPFEDSA-N 0 3 368.485 2.269 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C(=O)N[C@H](C)CCC)C2)CC1 ZINC000171738604 546223545 /nfs/dbraw/zinc/22/35/45/546223545.db2.gz SPGYUDNQXMWGJU-SJORKVTESA-N 0 3 364.534 2.363 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(F)ccc2OC(C)C)CC1 ZINC000173272495 546277158 /nfs/dbraw/zinc/27/71/58/546277158.db2.gz BOYAWTNYHGLQEP-UHFFFAOYSA-N 0 3 363.433 2.318 20 30 FEEDHN CC(C)(C#N)CCCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000174812782 546303972 /nfs/dbraw/zinc/30/39/72/546303972.db2.gz GBMHGGUNYABGKQ-UHFFFAOYSA-N 0 3 359.499 2.204 20 30 FEEDHN COc1ccc(C(=O)NCCN2CCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000174854794 546304626 /nfs/dbraw/zinc/30/46/26/546304626.db2.gz DUESVTKKDFIUPH-UHFFFAOYSA-N 0 3 372.513 2.373 20 30 FEEDHN C[C@@H](CCNS(=O)(=O)Cc1ccc(C#N)cc1F)N1CCCCC1 ZINC000480695845 561214717 /nfs/dbraw/zinc/21/47/17/561214717.db2.gz URNIPJOFQROINI-AWEZNQCLSA-N 0 3 353.463 2.381 20 30 FEEDHN N=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)Nc1ccccn1 ZINC000176968849 546516104 /nfs/dbraw/zinc/51/61/04/546516104.db2.gz LNHNZUIBGRYRPO-UHFFFAOYSA-N 0 3 351.454 2.290 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000177610963 546653915 /nfs/dbraw/zinc/65/39/15/546653915.db2.gz GHCNYCLKQHDDCH-RXVVDRJESA-N 0 3 374.481 2.348 20 30 FEEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000178516997 546806488 /nfs/dbraw/zinc/80/64/88/546806488.db2.gz JUZBHDCEXPNERI-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000481782581 561242051 /nfs/dbraw/zinc/24/20/51/561242051.db2.gz YGLYBVZETQDAIJ-JKSUJKDBSA-N 0 3 363.527 2.499 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccnc2OCC(F)F)CC1 ZINC000179340539 546934943 /nfs/dbraw/zinc/93/49/43/546934943.db2.gz XJDIPOLDOOPGGK-UHFFFAOYSA-N 0 3 354.401 2.175 20 30 FEEDHN N#CCCCOc1cccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000179892288 547024470 /nfs/dbraw/zinc/02/44/70/547024470.db2.gz VPJJTPXMLMGONX-LJQANCHMSA-N 0 3 371.481 2.440 20 30 FEEDHN Cn1cc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180274220 547076218 /nfs/dbraw/zinc/07/62/18/547076218.db2.gz RDNWESQODWJSGS-QGZVFWFLSA-N 0 3 351.454 2.448 20 30 FEEDHN COc1cnccc1N1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000483218135 561270967 /nfs/dbraw/zinc/27/09/67/561270967.db2.gz GJUXWJAFUJYLOL-UHFFFAOYSA-N 0 3 365.437 2.113 20 30 FEEDHN CNC(=O)C[C@H](NCCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000483420421 561276732 /nfs/dbraw/zinc/27/67/32/561276732.db2.gz MTMSMABBCANUTM-KRWDZBQOSA-N 0 3 353.422 2.413 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000182011415 547421344 /nfs/dbraw/zinc/42/13/44/547421344.db2.gz SDGQXUKESFJOOO-MOPGFXCFSA-N 0 3 368.481 2.468 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N[C@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000182011436 547421641 /nfs/dbraw/zinc/42/16/41/547421641.db2.gz SDGQXUKESFJOOO-RBUKOAKNSA-N 0 3 368.481 2.468 20 30 FEEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000483895718 561286109 /nfs/dbraw/zinc/28/61/09/561286109.db2.gz NAPZAEHHGSWXRX-LLVKDONJSA-N 0 3 354.223 2.392 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CCC3)C2)CC1 ZINC000182851449 547561847 /nfs/dbraw/zinc/56/18/47/547561847.db2.gz VVPCZNVMFASSLR-MRXNPFEDSA-N 0 3 358.511 2.333 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000184162782 547778322 /nfs/dbraw/zinc/77/83/22/547778322.db2.gz BYHNNNVOMVBUER-HXUWFJFHSA-N 0 3 371.456 2.080 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184238723 547792788 /nfs/dbraw/zinc/79/27/88/547792788.db2.gz ADLXLKDIRZTKHM-UHFFFAOYSA-N 0 3 364.449 2.328 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000187711439 548261352 /nfs/dbraw/zinc/26/13/52/548261352.db2.gz RDYUVKUZIBXKRZ-AWEZNQCLSA-N 0 3 374.510 2.429 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000187699172 548261601 /nfs/dbraw/zinc/26/16/01/548261601.db2.gz VERIWURYTRQFBL-UHFFFAOYSA-N 0 3 360.483 2.183 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(F)c(OC)cc2C)CC1 ZINC000187960978 548268224 /nfs/dbraw/zinc/26/82/24/548268224.db2.gz PESWKMKVSWXQES-UHFFFAOYSA-N 0 3 363.433 2.238 20 30 FEEDHN C=CC[C@@H](C(=O)N1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000189499909 548303721 /nfs/dbraw/zinc/30/37/21/548303721.db2.gz LLXLEWUCQKZLAG-LJQANCHMSA-N 0 3 357.498 2.263 20 30 FEEDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000190074201 548316118 /nfs/dbraw/zinc/31/61/18/548316118.db2.gz AWTGBWBJXOOBJC-WMLDXEAASA-N 0 3 354.454 2.121 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2sc(CCC)nc2C)CC1 ZINC000486408902 561346496 /nfs/dbraw/zinc/34/64/96/561346496.db2.gz OWRCYTXMHXZKHQ-UHFFFAOYSA-N 0 3 364.515 2.499 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CN1C1CC1 ZINC000246153308 549063543 /nfs/dbraw/zinc/06/35/43/549063543.db2.gz DFBIPXYTBVWTFG-KPFFTGBYSA-N 0 3 367.497 2.031 20 30 FEEDHN COc1cccc(C[C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000488480716 561390503 /nfs/dbraw/zinc/39/05/03/561390503.db2.gz FIMMNBYHUYEEKU-HNAYVOBHSA-N 0 3 364.449 2.284 20 30 FEEDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000246703933 549192062 /nfs/dbraw/zinc/19/20/62/549192062.db2.gz KGLXURQAETYACP-DMUMMCEESA-N 0 3 354.498 2.484 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@H]21 ZINC000247136503 549288740 /nfs/dbraw/zinc/28/87/40/549288740.db2.gz RYXCEFQYGVUDKL-MLGOLLRUSA-N 0 3 353.875 2.316 20 30 FEEDHN Cc1ncc(S(=O)(=O)NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)cc1C#N ZINC000489115014 561403801 /nfs/dbraw/zinc/40/38/01/561403801.db2.gz FIYWMRYJPAUUBS-ZIAGYGMSSA-N 0 3 364.515 2.297 20 30 FEEDHN C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000248608196 549466814 /nfs/dbraw/zinc/46/68/14/549466814.db2.gz WCOOWGIDNZIOEX-SJORKVTESA-N 0 3 369.465 2.111 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000489551469 561414025 /nfs/dbraw/zinc/41/40/25/561414025.db2.gz LUUYAMFKHXADBP-UHFFFAOYSA-N 0 3 356.470 2.199 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000264385771 549995153 /nfs/dbraw/zinc/99/51/53/549995153.db2.gz MOAXISIZYSBYEX-UHFFFAOYSA-N 0 3 374.485 2.364 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)CC1 ZINC000266415420 550020453 /nfs/dbraw/zinc/02/04/53/550020453.db2.gz HIKBAJGDXQLNJK-UHFFFAOYSA-N 0 3 374.441 2.424 20 30 FEEDHN N#Cc1ccc(/C=C/C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000269587125 550208521 /nfs/dbraw/zinc/20/85/21/550208521.db2.gz XJGPQKDZWHFYKC-GLCJEOIMSA-N 0 3 361.445 2.107 20 30 FEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1OC ZINC000270551705 550282908 /nfs/dbraw/zinc/28/29/08/550282908.db2.gz ZNNUYMAGEYOJFA-RHSMWYFYSA-N 0 3 350.484 2.378 20 30 FEEDHN N#CC1(F)CCN(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000493950564 561459855 /nfs/dbraw/zinc/45/98/55/561459855.db2.gz PUCDJNIJIAFVKB-UHFFFAOYSA-N 0 3 374.460 2.181 20 30 FEEDHN N#CCCN(CCC#N)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000271033936 550333696 /nfs/dbraw/zinc/33/36/96/550333696.db2.gz MIMAOMVIRFMAOX-UHFFFAOYSA-N 0 3 354.454 2.160 20 30 FEEDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O ZINC000494411534 561469202 /nfs/dbraw/zinc/46/92/02/561469202.db2.gz BVMKSDAMIVYFQF-IRXDYDNUSA-N 0 3 362.518 2.108 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000272639329 550462273 /nfs/dbraw/zinc/46/22/73/550462273.db2.gz ZXLMSSMHYSSMAA-JKSUJKDBSA-N 0 3 370.453 2.003 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000274555432 550543588 /nfs/dbraw/zinc/54/35/88/550543588.db2.gz YIODCNYEFWHDSS-KRWDZBQOSA-N 0 3 368.485 2.139 20 30 FEEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)c1cccnc1C#N ZINC000277023011 550623172 /nfs/dbraw/zinc/62/31/72/550623172.db2.gz NFEXPNHQYWQEFG-UHFFFAOYSA-N 0 3 358.467 2.226 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000277582443 550687435 /nfs/dbraw/zinc/68/74/35/550687435.db2.gz OOVUDJBSNZKXLD-IRLDBZIGSA-N 0 3 372.484 2.361 20 30 FEEDHN C[C@@H]1CN(CCCNC(=O)NC2(c3cccc(C#N)c3)CC2)CCCO1 ZINC000277865386 550723068 /nfs/dbraw/zinc/72/30/68/550723068.db2.gz ZOBPJUGHSXOJPM-MRXNPFEDSA-N 0 3 356.470 2.347 20 30 FEEDHN C=CCn1c(=O)[nH]nc1SC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000278686036 550811351 /nfs/dbraw/zinc/81/13/51/550811351.db2.gz ZANPWBRILQPUHJ-INIZCTEOSA-N 0 3 360.483 2.141 20 30 FEEDHN N#Cc1cc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)ccc1F ZINC000278801759 550823381 /nfs/dbraw/zinc/82/33/81/550823381.db2.gz PTTLBLYJIAMPHB-SFHVURJKSA-N 0 3 353.397 2.194 20 30 FEEDHN CC1(C)C[C@@H](NCCNC(=O)C2N=CC=CC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279036466 550849347 /nfs/dbraw/zinc/84/93/47/550849347.db2.gz IYDJQCXLIKHAEZ-BQASMSSTSA-N 0 3 370.409 2.433 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(CC(F)(F)F)CC2)cc1 ZINC000279537511 550900816 /nfs/dbraw/zinc/90/08/16/550900816.db2.gz MZQXLPNEXQANEK-HNNXBMFYSA-N 0 3 364.371 2.383 20 30 FEEDHN CN(Cc1ccc(OCC#N)cc1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279692460 550917419 /nfs/dbraw/zinc/91/74/19/550917419.db2.gz IBIMZZDLQCSALA-HKUYNNGSSA-N 0 3 371.460 2.367 20 30 FEEDHN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279877510 550938637 /nfs/dbraw/zinc/93/86/37/550938637.db2.gz CHODEQYBHCBMRB-ASWYFOPWSA-N 0 3 357.479 2.437 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](OCc3ccccn3)C2)cc1 ZINC000280492250 550999654 /nfs/dbraw/zinc/99/96/54/550999654.db2.gz VSLVUMOTGLTRTK-AZUAARDMSA-N 0 3 360.417 2.453 20 30 FEEDHN CCCCNC(=O)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280762487 551029578 /nfs/dbraw/zinc/02/95/78/551029578.db2.gz IVJOCWOEBFXSAR-IBGZPJMESA-N 0 3 366.465 2.395 20 30 FEEDHN CCCCNC(=O)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280762492 551029669 /nfs/dbraw/zinc/02/96/69/551029669.db2.gz IVJOCWOEBFXSAR-LJQANCHMSA-N 0 3 366.465 2.395 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281575612 551115126 /nfs/dbraw/zinc/11/51/26/551115126.db2.gz AWPNAQIMSSUFEY-UHFFFAOYSA-N 0 3 358.530 2.453 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CCC(=O)Nc2ccc(C#N)cc2)O1 ZINC000282365751 551218018 /nfs/dbraw/zinc/21/80/18/551218018.db2.gz DOKSQKNTHITYQR-NBMRYCAZSA-N 0 3 371.437 2.070 20 30 FEEDHN N#CC1CCC(CNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000282573077 551247652 /nfs/dbraw/zinc/24/76/52/551247652.db2.gz DESPQCCDUXTZKH-UHYCVJNDSA-N 0 3 370.497 2.382 20 30 FEEDHN C[C@@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(C#N)c(F)c1 ZINC000497720752 561507090 /nfs/dbraw/zinc/50/70/90/561507090.db2.gz WVXDHWNOPBAYRU-SMNXXWJPSA-N 0 3 355.417 2.444 20 30 FEEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000283624277 551398787 /nfs/dbraw/zinc/39/87/87/551398787.db2.gz OAMPNUZBYFPUOI-UHFFFAOYSA-N 0 3 370.501 2.398 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](CC)c2ccccc2)CC1 ZINC000284401035 551541859 /nfs/dbraw/zinc/54/18/59/551541859.db2.gz ZNWXOPAPOARIFM-QGZVFWFLSA-N 0 3 357.498 2.453 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000498886818 561536883 /nfs/dbraw/zinc/53/68/83/561536883.db2.gz CTVVNHRTFGAWOU-LLVKDONJSA-N 0 3 357.426 2.187 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285926054 551828102 /nfs/dbraw/zinc/82/81/02/551828102.db2.gz TXYFMJFHGBDDFA-XJKSGUPXSA-N 0 3 356.470 2.294 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(CCC)Cc2ccc(F)cc2)CC1 ZINC000286635170 551908830 /nfs/dbraw/zinc/90/88/30/551908830.db2.gz MPNNIPVJLKPBRL-UHFFFAOYSA-N 0 3 361.461 2.331 20 30 FEEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCCCCC#N ZINC000286723109 551918928 /nfs/dbraw/zinc/91/89/28/551918928.db2.gz LXNVYYGUNOEVAN-GOSISDBHSA-N 0 3 358.486 2.069 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000286758762 551922712 /nfs/dbraw/zinc/92/27/12/551922712.db2.gz TYEMIEXJJYNRKG-UHFFFAOYSA-N 0 3 373.472 2.031 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)cc2)CC1 ZINC000286855462 551933786 /nfs/dbraw/zinc/93/37/86/551933786.db2.gz ZESNKTXJJDJLRM-UHFFFAOYSA-N 0 3 363.889 2.455 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC3(CCC3)C2)cc1 ZINC000287044416 551955685 /nfs/dbraw/zinc/95/56/85/551955685.db2.gz GMRCJZIPJMONQB-CYBMUJFWSA-N 0 3 363.439 2.159 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CSC2(C)C)cc1 ZINC000287343125 551991814 /nfs/dbraw/zinc/99/18/14/551991814.db2.gz PLVILXKSKSSPJZ-MFKMUULPSA-N 0 3 353.469 2.388 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2cscn2)cc1 ZINC000287480938 552009952 /nfs/dbraw/zinc/00/99/52/552009952.db2.gz YZIZZHOKBUBYOV-LLVKDONJSA-N 0 3 364.452 2.493 20 30 FEEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000288985357 552248202 /nfs/dbraw/zinc/24/82/02/552248202.db2.gz LDKCAVNRZZGUDB-UHFFFAOYSA-N 0 3 372.469 2.230 20 30 FEEDHN CN(C)C(=O)CCN1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000500255677 561568945 /nfs/dbraw/zinc/56/89/45/561568945.db2.gz XHZMLIUUNZVDIH-UHFFFAOYSA-N 0 3 355.486 2.187 20 30 FEEDHN C[C@@](C#N)(NC(=O)CN[C@H]1c2ccccc2CC12CCOCC2)C1CC1 ZINC000290051055 552420220 /nfs/dbraw/zinc/42/02/20/552420220.db2.gz DLEIFKUGQIVJLX-PMACEKPBSA-N 0 3 353.466 2.479 20 30 FEEDHN COCCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000291105144 552587247 /nfs/dbraw/zinc/58/72/47/552587247.db2.gz GDKKIQMQKMKWGR-INIZCTEOSA-N 0 3 359.470 2.285 20 30 FEEDHN C#CCNC(=O)CCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000292661456 552747517 /nfs/dbraw/zinc/74/75/17/552747517.db2.gz ALFRSFPMHCKXHD-UHFFFAOYSA-N 0 3 362.861 2.019 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1F ZINC000293400494 552819651 /nfs/dbraw/zinc/81/96/51/552819651.db2.gz MNRXWIYKHBRGAI-AWEZNQCLSA-N 0 3 351.447 2.194 20 30 FEEDHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CCN(C2CCC2)C1 ZINC000293436316 552823465 /nfs/dbraw/zinc/82/34/65/552823465.db2.gz OFBTWUOGZXRASS-ZDUSSCGKSA-N 0 3 374.872 2.483 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000293476471 552827725 /nfs/dbraw/zinc/82/77/25/552827725.db2.gz VHQBONATUOXQEP-FQEVSTJZSA-N 0 3 357.454 2.134 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294174930 552887965 /nfs/dbraw/zinc/88/79/65/552887965.db2.gz JQFUUVHJOMDLTR-ZIAGYGMSSA-N 0 3 353.463 2.237 20 30 FEEDHN C=CCc1cc(C(=O)Nc2ccnn2CCN(C)C)cc(OC)c1OC ZINC000294181856 552888403 /nfs/dbraw/zinc/88/84/03/552888403.db2.gz TXJDZPFZCGQFIA-UHFFFAOYSA-N 0 3 358.442 2.443 20 30 FEEDHN C#CCCOc1ccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1 ZINC000294468393 552908481 /nfs/dbraw/zinc/90/84/81/552908481.db2.gz CPBGTMMFDNPJRC-UHFFFAOYSA-N 0 3 369.509 2.188 20 30 FEEDHN C[C@@H]1CN(CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCCO1 ZINC000295304353 552984492 /nfs/dbraw/zinc/98/44/92/552984492.db2.gz KDUQFBBSRRHNIS-GFCCVEGCSA-N 0 3 370.375 2.203 20 30 FEEDHN CCN1CC[C@H]2OCCN(c3ncc(Br)cc3C#N)[C@H]2C1 ZINC000295725525 553050682 /nfs/dbraw/zinc/05/06/82/553050682.db2.gz VAEQYILXPAPVDV-UONOGXRCSA-N 0 3 351.248 2.015 20 30 FEEDHN CC1CCN(CCCNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000295957487 553081218 /nfs/dbraw/zinc/08/12/18/553081218.db2.gz MLNXPYBURXVFAY-UHFFFAOYSA-N 0 3 353.463 2.239 20 30 FEEDHN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)C)CC1 ZINC000296049510 553095994 /nfs/dbraw/zinc/09/59/94/553095994.db2.gz RERNDEDBWBRSKM-UHFFFAOYSA-N 0 3 360.506 2.011 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nnc(C)n1C ZINC000502520528 561620328 /nfs/dbraw/zinc/62/03/28/561620328.db2.gz QRSHBGKEZJJBRY-UHFFFAOYSA-N 0 3 361.519 2.222 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cncc(Cl)c2C)CC1 ZINC000296468096 553165045 /nfs/dbraw/zinc/16/50/45/553165045.db2.gz HGRPOWFWXPDJON-UHFFFAOYSA-N 0 3 350.850 2.139 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000296496737 553169754 /nfs/dbraw/zinc/16/97/54/553169754.db2.gz BEUQDGKHAZLSRM-UHFFFAOYSA-N 0 3 369.412 2.393 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1 ZINC000296502578 553170907 /nfs/dbraw/zinc/17/09/07/553170907.db2.gz YSZQWIPSBKSMOR-MRXNPFEDSA-N 0 3 358.486 2.426 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)o2)[C@@H]1c1cnn(C)c1 ZINC000502731053 561624191 /nfs/dbraw/zinc/62/41/91/561624191.db2.gz QKKQLVMHTUQMDW-KBXCAEBGSA-N 0 3 355.442 2.430 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccccc2OCCF)CC1 ZINC000296601183 553185677 /nfs/dbraw/zinc/18/56/77/553185677.db2.gz RKHNWWVSHZNJTR-UHFFFAOYSA-N 0 3 363.433 2.130 20 30 FEEDHN Cc1cc(NCCNC[C@H](O)COc2ccc(C#N)cc2)nc(C(C)C)n1 ZINC000600764055 553312718 /nfs/dbraw/zinc/31/27/18/553312718.db2.gz WJKWYEARDZDISC-KRWDZBQOSA-N 0 3 369.469 2.222 20 30 FEEDHN C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000297635671 553318386 /nfs/dbraw/zinc/31/83/86/553318386.db2.gz IHKBMDKOXXELNY-AOIWGVFYSA-N 0 3 370.497 2.116 20 30 FEEDHN CCN(CCC#N)C(=O)CN1CCN(c2ccnc3ccccc32)CC1 ZINC000297634915 553318440 /nfs/dbraw/zinc/31/84/40/553318440.db2.gz MHSVKCLUQVOMDY-UHFFFAOYSA-N 0 3 351.454 2.119 20 30 FEEDHN N#Cc1ccsc1N1CC[C@H](N[C@@H](CC(N)=O)C2CCCCC2)C1=O ZINC000298720389 553463712 /nfs/dbraw/zinc/46/37/12/553463712.db2.gz BCUDJHHGEKGONW-GJZGRUSLSA-N 0 3 360.483 2.139 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000303445308 553745522 /nfs/dbraw/zinc/74/55/22/553745522.db2.gz GVPYTVMNMIVYIJ-INIZCTEOSA-N 0 3 373.476 2.403 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CN1C1CC1 ZINC000328604733 553795397 /nfs/dbraw/zinc/79/53/97/553795397.db2.gz IVWBSACMMMROFU-RVKKMQEKSA-N 0 3 362.518 2.439 20 30 FEEDHN CN(C)C1(CNC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CCC1 ZINC000328623818 553798027 /nfs/dbraw/zinc/79/80/27/553798027.db2.gz ZBUGVNVVSWDDOL-INIZCTEOSA-N 0 3 350.507 2.298 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000328961178 553853904 /nfs/dbraw/zinc/85/39/04/553853904.db2.gz PYHNBIMUYZLFSV-GOSISDBHSA-N 0 3 364.534 2.294 20 30 FEEDHN Cc1noc([C@H](NC(=O)N[C@@H](C)CN2CCCCC2)C2CCOCC2)n1 ZINC000329022031 553866524 /nfs/dbraw/zinc/86/65/24/553866524.db2.gz IEQWWWLYDBJDAO-XJKSGUPXSA-N 0 3 365.478 2.224 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329046787 553871480 /nfs/dbraw/zinc/87/14/80/553871480.db2.gz VETVPUIARRSWSA-DJIMGWMZSA-N 0 3 350.484 2.288 20 30 FEEDHN CCn1cnnc1C1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000329162303 553892804 /nfs/dbraw/zinc/89/28/04/553892804.db2.gz ZNRFUTBPNZBAOJ-UHFFFAOYSA-N 0 3 360.506 2.061 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000329171200 553894500 /nfs/dbraw/zinc/89/45/00/553894500.db2.gz JYFSUKAVWYZJAO-BZSNNMDCSA-N 0 3 365.518 2.435 20 30 FEEDHN CCN1CCCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1 ZINC000329182472 553897247 /nfs/dbraw/zinc/89/72/47/553897247.db2.gz PCBKTPDACCEJDU-UHFFFAOYSA-N 0 3 373.436 2.252 20 30 FEEDHN C[C@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCC1)CN1CCN(C)CC1 ZINC000329297564 553920359 /nfs/dbraw/zinc/92/03/59/553920359.db2.gz PCQSQQFXIPZNBX-SJLPKXTDSA-N 0 3 364.534 2.008 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000506558908 561701986 /nfs/dbraw/zinc/70/19/86/561701986.db2.gz BCKGLFKQZZRGIZ-QZTJIDSGSA-N 0 3 359.466 2.430 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000329423209 553943556 /nfs/dbraw/zinc/94/35/56/553943556.db2.gz HSEWDRTZBIOOLE-CRAIPNDOSA-N 0 3 356.470 2.494 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)NCCN1CC=C(C)CC1 ZINC000506660961 561705142 /nfs/dbraw/zinc/70/51/42/561705142.db2.gz MGBRLYRIIBNHEZ-UHFFFAOYSA-N 0 3 357.454 2.494 20 30 FEEDHN C[C@H](NC(=O)CN1CCC[C@@H]1C1CCOCC1)C(=O)N1CCCCC1 ZINC000329449144 553949356 /nfs/dbraw/zinc/94/93/56/553949356.db2.gz MMSRTAGRTBRYBA-DOTOQJQBSA-N 0 3 351.491 2.235 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)N[C@H]3CCCOC3)CC2)C[C@H](C)O1 ZINC000329691845 553990182 /nfs/dbraw/zinc/99/01/82/553990182.db2.gz CAHCCCMQDPSTNZ-JZXOWHBKSA-N 0 3 353.507 2.291 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](C)CN3CCCCC3)C2)nn1 ZINC000329697769 553991383 /nfs/dbraw/zinc/99/13/83/553991383.db2.gz YOEZWMKLCCWDPX-IRXDYDNUSA-N 0 3 360.506 2.132 20 30 FEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329741603 553998349 /nfs/dbraw/zinc/99/83/49/553998349.db2.gz WAIVXOMZBJPEPF-HZPDHXFCSA-N 0 3 351.454 2.318 20 30 FEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329741603 553998351 /nfs/dbraw/zinc/99/83/51/553998351.db2.gz WAIVXOMZBJPEPF-HZPDHXFCSA-N 0 3 351.454 2.318 20 30 FEEDHN CCc1nc(CN2CCN(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)CC2)cs1 ZINC000329797988 554008078 /nfs/dbraw/zinc/00/80/78/554008078.db2.gz GDKZFBOTZYHAJT-HUUCEWRRSA-N 0 3 365.547 2.220 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)CCN1C ZINC000329800658 554008650 /nfs/dbraw/zinc/00/86/50/554008650.db2.gz IUAWODNSWYYWEQ-WBVHZDCISA-N 0 3 350.507 2.108 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCOC[C@H]2C[C@H](C)O)C1 ZINC000329835370 554014840 /nfs/dbraw/zinc/01/48/40/554014840.db2.gz HJEWQOZJKWZJAD-QFHJOOASSA-N 0 3 361.486 2.208 20 30 FEEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CN1CCOCC1=O ZINC000329836122 554015835 /nfs/dbraw/zinc/01/58/35/554015835.db2.gz HRSBBYWSQGGYKB-SFHVURJKSA-N 0 3 373.497 2.275 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CSc1nnnn1C1CCCC1 ZINC000329846343 554017913 /nfs/dbraw/zinc/01/79/13/554017913.db2.gz QRBWFCBXTMHCMJ-BXUZGUMPSA-N 0 3 350.492 2.320 20 30 FEEDHN O=C(NC1CCCCC1)N1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000329863860 554021032 /nfs/dbraw/zinc/02/10/32/554021032.db2.gz ZKZPELFFKDZGSX-SFHVURJKSA-N 0 3 362.518 2.252 20 30 FEEDHN O=C(NCCc1cn2c(n1)SCC2)[C@H]1CCCN1C1CCOCC1 ZINC000329865005 554021277 /nfs/dbraw/zinc/02/12/77/554021277.db2.gz TVSJKLAOHMNOGY-OAHLLOKOSA-N 0 3 350.488 2.131 20 30 FEEDHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000329871157 554022557 /nfs/dbraw/zinc/02/25/57/554022557.db2.gz AMBFWJCDHDTCJJ-KZNAEPCWSA-N 0 3 359.518 2.421 20 30 FEEDHN Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@@]2(N(C)C)CCSC2)cnn1C ZINC000329897995 554026875 /nfs/dbraw/zinc/02/68/75/554026875.db2.gz LUCSNBHEFNHVDS-QRTARXTBSA-N 0 3 352.504 2.200 20 30 FEEDHN CC(C)n1ncc2c1C[C@H](NC([O-])=[NH+]C[C@H]1CCc3nccn3C1)CC2 ZINC000329922778 554032110 /nfs/dbraw/zinc/03/21/10/554032110.db2.gz UDHPMFJPUUICAB-GDBMZVCRSA-N 0 3 356.474 2.284 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)CN2CCCCCCC2=O)CC1 ZINC000329946174 554036942 /nfs/dbraw/zinc/03/69/42/554036942.db2.gz GEVOSMFDOODTLG-UHFFFAOYSA-N 0 3 352.523 2.152 20 30 FEEDHN C[C@@H](C(=O)NC1CCN(C(C)(C)C)CC1)S(=O)(=O)C1CCOCC1 ZINC000330034941 554052440 /nfs/dbraw/zinc/05/24/40/554052440.db2.gz BLDKRWOJZVRMAP-ZDUSSCGKSA-N 0 3 360.520 2.188 20 30 FEEDHN CN(C)[C@]1(CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CCSC1 ZINC000330042390 554053554 /nfs/dbraw/zinc/05/35/54/554053554.db2.gz GROYKPYQEJYZPM-YJBOKZPZSA-N 0 3 368.547 2.308 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC000330053836 554056083 /nfs/dbraw/zinc/05/60/83/554056083.db2.gz RAJODFRNWWFLQG-HYVNUMGLSA-N 0 3 355.442 2.380 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000330078587 554060782 /nfs/dbraw/zinc/06/07/82/554060782.db2.gz FPKGPSDJTHMLLM-NXHRZFHOSA-N 0 3 369.469 2.455 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(SCCOC)cc1 ZINC000507550287 561732647 /nfs/dbraw/zinc/73/26/47/561732647.db2.gz LRZKUMBSSBFACJ-ZIAGYGMSSA-N 0 3 365.499 2.476 20 30 FEEDHN C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@]2(CCCOC2)O1 ZINC000330099738 554064600 /nfs/dbraw/zinc/06/46/00/554064600.db2.gz DJKPLDXZGMRTTM-YFVAEKQCSA-N 0 3 373.497 2.445 20 30 FEEDHN O=C(N[C@@H]1CCn2ccnc2C1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000330202102 554084178 /nfs/dbraw/zinc/08/41/78/554084178.db2.gz YWOSNDFVZKXTTK-CQSZACIVSA-N 0 3 361.396 2.212 20 30 FEEDHN CO[C@]1(C)C[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1(C)C ZINC000330205592 554085243 /nfs/dbraw/zinc/08/52/43/554085243.db2.gz CPBNUDCTXQAOOE-SIXWZSSISA-N 0 3 353.507 2.289 20 30 FEEDHN CN1CCC(n2ccc(NC(=O)N[C@@H]3CCc4ccccc4C3)n2)CC1 ZINC000330210603 554085925 /nfs/dbraw/zinc/08/59/25/554085925.db2.gz ILKSXBUOGBIGJO-QGZVFWFLSA-N 0 3 353.470 3.033 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000330239577 554090999 /nfs/dbraw/zinc/09/09/99/554090999.db2.gz DVSHCYKCIREULM-MAUKXSAKSA-N 0 3 359.470 2.089 20 30 FEEDHN Cc1c([C@H]2OCC[C@@H]2NC(=O)NC[C@H](C)N2CCC(C)CC2)cnn1C ZINC000330341802 554108367 /nfs/dbraw/zinc/10/83/67/554108367.db2.gz ZSWRGHSNGHRRQG-JCGIZDLHSA-N 0 3 363.506 2.183 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000330580922 554141046 /nfs/dbraw/zinc/14/10/46/554141046.db2.gz UJPJWCWZMJMQGC-CABCVRRESA-N 0 3 367.515 2.362 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@@H]1N(C)C ZINC000330721260 554163371 /nfs/dbraw/zinc/16/33/71/554163371.db2.gz XJOABFXLFPKNOD-HOTGVXAUSA-N 0 3 350.488 2.476 20 30 FEEDHN CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000330899989 554185183 /nfs/dbraw/zinc/18/51/83/554185183.db2.gz JNHYNUBGPXUUKC-UONOGXRCSA-N 0 3 353.488 2.081 20 30 FEEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000331099125 554212804 /nfs/dbraw/zinc/21/28/04/554212804.db2.gz CAENOMULJWEFIO-DNVCBOLYSA-N 0 3 364.511 2.499 20 30 FEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CCN1CC(C)(C)O ZINC000331284340 554241253 /nfs/dbraw/zinc/24/12/53/554241253.db2.gz FSMGBIRECZAPKW-CYBMUJFWSA-N 0 3 353.413 2.437 20 30 FEEDHN C=CCn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000508922558 561778366 /nfs/dbraw/zinc/77/83/66/561778366.db2.gz QVXDNPUZHVLPKP-QGZVFWFLSA-N 0 3 370.501 2.463 20 30 FEEDHN C[C@@H]1COCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000510616498 561840910 /nfs/dbraw/zinc/84/09/10/561840910.db2.gz OPCPXEAWRZQOFY-VQIMIIECSA-N 0 3 358.486 2.304 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000333439756 554613475 /nfs/dbraw/zinc/61/34/75/554613475.db2.gz LQNVPULMEOJPGD-INIZCTEOSA-N 0 3 353.532 2.381 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000348586302 554689870 /nfs/dbraw/zinc/68/98/70/554689870.db2.gz KYVVZHSUYTTYNT-BQFCYCMXSA-N 0 3 371.481 2.266 20 30 FEEDHN N#C[C@@H]1CCC[C@@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511033407 561854406 /nfs/dbraw/zinc/85/44/06/561854406.db2.gz UNUOIQGHQGXPAR-DGCLKSJQSA-N 0 3 359.854 2.429 20 30 FEEDHN CSC1c2cc(-c3noc(-c4cnn(C)c4C#N)n3)ccc2NC1=O ZINC000350120362 554761460 /nfs/dbraw/zinc/76/14/60/554761460.db2.gz XLHPIBXNLVEFNA-CYBMUJFWSA-N 0 3 352.379 2.365 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000363394168 555094087 /nfs/dbraw/zinc/09/40/87/555094087.db2.gz ZVHBHQUIVPMKLJ-UHFFFAOYSA-N 0 3 354.458 2.107 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)CC3(N(C)C)CCC3)C2)n1 ZINC000364119551 555253300 /nfs/dbraw/zinc/25/33/00/555253300.db2.gz JTKKADSBEWAZKX-SFHVURJKSA-N 0 3 369.513 2.421 20 30 FEEDHN CN1CCC2(CCCN2C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000364769805 555397930 /nfs/dbraw/zinc/39/79/30/555397930.db2.gz LHIFWGJBOMLTMF-UHFFFAOYSA-N 0 3 360.845 2.237 20 30 FEEDHN C[C@H](CO)N1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000364898249 555429792 /nfs/dbraw/zinc/42/97/92/555429792.db2.gz VIAGRLXLXXTOCG-OAHLLOKOSA-N 0 3 356.388 2.325 20 30 FEEDHN C[C@@H](CO)N1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000364935495 555442720 /nfs/dbraw/zinc/44/27/20/555442720.db2.gz MSUIXOBIHJJUDF-KRWDZBQOSA-N 0 3 359.470 2.022 20 30 FEEDHN C[C@@H](CO)N1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000365004032 555462739 /nfs/dbraw/zinc/46/27/39/555462739.db2.gz WFIFHCAVKYLOLT-LBPRGKRZSA-N 0 3 368.384 2.080 20 30 FEEDHN N#Cc1ccc(Br)c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000365201869 555509818 /nfs/dbraw/zinc/50/98/18/555509818.db2.gz KGUICNGCNKOCGO-SJORKVTESA-N 0 3 364.287 2.352 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000365336494 555546580 /nfs/dbraw/zinc/54/65/80/555546580.db2.gz MXYVGVVWHDININ-MNEFBYGVSA-N 0 3 356.470 2.247 20 30 FEEDHN CC(C)(CCC#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000513112933 561925602 /nfs/dbraw/zinc/92/56/02/561925602.db2.gz HMNCFNBFBVRWLY-OALUTQOASA-N 0 3 372.513 2.499 20 30 FEEDHN CC(C)(CCC#N)CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000513114242 561925947 /nfs/dbraw/zinc/92/59/47/561925947.db2.gz YZWNULQRQNEQBE-FQEVSTJZSA-N 0 3 358.486 2.253 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000365959307 555711373 /nfs/dbraw/zinc/71/13/73/555711373.db2.gz IQTDRAAYHNYREN-IFIJOSMWSA-N 0 3 363.408 2.456 20 30 FEEDHN C=CCc1ccc(OCC(=O)NC2CCN([C@H]3CCOC3)CC2)c(OC)c1 ZINC000366191929 555777038 /nfs/dbraw/zinc/77/70/38/555777038.db2.gz MLRKSAWURORGOO-SFHVURJKSA-N 0 3 374.481 2.172 20 30 FEEDHN N#CCC1(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000366607625 555888771 /nfs/dbraw/zinc/88/87/71/555888771.db2.gz KIHSSFCJORLDQI-SFHVURJKSA-N 0 3 356.470 2.271 20 30 FEEDHN COc1cc(CN[C@H]2CCCN(c3ccccc3C(N)=O)C2)ccc1C#N ZINC000366926862 555972245 /nfs/dbraw/zinc/97/22/45/555972245.db2.gz KLCDGFPHHVOHGD-KRWDZBQOSA-N 0 3 364.449 2.424 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](c2ccccc2)[C@H]2CCOC2)nc1 ZINC000367307794 556014227 /nfs/dbraw/zinc/01/42/27/556014227.db2.gz LHBDKYWCWDEMRW-PKOBYXMFSA-N 0 3 371.462 2.094 20 30 FEEDHN CN(C)[C@H]1CCN(C(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)C1 ZINC000367761781 556132730 /nfs/dbraw/zinc/13/27/30/556132730.db2.gz USEBSTTYJICLSV-HNNXBMFYSA-N 0 3 362.424 2.215 20 30 FEEDHN N#CCCN(C(=O)CN1CCCC[C@@H]1C(=N)NO)c1cccc(Cl)c1 ZINC000368523276 556334772 /nfs/dbraw/zinc/33/47/72/556334772.db2.gz DQRXYOVOWSUQQC-OAHLLOKOSA-N 0 3 363.849 2.397 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000532108384 562467193 /nfs/dbraw/zinc/46/71/93/562467193.db2.gz OVWRRRGQJCDLPV-MJBXVCDLSA-N 0 3 353.463 2.342 20 30 FEEDHN C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000368712196 556394653 /nfs/dbraw/zinc/39/46/53/556394653.db2.gz LAYWTGCQDYERGP-YLJYHZDGSA-N 0 3 366.509 2.074 20 30 FEEDHN Cc1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)nn1-c1cccc(C#N)c1 ZINC000368800885 556416358 /nfs/dbraw/zinc/41/63/58/556416358.db2.gz SWNHKEFTTJSULB-WMZOPIPTSA-N 0 3 364.453 2.610 20 30 FEEDHN COC(=O)c1cccc(CN[C@H](C2CCOCC2)C2(CO)CCC2)c1C#N ZINC000515639566 562018121 /nfs/dbraw/zinc/01/81/21/562018121.db2.gz DOLUAPQJLFCMBQ-LJQANCHMSA-N 0 3 372.465 2.392 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN1CCCN([C@H](C)CO)CC1 ZINC000368962673 556460925 /nfs/dbraw/zinc/46/09/25/556460925.db2.gz CFUAYGRXWCHTOL-MRXNPFEDSA-N 0 3 363.527 2.292 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1Cl ZINC000368975633 556464708 /nfs/dbraw/zinc/46/47/08/556464708.db2.gz RSUSGORMQDKHGK-DXCKQFNASA-N 0 3 360.845 2.126 20 30 FEEDHN Cc1nc(CO[C@H]2CCN(C[C@H](O)COc3ccc(C#N)cc3)C2)cs1 ZINC000368998694 556472367 /nfs/dbraw/zinc/47/23/67/556472367.db2.gz BJSFVBGORLQORR-HKUYNNGSSA-N 0 3 373.478 2.354 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)CC1 ZINC000369720419 556677285 /nfs/dbraw/zinc/67/72/85/556677285.db2.gz HYPLZEKNTSTZOC-UHFFFAOYSA-N 0 3 351.447 2.194 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1 ZINC000369757999 556686533 /nfs/dbraw/zinc/68/65/33/556686533.db2.gz RPIHTGAFECFWSN-FQEVSTJZSA-N 0 3 367.493 2.260 20 30 FEEDHN COc1cc(CNC(=O)[C@H](N)CCCC#N)ccc1OCc1cccnc1 ZINC000516460595 562043602 /nfs/dbraw/zinc/04/36/02/562043602.db2.gz RSUJDKBEZGERAH-QGZVFWFLSA-N 0 3 368.437 2.307 20 30 FEEDHN CN(CC(=O)NCc1cccc(C#N)c1)C1CCN(c2ccccn2)CC1 ZINC000369899265 556724632 /nfs/dbraw/zinc/72/46/32/556724632.db2.gz FSMAFXUKFYSPSG-UHFFFAOYSA-N 0 3 363.465 2.170 20 30 FEEDHN CN(CCCN1CCN(C)CC1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000369904798 556726560 /nfs/dbraw/zinc/72/65/60/556726560.db2.gz QZALAFVRGRZVEO-UHFFFAOYSA-N 0 3 353.470 2.283 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000370015851 556758325 /nfs/dbraw/zinc/75/83/25/556758325.db2.gz FZFYTVXJGGYNTI-FQEVSTJZSA-N 0 3 357.473 2.394 20 30 FEEDHN CN(C)C[C@H]1CN(C(=O)COc2ccccc2C#N)c2ccccc2O1 ZINC000370503316 556892585 /nfs/dbraw/zinc/89/25/85/556892585.db2.gz RGMFTRHWBSPOLX-INIZCTEOSA-N 0 3 351.406 2.293 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000370884791 557002014 /nfs/dbraw/zinc/00/20/14/557002014.db2.gz CQRROQOZFNEEKF-DOTOQJQBSA-N 0 3 373.501 2.090 20 30 FEEDHN C=CCN(CC=C)[C@H](CNc1ccc(S(=O)(=O)NC)cn1)C(C)C ZINC000517162516 562077941 /nfs/dbraw/zinc/07/79/41/562077941.db2.gz AURYJSZDHKQHLZ-MRXNPFEDSA-N 0 3 352.504 2.100 20 30 FEEDHN COc1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OCCCC#N ZINC000371325386 557147532 /nfs/dbraw/zinc/14/75/32/557147532.db2.gz DMDGGNMUBBRIEI-RTBURBONSA-N 0 3 373.497 2.409 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)CC1 ZINC000371393949 557172577 /nfs/dbraw/zinc/17/25/77/557172577.db2.gz VFSCUHRKDOHXPZ-GOSISDBHSA-N 0 3 374.529 2.071 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)C(C)C ZINC000371431142 557185542 /nfs/dbraw/zinc/18/55/42/557185542.db2.gz MWDPYIHEMPPIGH-QWFCFKBJSA-N 0 3 365.518 2.322 20 30 FEEDHN CN1CC=C(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000371509419 557204876 /nfs/dbraw/zinc/20/48/76/557204876.db2.gz OZLXJUDSAJRHFX-KRWDZBQOSA-N 0 3 371.460 2.227 20 30 FEEDHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000371706743 557270169 /nfs/dbraw/zinc/27/01/69/557270169.db2.gz KQQDPXWWJFFRCA-HNNXBMFYSA-N 0 3 370.432 2.831 20 30 FEEDHN C[C@@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)N1CCCCCC1 ZINC000372120308 557384774 /nfs/dbraw/zinc/38/47/74/557384774.db2.gz MSVABRYNZYRVSO-INIZCTEOSA-N 0 3 355.486 2.621 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CN1C1CC1 ZINC000372348832 557447334 /nfs/dbraw/zinc/44/73/34/557447334.db2.gz YHTNVFWTEFOCEM-DKSSEZFCSA-N 0 3 354.454 2.266 20 30 FEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000519170072 562126534 /nfs/dbraw/zinc/12/65/34/562126534.db2.gz IWRWCJAVNQCSRG-HNNXBMFYSA-N 0 3 360.477 2.117 20 30 FEEDHN C#CCOc1ccccc1CN1CCC(CC(=O)N2CCOCC2)CC1 ZINC000372413300 557464612 /nfs/dbraw/zinc/46/46/12/557464612.db2.gz JLHJVPXALNAYMP-UHFFFAOYSA-N 0 3 356.466 2.160 20 30 FEEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372901535 557585115 /nfs/dbraw/zinc/58/51/15/557585115.db2.gz GCVMCSDAZAALRY-BFUOFWGJSA-N 0 3 374.872 2.483 20 30 FEEDHN N#CCCN(C(=O)CN[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1 ZINC000373119554 557632879 /nfs/dbraw/zinc/63/28/79/557632879.db2.gz ZKBJKHWWPPRGRV-PMACEKPBSA-N 0 3 370.497 2.166 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccnc2-n2ccnc2)cc1 ZINC000373442098 557694576 /nfs/dbraw/zinc/69/45/76/557694576.db2.gz JHRKEDWCAWABGW-SFHVURJKSA-N 0 3 356.389 2.138 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)O[C@]3(CCCOC3)C2)CC1 ZINC000373492471 557704027 /nfs/dbraw/zinc/70/40/27/557704027.db2.gz DQMLDUDEPKHXBX-UYAOXDASSA-N 0 3 365.518 2.397 20 30 FEEDHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC2CC(C#N)(c3ccccc3)C2)C1 ZINC000374587574 557902716 /nfs/dbraw/zinc/90/27/16/557902716.db2.gz UCNWHQVJVAXQEQ-JJXOGSGTSA-N 0 3 371.481 2.428 20 30 FEEDHN C=CCN(C(=O)c1c(C)nn(C)c1N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000375036256 557967953 /nfs/dbraw/zinc/96/79/53/557967953.db2.gz HZOUVQCSDPRXHG-QGZVFWFLSA-N 0 3 353.470 2.213 20 30 FEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc(CC#N)cc1 ZINC000375263222 558000915 /nfs/dbraw/zinc/00/09/15/558000915.db2.gz IECQNEQBNVDJKO-QFIPXVFZSA-N 0 3 363.461 2.462 20 30 FEEDHN C(#CCN1CCC[C@H](n2cccn2)C1)CN1CCC[C@H](n2cccn2)C1 ZINC000375386545 558019185 /nfs/dbraw/zinc/01/91/85/558019185.db2.gz IQQNJXLYWCWPFO-PMACEKPBSA-N 0 3 352.486 2.057 20 30 FEEDHN C(#CCN1CCC[C@@H](c2cc[nH]n2)C1)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000375473795 558033692 /nfs/dbraw/zinc/03/36/92/558033692.db2.gz OMWDKPVUBJINMF-QZTJIDSGSA-N 0 3 352.486 2.195 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375707029 558070437 /nfs/dbraw/zinc/07/04/37/558070437.db2.gz VUFVWWZGJGNVMV-UHFFFAOYSA-N 0 3 364.490 2.224 20 30 FEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376571591 558192458 /nfs/dbraw/zinc/19/24/58/558192458.db2.gz BWSWIEHUAZTECJ-PBHICJAKSA-N 0 3 365.441 2.229 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C3CC3)C2)cc1 ZINC000376588850 558194737 /nfs/dbraw/zinc/19/47/37/558194737.db2.gz OORLDIGGYDDXPM-MLGOLLRUSA-N 0 3 363.439 2.015 20 30 FEEDHN C=CCN(C(=O)NCCCC(=O)N(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000376923178 558239768 /nfs/dbraw/zinc/23/97/68/558239768.db2.gz OVUVADDFDXAATC-IBGZPJMESA-N 0 3 372.513 2.327 20 30 FEEDHN CN(C)CCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CCCC1 ZINC000522191609 562193795 /nfs/dbraw/zinc/19/37/95/562193795.db2.gz VQFPPBYNJWQGBA-UHFFFAOYSA-N 0 3 366.469 2.273 20 30 FEEDHN N#CCCCCS(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000377770844 558416909 /nfs/dbraw/zinc/41/69/09/558416909.db2.gz QWQQALBUDWGGAF-OALUTQOASA-N 0 3 361.511 2.464 20 30 FEEDHN C=CCc1cc(CN2CCN([C@@H]3CCCN(C)C3)CC2)cc(OC)c1O ZINC000378357235 558537934 /nfs/dbraw/zinc/53/79/34/558537934.db2.gz VIDZGUNZZZCOFR-LJQANCHMSA-N 0 3 359.514 2.341 20 30 FEEDHN Cn1cc(CN2CCCN(c3ncccn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000378491144 558568609 /nfs/dbraw/zinc/56/86/09/558568609.db2.gz FRAHWJDWRVXGOV-UHFFFAOYSA-N 0 3 373.464 2.461 20 30 FEEDHN C[C@@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1 ZINC000409747428 558718299 /nfs/dbraw/zinc/71/82/99/558718299.db2.gz MZVPQNLNRXQTTN-RYRKJORJSA-N 0 3 366.469 2.222 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000411648119 558935547 /nfs/dbraw/zinc/93/55/47/558935547.db2.gz ZKGYCYAQCGMPFD-UHFFFAOYSA-N 0 3 354.498 2.492 20 30 FEEDHN COC(=O)[C@@H]1CSCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000412086035 559011557 /nfs/dbraw/zinc/01/15/57/559011557.db2.gz UXRNTQIIQFNCOD-KRWDZBQOSA-N 0 3 370.478 2.297 20 30 FEEDHN C=CCNc1ncc(C(=O)N(CCN(C)C)Cc2ccsc2)s1 ZINC000412414316 559033965 /nfs/dbraw/zinc/03/39/65/559033965.db2.gz HQCGFYVUUOIBMM-UHFFFAOYSA-N 0 3 350.513 3.007 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)o1 ZINC000526029620 562264458 /nfs/dbraw/zinc/26/44/58/562264458.db2.gz JQTMQNVHZYHLDR-KRWDZBQOSA-N 0 3 373.501 2.308 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)o1 ZINC000412650765 559048553 /nfs/dbraw/zinc/04/85/53/559048553.db2.gz BQPSEIZTJWVCKI-VQIMIIECSA-N 0 3 353.422 2.418 20 30 FEEDHN N#Cc1csc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000412783665 559056027 /nfs/dbraw/zinc/05/60/27/559056027.db2.gz ZWJQORUYSRDNHZ-UHFFFAOYSA-N 0 3 355.463 2.377 20 30 FEEDHN C=C(C)CN(CC)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413841877 559134285 /nfs/dbraw/zinc/13/42/85/559134285.db2.gz YMNZIWQQJCUTFW-UHFFFAOYSA-N 0 3 372.513 2.492 20 30 FEEDHN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CC2)cc1 ZINC000415457132 559239214 /nfs/dbraw/zinc/23/92/14/559239214.db2.gz SGXYTGJDYIUQRL-KRWDZBQOSA-N 0 3 364.405 2.143 20 30 FEEDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000415506659 559244893 /nfs/dbraw/zinc/24/48/93/559244893.db2.gz SXQNPTZTYHCOAY-LJQANCHMSA-N 0 3 364.449 2.054 20 30 FEEDHN CC(C)(C)c1csc(NC(=O)C(=O)N[C@H](CN)C2CCCC2)c1C#N ZINC000415821039 559274895 /nfs/dbraw/zinc/27/48/95/559274895.db2.gz FACZIIWBCAQZPH-CQSZACIVSA-N 0 3 362.499 2.489 20 30 FEEDHN CN(CCN)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000415875244 559280715 /nfs/dbraw/zinc/28/07/15/559280715.db2.gz CRHHZKHHEJBGEJ-UHFFFAOYSA-N 0 3 374.388 2.067 20 30 FEEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000416462663 559314828 /nfs/dbraw/zinc/31/48/28/559314828.db2.gz RSACYECSLOZDKO-SFHVURJKSA-N 0 3 365.433 2.315 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@](CC)(C(=O)OC)c2ccccc2)CC1 ZINC000416682609 559329565 /nfs/dbraw/zinc/32/95/65/559329565.db2.gz JSKWHRCBBNTENE-NRFANRHFSA-N 0 3 373.497 2.457 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@H](CO)C2)cc1 ZINC000417050345 559345772 /nfs/dbraw/zinc/34/57/72/559345772.db2.gz JWFGVYWOMHCDGR-IPYPFGDCSA-N 0 3 365.455 2.045 20 30 FEEDHN C=CCC[C@@H]1NC(=O)N(CCCCN2CCN(c3ccccc3)CC2)C1=O ZINC000419943229 559465695 /nfs/dbraw/zinc/46/56/95/559465695.db2.gz IHZUYZLOOCPELZ-IBGZPJMESA-N 0 3 370.497 2.475 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@H](c2ccc(SC)cc2)N(C)C)C1=O ZINC000419966489 559466787 /nfs/dbraw/zinc/46/67/87/559466787.db2.gz LJPGRCVZYMFOII-JKSUJKDBSA-N 0 3 363.483 2.134 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421292470 559536431 /nfs/dbraw/zinc/53/64/31/559536431.db2.gz BEKPNSDMPUBPMP-GJZGRUSLSA-N 0 3 374.510 2.429 20 30 FEEDHN CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000421710880 559550406 /nfs/dbraw/zinc/55/04/06/559550406.db2.gz MTSPDYXYEPPZRP-ZBFHGGJFSA-N 0 3 374.872 2.117 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000422544945 559594104 /nfs/dbraw/zinc/59/41/04/559594104.db2.gz REIZGGCPWOXOGD-VQTJNVASSA-N 0 3 369.509 2.377 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423019952 559615258 /nfs/dbraw/zinc/61/52/58/559615258.db2.gz XYXRRJRQUBUSRU-ZWKOTPCHSA-N 0 3 369.490 2.216 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424071800 559653734 /nfs/dbraw/zinc/65/37/34/559653734.db2.gz FGICYUWLSMULNU-OAHLLOKOSA-N 0 3 350.422 2.125 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@H](N)CCCC#N ZINC000424123008 559655426 /nfs/dbraw/zinc/65/54/26/559655426.db2.gz LDBVQGODNXKVPQ-CYBMUJFWSA-N 0 3 366.849 2.123 20 30 FEEDHN N#CCCC[C@H](N)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000424127414 559655686 /nfs/dbraw/zinc/65/56/86/559655686.db2.gz CZRKGVWOQVADBL-KRWDZBQOSA-N 0 3 350.413 2.067 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000424142332 559655865 /nfs/dbraw/zinc/65/58/65/559655865.db2.gz PKNXTZSPFZNWRT-OAHLLOKOSA-N 0 3 355.398 2.486 20 30 FEEDHN C=CCCn1cc(C(=O)N(Cc2ccncc2)C[C@H]2CCCN2CC)nn1 ZINC000424665171 559673040 /nfs/dbraw/zinc/67/30/40/559673040.db2.gz NFYBHAQLFHDQSG-GOSISDBHSA-N 0 3 368.485 2.376 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000424738436 559675159 /nfs/dbraw/zinc/67/51/59/559675159.db2.gz YWLVWHPJZGPIGF-GGPKGHCWSA-N 0 3 357.454 2.008 20 30 FEEDHN N#Cc1cccc([N+](=O)[O-])c1NCCCN1CCN(c2ccncc2)CC1 ZINC000425223471 559692239 /nfs/dbraw/zinc/69/22/39/559692239.db2.gz MQXNLPHLDREFCG-UHFFFAOYSA-N 0 3 366.425 2.486 20 30 FEEDHN CC(C)(C)N1CC[C@H](N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000425384560 559699289 /nfs/dbraw/zinc/69/92/89/559699289.db2.gz MARWGRDYDRGJOA-IBGZPJMESA-N 0 3 354.498 2.465 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000425526259 559707886 /nfs/dbraw/zinc/70/78/86/559707886.db2.gz JLAMVCWZXAYMRQ-INIZCTEOSA-N 0 3 357.502 2.287 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)nn1 ZINC000425567396 559710110 /nfs/dbraw/zinc/71/01/10/559710110.db2.gz SJSXUDJXARFZRW-PBHICJAKSA-N 0 3 374.514 2.408 20 30 FEEDHN C=CCN(C)CCN(CC)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000429711569 559804422 /nfs/dbraw/zinc/80/44/22/559804422.db2.gz FRUAYJKVOACABI-UHFFFAOYSA-N 0 3 355.504 2.004 20 30 FEEDHN CN1CCN(CCCNC(=O)NCC2(CC#N)CC2)[C@H](c2ccccc2)C1 ZINC000430178152 559814786 /nfs/dbraw/zinc/81/47/86/559814786.db2.gz NWTXFMSBUPNARQ-IBGZPJMESA-N 0 3 369.513 2.358 20 30 FEEDHN CN(C)[C@@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000431625268 559842876 /nfs/dbraw/zinc/84/28/76/559842876.db2.gz YSLFNTVELJNTDP-IBGZPJMESA-N 0 3 363.465 2.295 20 30 FEEDHN COC(=O)C1CCN(C(=O)CN[C@H](CCCC#N)c2ccccc2)CC1 ZINC000433023889 559869998 /nfs/dbraw/zinc/86/99/98/559869998.db2.gz UHXYRFBINOIMKX-GOSISDBHSA-N 0 3 357.454 2.423 20 30 FEEDHN COCCN(C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCSC1 ZINC000433193390 559873089 /nfs/dbraw/zinc/87/30/89/559873089.db2.gz QCOYCDGUIQMXPC-SJORKVTESA-N 0 3 350.484 2.142 20 30 FEEDHN CN(C)CCOc1ccccc1CNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000433248440 559874777 /nfs/dbraw/zinc/87/47/77/559874777.db2.gz STQYOKULFRFVOD-UHFFFAOYSA-N 0 3 366.465 2.495 20 30 FEEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000435150862 559917172 /nfs/dbraw/zinc/91/71/72/559917172.db2.gz UPPOZWDUEVVORG-HXUWFJFHSA-N 0 3 368.412 2.456 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000439429419 559993697 /nfs/dbraw/zinc/99/36/97/559993697.db2.gz FJXOMXYOWJBYOO-KRWDZBQOSA-N 0 3 356.470 2.432 20 30 FEEDHN CN(C)C1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCC1 ZINC000445858609 560135709 /nfs/dbraw/zinc/13/57/09/560135709.db2.gz YEJKSSOGXUYDER-MRXNPFEDSA-N 0 3 373.476 2.450 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448601769 560192107 /nfs/dbraw/zinc/19/21/07/560192107.db2.gz XESFSEONGHBVGX-ZBFHGGJFSA-N 0 3 374.872 2.165 20 30 FEEDHN CN(C)C[C@@H]1CCCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449830212 560241732 /nfs/dbraw/zinc/24/17/32/560241732.db2.gz WTKCZCWAKDVTJX-ZDUSSCGKSA-N 0 3 366.259 2.252 20 30 FEEDHN CN(C)CCOc1cc(NC(=O)c2cc(C#N)cc(N(C)C)c2)ccn1 ZINC000450302046 560257653 /nfs/dbraw/zinc/25/76/53/560257653.db2.gz WJUQLMQROZLHEK-UHFFFAOYSA-N 0 3 353.426 2.212 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCCC[C@@H]1C ZINC000451046870 560284526 /nfs/dbraw/zinc/28/45/26/560284526.db2.gz AFJSHYWHXVGVJZ-UONOGXRCSA-N 0 3 353.463 2.380 20 30 FEEDHN C=CCOc1ccc(CC(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc1 ZINC000451260162 560296534 /nfs/dbraw/zinc/29/65/34/560296534.db2.gz INCRDGDXMDPRSJ-UHFFFAOYSA-N 0 3 354.454 2.896 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000451595187 560316579 /nfs/dbraw/zinc/31/65/79/560316579.db2.gz COZWMKMNGUSIGI-SQNIBIBYSA-N 0 3 360.454 2.300 20 30 FEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452027870 560346387 /nfs/dbraw/zinc/34/63/87/560346387.db2.gz XOOXQLIFLDZRPA-CWRNSKLLSA-N 0 3 355.404 2.297 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3cccc(C)c3)CC2)o1 ZINC000452089392 560350519 /nfs/dbraw/zinc/35/05/19/560350519.db2.gz PXJPDVPVBFOLLN-OAHLLOKOSA-N 0 3 367.453 2.163 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453450829 560386990 /nfs/dbraw/zinc/38/69/90/560386990.db2.gz IEZSCVWHZRGYJI-IRXDYDNUSA-N 0 3 365.522 2.499 20 30 FEEDHN CN(C)CCOc1cnccc1CNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454975181 560465692 /nfs/dbraw/zinc/46/56/92/560465692.db2.gz MDENQSHRKLDTQP-UHFFFAOYSA-N 0 3 371.416 2.032 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@@H]2CCOC2)cc1 ZINC000455248569 560475637 /nfs/dbraw/zinc/47/56/37/560475637.db2.gz HGECRRVJLGXVGY-ZIAGYGMSSA-N 0 3 365.455 2.311 20 30 FEEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cc[nH]c(=O)c1 ZINC000458827595 560650792 /nfs/dbraw/zinc/65/07/92/560650792.db2.gz JGOWLHFOXBKADT-OAHLLOKOSA-N 0 3 367.453 2.493 20 30 FEEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@@](O)(CO)C3)c2)c1 ZINC000459665826 560701004 /nfs/dbraw/zinc/70/10/04/560701004.db2.gz BRHYJWNOWLUVHA-NRFANRHFSA-N 0 3 352.434 2.456 20 30 FEEDHN N#Cc1ccc(NC(=O)CCNC2(C(N)=O)C3CC4CC(C3)CC2C4)cc1 ZINC000459775134 560707461 /nfs/dbraw/zinc/70/74/61/560707461.db2.gz MGBHLAKFGSLXNO-UHFFFAOYSA-N 0 3 366.465 2.157 20 30 FEEDHN CCCN(CCN1CCN(CC)CC1)C(=O)NCC1CCC(C#N)CC1 ZINC000460773169 560751570 /nfs/dbraw/zinc/75/15/70/560751570.db2.gz YBQMBHCHNIVCCU-UHFFFAOYSA-N 0 3 363.550 2.375 20 30 FEEDHN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460960199 560757180 /nfs/dbraw/zinc/75/71/80/560757180.db2.gz QTCQFMMFJFNTTA-SFHVURJKSA-N 0 3 369.517 2.389 20 30 FEEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000461785886 560783344 /nfs/dbraw/zinc/78/33/44/560783344.db2.gz DDIXIBAOQDZHOI-WMZOPIPTSA-N 0 3 354.454 2.419 20 30 FEEDHN CN1CCN(CCCNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H](c2ccccc2)C1 ZINC000461961462 560789881 /nfs/dbraw/zinc/78/98/81/560789881.db2.gz VASUFVRJIHYORT-AQNXPRMDSA-N 0 3 369.513 2.357 20 30 FEEDHN COc1cc(CNC(=O)N(CCN(C)C)Cc2ccco2)ccc1C#N ZINC000462472391 560811451 /nfs/dbraw/zinc/81/14/51/560811451.db2.gz IKHDIRIVFRFGAO-UHFFFAOYSA-N 0 3 356.426 2.433 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCCN1CC(C)C ZINC000464209443 560836180 /nfs/dbraw/zinc/83/61/80/560836180.db2.gz VZHJLOIXKSJKEL-MRXNPFEDSA-N 0 3 365.499 2.356 20 30 FEEDHN CN(C)[C@H](CNC(=O)NCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000465429273 560865171 /nfs/dbraw/zinc/86/51/71/560865171.db2.gz FRXPOYXNLNXWMW-IBGZPJMESA-N 0 3 366.465 2.409 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)CN1CCc2ccccc2C1=O)C(C)C ZINC000468505199 560931787 /nfs/dbraw/zinc/93/17/87/560931787.db2.gz DGOWXNYEWXIVIT-HXUWFJFHSA-N 0 3 369.509 2.500 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469376981 560953621 /nfs/dbraw/zinc/95/36/21/560953621.db2.gz KYXZAAJMPRFVGV-UHFFFAOYSA-N 0 3 354.248 2.320 20 30 FEEDHN COC(=O)c1cccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000471095323 560998128 /nfs/dbraw/zinc/99/81/28/560998128.db2.gz LWOXYPOUWIDLJR-IBGZPJMESA-N 0 3 361.401 2.386 20 30 FEEDHN COc1ccc2c(c1)nc(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)n2C ZINC000471142029 560999174 /nfs/dbraw/zinc/99/91/74/560999174.db2.gz ISKVHUDTHIVRDE-INIZCTEOSA-N 0 3 373.416 2.452 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1)C(C)C ZINC000471600850 561008401 /nfs/dbraw/zinc/00/84/01/561008401.db2.gz DZCUCYREDTYJQN-GGPKGHCWSA-N 0 3 365.518 2.274 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@]2(CCO[C@H]2C)C1)C(C)C ZINC000471600852 561008420 /nfs/dbraw/zinc/00/84/20/561008420.db2.gz DZCUCYREDTYJQN-NSHGMRRFSA-N 0 3 365.518 2.274 20 30 FEEDHN COc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc(OC)c1O ZINC000472354211 561024927 /nfs/dbraw/zinc/02/49/27/561024927.db2.gz VCGNTIZPEISOGT-INIZCTEOSA-N 0 3 365.389 2.280 20 30 FEEDHN Cn1ncc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1C#N ZINC000474788226 561082880 /nfs/dbraw/zinc/08/28/80/561082880.db2.gz QDKRCLBLQOPZPO-INIZCTEOSA-N 0 3 365.437 2.010 20 30 FEEDHN COCCN(C)CC[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000475669948 561101850 /nfs/dbraw/zinc/10/18/50/561101850.db2.gz TUHNRFWDZKKUQN-LJQANCHMSA-N 0 3 352.438 2.393 20 30 FEEDHN COc1ccc(CC(=O)C(C#N)C(=O)N2CCCC2)cc1OC(F)F ZINC000528916861 562352849 /nfs/dbraw/zinc/35/28/49/562352849.db2.gz RXYPRWRONZQKRA-LBPRGKRZSA-N 0 3 352.337 2.170 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000528993881 562355757 /nfs/dbraw/zinc/35/57/57/562355757.db2.gz BDGGUKLGQXPNTO-UBSBXFKZSA-N 0 3 350.365 2.349 20 30 FEEDHN COCc1ccc(NC(=O)N2CCN(CC3CCOCC3)CC2)cc1C#N ZINC000529216354 562365363 /nfs/dbraw/zinc/36/53/63/562365363.db2.gz NRLPPTCNAMVIJH-UHFFFAOYSA-N 0 3 372.469 2.281 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000529924594 562391790 /nfs/dbraw/zinc/39/17/90/562391790.db2.gz BYTPZWQBBGQBDL-KRWDZBQOSA-N 0 3 357.417 2.493 20 30 FEEDHN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336861 562407490 /nfs/dbraw/zinc/40/74/90/562407490.db2.gz FLZVQQGVNSNPBZ-SCLBCKFNSA-N 0 3 355.438 2.449 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000546005636 562632629 /nfs/dbraw/zinc/63/26/29/562632629.db2.gz SVMJJQDDWGKQHL-CRAIPNDOSA-N 0 3 371.485 2.057 20 30 FEEDHN N#Cc1cnn2cc(CNCCc3cc(Cl)c4c(c3)OCCO4)cnc12 ZINC000550156971 562643414 /nfs/dbraw/zinc/64/34/14/562643414.db2.gz OIUFIDLEQPHYND-UHFFFAOYSA-N 0 3 369.812 2.358 20 30 FEEDHN C=C(C)C[C@@H](NC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C(=O)OC ZINC000601784667 567840539 /nfs/dbraw/zinc/84/05/39/567840539.db2.gz GMZFEEXYQGTDFG-LJQANCHMSA-N 0 3 374.481 2.129 20 30 FEEDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602572247 567996220 /nfs/dbraw/zinc/99/62/20/567996220.db2.gz DJLCZWXEMYWCRJ-DBXWQHBBSA-N 0 3 353.466 2.170 20 30 FEEDHN CN(c1ccccc1CN1CCN(CCC#N)CC1)C1CCN(C)CC1 ZINC000602747595 568022449 /nfs/dbraw/zinc/02/24/49/568022449.db2.gz CVSJOQPAKHUAPS-UHFFFAOYSA-N 0 3 355.530 2.248 20 30 FEEDHN N#CCCN(C(=O)Cn1cc(CNC2CCCC2)nn1)c1ccccc1 ZINC000603167205 568070428 /nfs/dbraw/zinc/07/04/28/568070428.db2.gz UOJCDTWRRPFFRH-UHFFFAOYSA-N 0 3 352.442 2.257 20 30 FEEDHN C=CCOc1ccc(C(=O)NCCCN2CCC(C(=O)OC)CC2)cc1 ZINC000603671625 568133143 /nfs/dbraw/zinc/13/31/43/568133143.db2.gz JRBRYIKQDSDTIU-UHFFFAOYSA-N 0 3 360.454 2.256 20 30 FEEDHN CN(C)C[C@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000569900195 568434863 /nfs/dbraw/zinc/43/48/63/568434863.db2.gz XXCJKYUSLWBZLQ-IBGZPJMESA-N 0 3 371.506 2.094 20 30 FEEDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000561504133 674672813 /nfs/dbraw/zinc/67/28/13/674672813.db2.gz ALKJKZMUBRAIHP-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN CO[C@@H]1COC[C@H]1NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000563083295 674847521 /nfs/dbraw/zinc/84/75/21/674847521.db2.gz FWGGOMUXXWWCKB-NILFDRSVSA-N 0 3 363.483 2.077 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1cscc1Br ZINC000815905017 674983459 /nfs/dbraw/zinc/98/34/59/674983459.db2.gz WUXPHBFKQLIDOA-NSHDSACASA-N 0 3 373.272 2.305 20 30 FEEDHN N#Cc1c(Br)cccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000565541006 675131090 /nfs/dbraw/zinc/13/10/90/675131090.db2.gz KDESDQBKCYAYFX-CYBMUJFWSA-N 0 3 350.260 2.479 20 30 FEEDHN C#CCOc1ccc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000113323110 670883663 /nfs/dbraw/zinc/88/36/63/670883663.db2.gz DGCHLKMIGZRORP-UHFFFAOYSA-N 0 3 358.463 2.239 20 30 FEEDHN O=C(NCCNCc1ccc(Br)s1)C1N=CC=CC1=O ZINC000113360761 670884270 /nfs/dbraw/zinc/88/42/70/670884270.db2.gz FKBXLDANKBGBRC-SEYXRHQNSA-N 0 3 356.245 2.127 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1 ZINC000565945909 675162901 /nfs/dbraw/zinc/16/29/01/675162901.db2.gz BSELUFCIHMCTHL-JCNLHEQBSA-N 0 3 359.426 2.402 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000119649683 671904548 /nfs/dbraw/zinc/90/45/48/671904548.db2.gz HHTRHNQTZIDYDV-UHFFFAOYSA-N 0 3 365.271 2.419 20 30 FEEDHN CC(C)(CNCc1cn(CCC#N)nc1-c1ccccc1)S(C)(=O)=O ZINC000610511579 675977184 /nfs/dbraw/zinc/97/71/84/675977184.db2.gz INQAKYNZKWSJLF-UHFFFAOYSA-N 0 3 360.483 2.377 20 30 FEEDHN CCC(CC)(CC(=O)OC)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000611090348 676016680 /nfs/dbraw/zinc/01/66/80/676016680.db2.gz QZYKVDXGVFNQKB-UHFFFAOYSA-N 0 3 352.456 2.043 20 30 FEEDHN CC#CCCN1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000186098112 672541114 /nfs/dbraw/zinc/54/11/14/672541114.db2.gz KZRLWXCDEQSZFQ-MRXNPFEDSA-N 0 3 351.491 2.285 20 30 FEEDHN CN1C[C@H]2[C@@H](CCN2CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000590012738 672554568 /nfs/dbraw/zinc/55/45/68/672554568.db2.gz XDOBZISKBHEFMJ-BBRMVZONSA-N 0 3 358.511 2.463 20 30 FEEDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000590587000 672592867 /nfs/dbraw/zinc/59/28/67/672592867.db2.gz ZGOUGHAIPIDHAV-ZIAGYGMSSA-N 0 3 361.389 2.338 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](CO)N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000591029349 672643188 /nfs/dbraw/zinc/64/31/88/672643188.db2.gz JJOLPMQQFITPHX-COXVUDFISA-N 0 3 355.463 2.479 20 30 FEEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(F)c(Br)c1 ZINC000591735171 672706228 /nfs/dbraw/zinc/70/62/28/672706228.db2.gz WQARFJYMIGAVRC-YPMHNXCESA-N 0 3 358.255 2.445 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000245545254 672820371 /nfs/dbraw/zinc/82/03/71/672820371.db2.gz SZUUXCQXECHQKD-WBVHZDCISA-N 0 3 365.499 2.271 20 30 FEEDHN CC(C)OC(=O)C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000594038472 673024297 /nfs/dbraw/zinc/02/42/97/673024297.db2.gz ABVOXUFRWQPMBL-KRWDZBQOSA-N 0 3 366.483 2.288 20 30 FEEDHN CN1CC[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594445836 673072979 /nfs/dbraw/zinc/07/29/79/673072979.db2.gz KYFZGEBVBMWIPH-ULQDDVLXSA-N 0 3 350.413 2.237 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000594445406 673073117 /nfs/dbraw/zinc/07/31/17/673073117.db2.gz KCCMDHYLGOXSFA-INIZCTEOSA-N 0 3 364.877 2.204 20 30 FEEDHN COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@@H](N)CCCCC#N ZINC000594446862 673073263 /nfs/dbraw/zinc/07/32/63/673073263.db2.gz YKNFPZGRSDEETP-ZDUSSCGKSA-N 0 3 366.849 2.205 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809206 673091416 /nfs/dbraw/zinc/09/14/16/673091416.db2.gz IUJWINKNWSZSMR-CVEARBPZSA-N 0 3 351.491 2.422 20 30 FEEDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000595631325 673276237 /nfs/dbraw/zinc/27/62/37/673276237.db2.gz HENBHGLJLRXXMF-SQWLQELKSA-N 0 3 365.499 2.331 20 30 FEEDHN C[C@@](O)(C1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1)C(F)(F)F ZINC000599367002 673664592 /nfs/dbraw/zinc/66/45/92/673664592.db2.gz ZZHGFOPXNJOABE-HUUCEWRRSA-N 0 3 364.408 2.083 20 30 FEEDHN N#CC1(C[C@@H](O)CN[C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000599425420 673674362 /nfs/dbraw/zinc/67/43/62/673674362.db2.gz GKTXOACFVZQANW-RISCZKNCSA-N 0 3 357.223 2.266 20 30 FEEDHN COC(=O)c1cnc(C2CCN(C[C@@H](O)CC(C)(C)C#N)CC2)s1 ZINC000599557100 673691361 /nfs/dbraw/zinc/69/13/61/673691361.db2.gz XDGXNNVSJLCQSQ-ZDUSSCGKSA-N 0 3 351.472 2.410 20 30 FEEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1F ZINC000601157713 673829481 /nfs/dbraw/zinc/82/94/81/673829481.db2.gz DXAAWGRLGLJDST-IAGOWNOFSA-N 0 3 351.447 2.180 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000601374142 673850823 /nfs/dbraw/zinc/85/08/23/673850823.db2.gz BHCMFXGYJGRTSO-CZUORRHYSA-N 0 3 351.447 2.111 20 30 FEEDHN N#Cc1ccsc1N1CC[C@@H](n2cc(CNC3CCCC3)nn2)C1=O ZINC000603195111 673918987 /nfs/dbraw/zinc/91/89/87/673918987.db2.gz RRUSEGUXVQOHQU-OAHLLOKOSA-N 0 3 356.455 2.221 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl ZINC000818602780 675227794 /nfs/dbraw/zinc/22/77/94/675227794.db2.gz DUNCXLOMGJTLDB-UHFFFAOYSA-N 0 3 359.861 2.222 20 30 FEEDHN C#CCN(C)CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000818608951 675228572 /nfs/dbraw/zinc/22/85/72/675228572.db2.gz AIIHFFBPDLFHJH-UHFFFAOYSA-N 0 3 355.847 2.412 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)CC1 ZINC000819622431 675305211 /nfs/dbraw/zinc/30/52/11/675305211.db2.gz YFPIUKKPSGLHLT-KRWDZBQOSA-N 0 3 350.503 2.452 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)[C@@H](O)c1c(F)cccc1F ZINC000838622839 680706572 /nfs/dbraw/zinc/70/65/72/680706572.db2.gz PYGDECBETDCRGF-NVXWUHKLSA-N 0 3 353.413 2.031 20 30 FEEDHN C#C[C@@H](NCCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H]1CCCO1 ZINC000839565642 680762343 /nfs/dbraw/zinc/76/23/43/680762343.db2.gz ZETAAGXYGSYWFT-UKRRQHHQSA-N 0 3 366.845 2.456 20 30 FEEDHN C=CCN1CC[C@@H](N(C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000839591521 680764371 /nfs/dbraw/zinc/76/43/71/680764371.db2.gz JPMVTPKCPIFABZ-JKSUJKDBSA-N 0 3 351.491 2.352 20 30 FEEDHN C=CCCC1(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCCC1 ZINC000668527571 679182423 /nfs/dbraw/zinc/18/24/23/679182423.db2.gz WSAZYUNOZKAVLL-LJQANCHMSA-N 0 3 367.559 2.183 20 30 FEEDHN N#CC(C(=O)COCC1CCCC1)C(=O)NCc1ccc(F)c(F)c1 ZINC000835338972 680321256 /nfs/dbraw/zinc/32/12/56/680321256.db2.gz CXUAXKCCRKWKIL-AWEZNQCLSA-N 0 3 350.365 2.497 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC[C@@H]3CC3(Cl)Cl)C[C@H]21 ZINC001026056823 680340467 /nfs/dbraw/zinc/34/04/67/680340467.db2.gz DRPYDDNZHODGKH-JNWWKETESA-N 0 3 359.297 2.208 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)NCc2cnns2)CC1 ZINC001029156655 680387926 /nfs/dbraw/zinc/38/79/26/680387926.db2.gz KRZIGCGTCKPSKK-JQFCIGGWSA-N 0 3 364.515 2.236 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CCN(CCc2ccns2)CC1 ZINC001001414718 680461176 /nfs/dbraw/zinc/46/11/76/680461176.db2.gz ZCHJNYNBTICIOV-MSOLQXFVSA-N 0 3 363.527 2.495 20 30 FEEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001004456805 680556350 /nfs/dbraw/zinc/55/63/50/680556350.db2.gz IFYRNWYIYYFIBH-UAGQMJEPSA-N 0 3 356.894 2.246 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=S)NC[C@H]1CCCCO1 ZINC000758211738 680562662 /nfs/dbraw/zinc/56/26/62/680562662.db2.gz CVIJNHMYLGTORK-GOSISDBHSA-N 0 3 360.527 2.365 20 30 FEEDHN CON=CC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000837215360 680569479 /nfs/dbraw/zinc/56/94/79/680569479.db2.gz JHZKTPSJFREZBN-UHFFFAOYSA-N 0 3 364.877 2.085 20 30 FEEDHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2nc(Cl)c(C#N)s2)C1)N(C)C ZINC001043262416 680570012 /nfs/dbraw/zinc/57/00/12/680570012.db2.gz PRYBWTBYLWKOOU-GMTAPVOTSA-N 0 3 355.895 2.267 20 30 FEEDHN Cc1nn(C)c(C)c1OCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000758506294 680587622 /nfs/dbraw/zinc/58/76/22/680587622.db2.gz COKCNMGRLKCJET-LBPRGKRZSA-N 0 3 360.801 2.417 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCO[C@H](CNCc2ccsc2)C1 ZINC001051861199 681070242 /nfs/dbraw/zinc/07/02/42/681070242.db2.gz BEELVFYEQHGDMS-SQNIBIBYSA-N 0 3 364.511 2.436 20 30 FEEDHN C=CCN1CC[C@H](N[C@](C)(CO)Cc2ccc(Br)cc2)C1=O ZINC000933443817 681413901 /nfs/dbraw/zinc/41/39/01/681413901.db2.gz ZMSWJCAZYFCENU-RDJZCZTQSA-N 0 3 367.287 2.119 20 30 FEEDHN N#Cc1ccc([C@@H](O)C(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000780887507 681883920 /nfs/dbraw/zinc/88/39/20/681883920.db2.gz GZRISLGAASBBKC-QGZVFWFLSA-N 0 3 359.495 2.069 20 30 FEEDHN CC(C)N(CC(=O)C(C#N)C(=O)NC1CCCC1)C(=O)OC(C)(C)C ZINC000850768042 681958044 /nfs/dbraw/zinc/95/80/44/681958044.db2.gz KKAYHFVJKGMACU-AWEZNQCLSA-N 0 3 351.447 2.400 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1ccn(C)n1 ZINC000782581231 682059903 /nfs/dbraw/zinc/05/99/03/682059903.db2.gz JICRJOIHENJQOM-LBPRGKRZSA-N 0 3 360.801 2.281 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC(NCc2cnns2)CC1 ZINC000963338090 682138484 /nfs/dbraw/zinc/13/84/84/682138484.db2.gz PMEVMOSXEHIVGM-MMADZMRASA-N 0 3 364.515 2.379 20 30 FEEDHN C=C(Br)CNC1CC2(C1)CC(NC(=O)[C@H]1OCC[C@H]1C)C2 ZINC000965122630 682183745 /nfs/dbraw/zinc/18/37/45/682183745.db2.gz YZHKNYSHJPBVPB-ZEGWEMQFSA-N 0 3 357.292 2.337 20 30 FEEDHN CC(=O)Nc1ccc(S[C@@H](C)C(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000916875250 685528361 /nfs/dbraw/zinc/52/83/61/685528361.db2.gz LOEKABYRHRMSKJ-BLLLJJGKSA-N 0 3 359.451 2.457 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)OCC)C1 ZINC000916874668 685528397 /nfs/dbraw/zinc/52/83/97/685528397.db2.gz HYZDQBHRSYTGQJ-LSDHHAIUSA-N 0 3 351.447 2.260 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCSc1nc2ccccc2s1 ZINC000916889640 685528469 /nfs/dbraw/zinc/52/84/69/685528469.db2.gz AQAWLRSSQAQZLV-LLVKDONJSA-N 0 3 363.464 2.250 20 30 FEEDHN N#CC(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)NC1CC1 ZINC000916926541 685528583 /nfs/dbraw/zinc/52/85/83/685528583.db2.gz ILCIRIDQLQMORO-YGRLFVJLSA-N 0 3 363.826 2.130 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000784486458 682232262 /nfs/dbraw/zinc/23/22/62/682232262.db2.gz MFKJBCWPVTYNKO-HNNXBMFYSA-N 0 3 364.829 2.069 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000972340119 682407976 /nfs/dbraw/zinc/40/79/76/682407976.db2.gz QHCBGNWPCWTQPM-HUUCEWRRSA-N 0 3 367.921 2.309 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(C1)CN(CCC(C)C)CCO2 ZINC000972391872 682412536 /nfs/dbraw/zinc/41/25/36/682412536.db2.gz DOIFUWGOLODEHQ-WSTZPKSXSA-N 0 3 350.503 2.317 20 30 FEEDHN N#Cc1ncc(Br)cc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000853451304 682415253 /nfs/dbraw/zinc/41/52/53/682415253.db2.gz GGDPPZNFKWOMSL-CYBMUJFWSA-N 0 3 351.248 2.381 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)[C@@H]2C1 ZINC000972648890 682427749 /nfs/dbraw/zinc/42/77/49/682427749.db2.gz KRMGJCAGPMUAII-BZUAXINKSA-N 0 3 367.921 2.165 20 30 FEEDHN C#CCN(CC#CC)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792276842 682801358 /nfs/dbraw/zinc/80/13/58/682801358.db2.gz GHUGLFXZFKVVAZ-UHFFFAOYSA-N 0 3 355.404 2.460 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000796631103 683179993 /nfs/dbraw/zinc/17/99/93/683179993.db2.gz NJMAZLIBLVSOPD-SECBINFHSA-N 0 3 370.381 2.048 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cn(C3CC3)nn2)cc1Cl ZINC000860473756 683248703 /nfs/dbraw/zinc/24/87/03/683248703.db2.gz RLYZQEXEGAZVPC-LLVKDONJSA-N 0 3 359.773 2.236 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CNC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000922208799 683679768 /nfs/dbraw/zinc/67/97/68/683679768.db2.gz VLJBJPCXHBBNAX-MRXNPFEDSA-N 0 3 356.447 2.500 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(Br)cn2)CC1 ZINC000868284927 684475295 /nfs/dbraw/zinc/47/52/95/684475295.db2.gz YYTQQNVFJRQAAI-UHFFFAOYSA-N 0 3 353.264 2.294 20 30 FEEDHN CSc1ccc(CN2C(=O)N[C@H](CN3CCCCC3)C2=O)cc1C#N ZINC000925120062 684525564 /nfs/dbraw/zinc/52/55/64/684525564.db2.gz VGIGXESYIAAMEX-OAHLLOKOSA-N 0 3 358.467 2.186 20 30 FEEDHN C#CCN(C(=O)NC[C@H](CC)C(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000925692617 684578944 /nfs/dbraw/zinc/57/89/44/684578944.db2.gz OJZVDVMOFYCEPM-HNNXBMFYSA-N 0 3 351.491 2.093 20 30 FEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000870143650 684687374 /nfs/dbraw/zinc/68/73/74/684687374.db2.gz WJPKJMJJNPTQQV-BYNSBNAKSA-N 0 3 359.223 2.322 20 30 FEEDHN COCCn1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000870143793 684687425 /nfs/dbraw/zinc/68/74/25/684687425.db2.gz YJWBOJJZXJUEGI-GFCCVEGCSA-N 0 3 364.764 2.283 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)CC(=O)Nc1ccccc1OC ZINC000876556711 686219476 /nfs/dbraw/zinc/21/94/76/686219476.db2.gz QHPJSQDALFHRIH-ZDUSSCGKSA-N 0 3 353.850 2.342 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000876580536 686223885 /nfs/dbraw/zinc/22/38/85/686223885.db2.gz NFZGDLGPWRDHKV-HNNXBMFYSA-N 0 3 353.825 2.016 20 30 FEEDHN CCN1CCN(CCCNc2ncc(C#N)cc2Br)CC1 ZINC000881803691 687221234 /nfs/dbraw/zinc/22/12/34/687221234.db2.gz DGBHUOVNLCZIJJ-UHFFFAOYSA-N 0 3 352.280 2.155 20 30 FEEDHN O=C(CN1C[C@@H]2CSC[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000886564184 688275523 /nfs/dbraw/zinc/27/55/23/688275523.db2.gz PBOMLALYSQQOGA-GASCZTMLSA-N 0 3 368.424 2.468 20 30 FEEDHN C#CCN(C(=O)c1ccc(C2N=NC(=S)O2)cc1)C1CCN(C)CC1 ZINC000886579085 688279261 /nfs/dbraw/zinc/27/92/61/688279261.db2.gz XLFWGSVJOXKCRO-UHFFFAOYSA-N 0 3 356.451 2.195 20 30 FEEDHN C#CCC1(NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000887124448 688369744 /nfs/dbraw/zinc/36/97/44/688369744.db2.gz DYODXZVXXRNCGE-UHFFFAOYSA-N 0 3 351.790 2.349 20 30 FEEDHN C#CCN1CCC(Nc2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 ZINC000895803644 689773454 /nfs/dbraw/zinc/77/34/54/689773454.db2.gz JNRSKHOCAHWMAA-UHFFFAOYSA-N 0 3 356.857 2.455 20 30 FEEDHN C#CCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)C1CSC1 ZINC000903245947 690875387 /nfs/dbraw/zinc/87/53/87/690875387.db2.gz JSEKLLOPRILBII-UHFFFAOYSA-N 0 3 358.511 2.411 20 30 FEEDHN C[C@](O)(CN[C@@H]1CCCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F ZINC000905183731 691076746 /nfs/dbraw/zinc/07/67/46/691076746.db2.gz UXPBFSDLGDEITR-APPZFPTMSA-N 0 3 372.256 2.078 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cc1cc(OC)ccc1Br ZINC000818605991 675228056 /nfs/dbraw/zinc/22/80/56/675228056.db2.gz AQIPGLOBTHBYFD-UHFFFAOYSA-N 0 3 353.260 2.072 20 30 FEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000028922724 539839653 /nfs/dbraw/zinc/83/96/53/539839653.db2.gz PYZCVDLCNAAHTQ-QGZVFWFLSA-N 0 3 350.418 2.332 20 30 FEEDHN CCN1CCC(NC(=O)CSc2nc3c(c(C)c2C#N)CCC3)CC1 ZINC000030028275 539872857 /nfs/dbraw/zinc/87/28/57/539872857.db2.gz SIOXRMCGIWPLOH-UHFFFAOYSA-N 0 3 358.511 2.443 20 30 FEEDHN N#Cc1ccc(NC(=O)CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1Cl ZINC000550502331 674098891 /nfs/dbraw/zinc/09/88/91/674098891.db2.gz HCJFQPDEHOAANR-ROUUACIJSA-N 0 3 363.845 2.060 20 30 FEEDHN CC(=O)NCCCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010540 540284577 /nfs/dbraw/zinc/28/45/77/540284577.db2.gz DCRHVVDQEMDRSK-UHFFFAOYSA-N 0 3 358.486 2.145 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000047415455 540308527 /nfs/dbraw/zinc/30/85/27/540308527.db2.gz DKPYFOIWBGCIBB-UONOGXRCSA-N 0 3 358.486 2.033 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000047415455 540308529 /nfs/dbraw/zinc/30/85/29/540308529.db2.gz DKPYFOIWBGCIBB-UONOGXRCSA-N 0 3 358.486 2.033 20 30 FEEDHN CCOCCCNC(=O)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000051739015 540442713 /nfs/dbraw/zinc/44/27/13/540442713.db2.gz RRQSTOKRSWNHCJ-UHFFFAOYSA-N 0 3 359.470 2.192 20 30 FEEDHN N#Cc1ccc(OCCCN2CCC(C(=O)Nc3cnccn3)CC2)cc1 ZINC000054250834 540577799 /nfs/dbraw/zinc/57/77/99/540577799.db2.gz JSCDKCRHYLKIAD-UHFFFAOYSA-N 0 3 365.437 2.468 20 30 FEEDHN CCN1CCC(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000053975477 540562490 /nfs/dbraw/zinc/56/24/90/540562490.db2.gz ZUARBCHASHEFNI-UHFFFAOYSA-N 0 3 369.513 2.260 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCC(C#N)CC2)CC1 ZINC000060990237 541124362 /nfs/dbraw/zinc/12/43/62/541124362.db2.gz KAGHHDHBXPWCTN-UHFFFAOYSA-N 0 3 369.513 2.269 20 30 FEEDHN COCCN(CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc(C#N)cc1 ZINC000063753464 541183915 /nfs/dbraw/zinc/18/39/15/541183915.db2.gz XROYWDKHFCNGQQ-UHFFFAOYSA-N 0 3 362.433 2.486 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000067345251 541447214 /nfs/dbraw/zinc/44/72/14/541447214.db2.gz IZFADYPCIWRGJU-HOTGVXAUSA-N 0 3 359.470 2.427 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000067537226 541476482 /nfs/dbraw/zinc/47/64/82/541476482.db2.gz LIZIKXKZIBDDMX-OAHLLOKOSA-N 0 3 350.850 2.426 20 30 FEEDHN C=CC[C@@H]1N(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCCC1(C)C ZINC000550838873 674113962 /nfs/dbraw/zinc/11/39/62/674113962.db2.gz MDLZQBZBQQCGST-KXBFYZLASA-N 0 3 367.559 2.133 20 30 FEEDHN CCC[C@@]1(C)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072896282 541891107 /nfs/dbraw/zinc/89/11/07/541891107.db2.gz FYFMXINYTICVCO-FQEVSTJZSA-N 0 3 373.501 2.406 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000545197751 541900225 /nfs/dbraw/zinc/90/02/25/541900225.db2.gz OAHZBIHRWOXDLY-MRXNPFEDSA-N 0 3 365.441 2.149 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)CC1 ZINC000073436512 541953754 /nfs/dbraw/zinc/95/37/54/541953754.db2.gz DSQPMHCWWZPETP-MRXNPFEDSA-N 0 3 362.518 2.117 20 30 FEEDHN COC(=O)[C@H]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705391 541989232 /nfs/dbraw/zinc/98/92/32/541989232.db2.gz FRRICYRZNFVATE-OALUTQOASA-N 0 3 371.481 2.428 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C(=O)N(CC)CC)CC1 ZINC000074129997 542040997 /nfs/dbraw/zinc/04/09/97/542040997.db2.gz WJQQVKCJQSJIAQ-KRWDZBQOSA-N 0 3 350.507 2.069 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074656846 542108627 /nfs/dbraw/zinc/10/86/27/542108627.db2.gz DPPMISNZQZHMED-LJQANCHMSA-N 0 3 358.530 2.310 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000074659205 542109952 /nfs/dbraw/zinc/10/99/52/542109952.db2.gz NPMPQPUKMBJPRA-DLBZAZTESA-N 0 3 357.502 2.192 20 30 FEEDHN C[C@@H](NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)c1cccc(C#N)c1 ZINC000074917968 542135983 /nfs/dbraw/zinc/13/59/83/542135983.db2.gz GARCSCLKRQCRTP-APWZRJJASA-N 0 3 355.486 2.041 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)c(F)c1 ZINC000076982096 542338622 /nfs/dbraw/zinc/33/86/22/542338622.db2.gz NDFLAMXFSVCMEV-QGZVFWFLSA-N 0 3 371.460 2.013 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000077371650 542374137 /nfs/dbraw/zinc/37/41/37/542374137.db2.gz YAFYDFMNDPVIQI-UTKZUKDTSA-N 0 3 354.498 2.391 20 30 FEEDHN CC(C)C1CCC(N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)CC1 ZINC000084715731 542719868 /nfs/dbraw/zinc/71/98/68/542719868.db2.gz RCRHGTMMIXREOY-UHFFFAOYSA-N 0 3 373.545 2.475 20 30 FEEDHN CCS[C@H]1CCCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618634 542875573 /nfs/dbraw/zinc/87/55/73/542875573.db2.gz PMKXNWHHCRMHKF-ROUUACIJSA-N 0 3 366.575 2.286 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn2ccccc2n1 ZINC000102638405 543075526 /nfs/dbraw/zinc/07/55/26/543075526.db2.gz FHRXFRJKOUUQIR-UHFFFAOYSA-N 0 3 361.449 2.339 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(C)C ZINC000102962988 543086863 /nfs/dbraw/zinc/08/68/63/543086863.db2.gz KMCWAMWWWKEDKK-SFHVURJKSA-N 0 3 372.444 2.451 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000106321507 543222933 /nfs/dbraw/zinc/22/29/33/543222933.db2.gz VVGYGVAZMDZJHL-UHFFFAOYSA-N 0 3 374.485 2.316 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CNC(=O)CCC)C2)CC1 ZINC000106340899 543224814 /nfs/dbraw/zinc/22/48/14/543224814.db2.gz GLVGPFHROFTPQA-QGZVFWFLSA-N 0 3 364.534 2.365 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cccc(O)c3)CC2)CC1 ZINC000106341291 543224832 /nfs/dbraw/zinc/22/48/32/543224832.db2.gz BNYQOWFPUQPVSK-UHFFFAOYSA-N 0 3 358.486 2.264 20 30 FEEDHN COCCN(C)CC[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000107477156 543271173 /nfs/dbraw/zinc/27/11/73/543271173.db2.gz FZEYNQFAZUELEY-GOSISDBHSA-N 0 3 352.438 2.393 20 30 FEEDHN N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000108613193 543298119 /nfs/dbraw/zinc/29/81/19/543298119.db2.gz HWHCGJJVUSGGAX-OAHLLOKOSA-N 0 3 372.494 2.328 20 30 FEEDHN C=CCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000109105284 543314237 /nfs/dbraw/zinc/31/42/37/543314237.db2.gz NFYKNQGJMZXJIH-UHFFFAOYSA-N 0 3 373.478 2.351 20 30 FEEDHN N#C[C@@]1(NC(=O)CCCN2CCN(c3ccccc3)CC2)CCSC1 ZINC000111566217 543406800 /nfs/dbraw/zinc/40/68/00/543406800.db2.gz WKUFKQFHJFBRFO-IBGZPJMESA-N 0 3 358.511 2.104 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)CC1 ZINC000114649685 543527645 /nfs/dbraw/zinc/52/76/45/543527645.db2.gz DJLCMDVAZOCRAR-QGZVFWFLSA-N 0 3 356.401 2.068 20 30 FEEDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125724524 543898133 /nfs/dbraw/zinc/89/81/33/543898133.db2.gz OPXVZIRPXFRBCF-CYBMUJFWSA-N 0 3 357.426 2.331 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000130209332 544142966 /nfs/dbraw/zinc/14/29/66/544142966.db2.gz AWRXGUFGTIOVLT-GOSISDBHSA-N 0 3 355.442 2.358 20 30 FEEDHN N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCCc4[nH]ncc43)CC2)cc1 ZINC000132568822 544236384 /nfs/dbraw/zinc/23/63/84/544236384.db2.gz XBNXDZYRMGUUDO-GOSISDBHSA-N 0 3 363.465 2.436 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)c1C#N ZINC000133426711 544269008 /nfs/dbraw/zinc/26/90/08/544269008.db2.gz DBNPKAXFEMKBBO-UHFFFAOYSA-N 0 3 368.372 2.480 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000134127785 544294956 /nfs/dbraw/zinc/29/49/56/544294956.db2.gz STPRTESXLMGVSS-MRXNPFEDSA-N 0 3 359.470 2.380 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000136039483 544365661 /nfs/dbraw/zinc/36/56/61/544365661.db2.gz QKHXGOOUGDUBFG-ZDUSSCGKSA-N 0 3 360.433 2.263 20 30 FEEDHN C[C@@H](C(=O)N1CCCc2ccccc21)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153271610 544754989 /nfs/dbraw/zinc/75/49/89/544754989.db2.gz RUASPGBWDSSPRY-AWEZNQCLSA-N 0 3 366.469 2.096 20 30 FEEDHN C[C@@H](NC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)cc1 ZINC000153283029 544756347 /nfs/dbraw/zinc/75/63/47/544756347.db2.gz ALNWEWLUHWRWEY-CHWSQXEVSA-N 0 3 372.448 2.133 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C)nc1C)C(C)C ZINC000154543573 544919587 /nfs/dbraw/zinc/91/95/87/544919587.db2.gz RLMPDMRGKKAGEV-SFHVURJKSA-N 0 3 358.486 2.452 20 30 FEEDHN CCc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc(=O)[nH]1 ZINC000181379086 327727665 /nfs/dbraw/zinc/72/76/65/327727665.db2.gz HQEGPBFRXSLTBQ-UHFFFAOYSA-N 0 3 352.438 2.013 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184592231 327874356 /nfs/dbraw/zinc/87/43/56/327874356.db2.gz XURHYAKQYPKJGI-CQSZACIVSA-N 0 3 353.430 2.135 20 30 FEEDHN COC(=O)COc1ccc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000185671558 327927289 /nfs/dbraw/zinc/92/72/89/327927289.db2.gz GNBBIMKFOVFWPJ-KUHUBIRLSA-N 0 3 354.406 2.494 20 30 FEEDHN C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000186494891 327964643 /nfs/dbraw/zinc/96/46/43/327964643.db2.gz ROLYTDYUTXFGLK-QRWLVFNGSA-N 0 3 364.449 2.096 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000187668787 328038633 /nfs/dbraw/zinc/03/86/33/328038633.db2.gz DCRFFVQSGXYRIX-OAHLLOKOSA-N 0 3 351.454 2.495 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)cc1 ZINC000188168947 328070754 /nfs/dbraw/zinc/07/07/54/328070754.db2.gz RLYPGNGAUZGSFY-JOCHJYFZSA-N 0 3 363.461 2.196 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)ccn1 ZINC000188955045 328119627 /nfs/dbraw/zinc/11/96/27/328119627.db2.gz QCMPDVZKGWMDLD-UHFFFAOYSA-N 0 3 364.449 2.242 20 30 FEEDHN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089943754 325344647 /nfs/dbraw/zinc/34/46/47/325344647.db2.gz HYRLHNBHBFHNLP-LSDHHAIUSA-N 0 3 368.485 2.302 20 30 FEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000098027189 325464181 /nfs/dbraw/zinc/46/41/81/325464181.db2.gz NEZHWAOKEKANJD-SFHVURJKSA-N 0 3 372.517 2.151 20 30 FEEDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000104752086 325545088 /nfs/dbraw/zinc/54/50/88/325545088.db2.gz OQXNIYHIMLXZCD-UHFFFAOYSA-N 0 3 373.906 2.191 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000245687653 328566579 /nfs/dbraw/zinc/56/65/79/328566579.db2.gz NOBDQAGVHCZVDC-RBSFLKMASA-N 0 3 356.470 2.288 20 30 FEEDHN C[C@@H](Oc1cccnc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000117758748 326069668 /nfs/dbraw/zinc/06/96/68/326069668.db2.gz VLYDCUINOXGZRS-MRXNPFEDSA-N 0 3 352.438 2.311 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)CC2CCN(C)CC2)cc1C#N ZINC000161042756 326986185 /nfs/dbraw/zinc/98/61/85/326986185.db2.gz OEVPYOQPNMGJTP-UHFFFAOYSA-N 0 3 372.469 2.084 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)cc1Cl ZINC000170684469 327093945 /nfs/dbraw/zinc/09/39/45/327093945.db2.gz ONVMYXPEGLWWMM-OAHLLOKOSA-N 0 3 360.845 2.237 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2cncn2)c1 ZINC000172206120 327187096 /nfs/dbraw/zinc/18/70/96/327187096.db2.gz HQSHZGQBICJHSE-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN N#Cc1cccc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)n1 ZINC000265475945 329131005 /nfs/dbraw/zinc/13/10/05/329131005.db2.gz BBZCJYMKQCFNRQ-SFHVURJKSA-N 0 3 362.481 2.387 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)N(C)C ZINC000269098240 329485438 /nfs/dbraw/zinc/48/54/38/329485438.db2.gz MZHASGGLNVQLQL-ZDUSSCGKSA-N 0 3 350.850 2.243 20 30 FEEDHN N#Cc1cccc(C2(NC[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000273182440 329843658 /nfs/dbraw/zinc/84/36/58/329843658.db2.gz QHUHPGVKWLVVOB-MRXNPFEDSA-N 0 3 353.378 2.485 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000275049602 330005450 /nfs/dbraw/zinc/00/54/50/330005450.db2.gz ZZXYHZUTCOQYTO-GOSISDBHSA-N 0 3 351.454 2.399 20 30 FEEDHN Cc1occc1C(=O)NC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000156047310 545595293 /nfs/dbraw/zinc/59/52/93/545595293.db2.gz JUXGVUFSMJIYGW-LJQANCHMSA-N 0 3 353.422 2.388 20 30 FEEDHN C[C@H]1CN(CC2CCN(C(=O)CNc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000156704707 545649428 /nfs/dbraw/zinc/64/94/28/545649428.db2.gz OHZLXVHZPQVMKI-IRXDYDNUSA-N 0 3 370.497 2.318 20 30 FEEDHN O=C(NCCNCc1ccc(F)cc1C(F)(F)F)C1N=CC=CC1=O ZINC000156820589 545665855 /nfs/dbraw/zinc/66/58/55/545665855.db2.gz PZRFQNQYLPOCCD-CCEZHUSRSA-N 0 3 357.307 2.461 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)N3CCCC[C@@H]3C)cc2C1=O ZINC000478671308 561172386 /nfs/dbraw/zinc/17/23/86/561172386.db2.gz UMFFPFXLHYEHAM-LSDHHAIUSA-N 0 3 369.465 2.461 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000171711802 546220116 /nfs/dbraw/zinc/22/01/16/546220116.db2.gz RCFXGIIHLRRJPR-IBGZPJMESA-N 0 3 370.497 2.300 20 30 FEEDHN C=CCN1CCC(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000171726749 546221470 /nfs/dbraw/zinc/22/14/70/546221470.db2.gz AFAHUWSYXNSSRZ-UHFFFAOYSA-N 0 3 373.472 2.445 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000171722566 546222067 /nfs/dbraw/zinc/22/20/67/546222067.db2.gz XWUAZALSJMBHEJ-UHFFFAOYSA-N 0 3 363.414 2.382 20 30 FEEDHN C=CCN1CCC(NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000171723926 546222159 /nfs/dbraw/zinc/22/21/59/546222159.db2.gz BVRMTVVOSKZZJN-UHFFFAOYSA-N 0 3 361.511 2.367 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1 ZINC000171722019 546222214 /nfs/dbraw/zinc/22/22/14/546222214.db2.gz YNJMVEYZVCVUNQ-INIZCTEOSA-N 0 3 371.481 2.123 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000171738017 546223711 /nfs/dbraw/zinc/22/37/11/546223711.db2.gz JSURKLBPGFUUJX-UHFFFAOYSA-N 0 3 373.457 2.077 20 30 FEEDHN N#CCCn1ccc(NC(=O)NCCCN2CCc3ccccc3C2)n1 ZINC000173377650 546280531 /nfs/dbraw/zinc/28/05/31/546280531.db2.gz IZFHIWNGNDHVOA-UHFFFAOYSA-N 0 3 352.442 2.367 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)CC1 ZINC000174922576 546305267 /nfs/dbraw/zinc/30/52/67/546305267.db2.gz AQEQWLPMJBZPEH-RDTXWAMCSA-N 0 3 369.465 2.319 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)CC1 ZINC000177926735 546709228 /nfs/dbraw/zinc/70/92/28/546709228.db2.gz IUQRDNILSDFECR-UHFFFAOYSA-N 0 3 359.449 2.189 20 30 FEEDHN COCCCNC(=O)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000178302666 546771728 /nfs/dbraw/zinc/77/17/28/546771728.db2.gz VPJXVXCYWNVCLQ-UHFFFAOYSA-N 0 3 359.470 2.192 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000179044400 546890776 /nfs/dbraw/zinc/89/07/76/546890776.db2.gz GFOQRRJIQNJPQR-UHFFFAOYSA-N 0 3 370.453 2.051 20 30 FEEDHN C[C@@](C#N)(NC(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 ZINC000179744993 547006081 /nfs/dbraw/zinc/00/60/81/547006081.db2.gz ILKVFLDHSWJMRE-UXHICEINSA-N 0 3 355.438 2.307 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000180174440 547062711 /nfs/dbraw/zinc/06/27/11/547062711.db2.gz IYIBUQSGIWFPQX-UKRRQHHQSA-N 0 3 353.875 2.316 20 30 FEEDHN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)N(C)C ZINC000181822486 547386742 /nfs/dbraw/zinc/38/67/42/547386742.db2.gz CFIDYLHPNSLOJQ-WMLDXEAASA-N 0 3 374.485 2.399 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@]2(C)CCCOC2)cc1 ZINC000483561853 561279767 /nfs/dbraw/zinc/27/97/67/561279767.db2.gz MBIWJNNRHRHAGJ-MLGOLLRUSA-N 0 3 351.428 2.063 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC[C@@H]2CCCO2)cc1 ZINC000483623627 561280895 /nfs/dbraw/zinc/28/08/95/561280895.db2.gz PPCBOZOMDCOUBP-HIFRSBDPSA-N 0 3 365.455 2.405 20 30 FEEDHN C=C(C)COc1cc(CNC[C@@H]2CC[C@H](C(=O)N(C)C)O2)ccc1OC ZINC000182041185 547427122 /nfs/dbraw/zinc/42/71/22/547427122.db2.gz VKGRVEYKBFLFNH-FUHWJXTLSA-N 0 3 362.470 2.376 20 30 FEEDHN C=C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000483913039 561286643 /nfs/dbraw/zinc/28/66/43/561286643.db2.gz KLDFLQLNRHYWBL-INIZCTEOSA-N 0 3 358.486 2.155 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OCC(F)F)cc2)CC1 ZINC000483956272 561287850 /nfs/dbraw/zinc/28/78/50/561287850.db2.gz LSPGHUQIBQDRGK-UHFFFAOYSA-N 0 3 367.396 2.036 20 30 FEEDHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@@H](C)C#N)CC2)c1 ZINC000182564030 547514289 /nfs/dbraw/zinc/51/42/89/547514289.db2.gz ALERRLIBQXLQBP-SFHVURJKSA-N 0 3 357.502 2.356 20 30 FEEDHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@H](C)C#N)CC2)c1 ZINC000182564050 547514585 /nfs/dbraw/zinc/51/45/85/547514585.db2.gz ALERRLIBQXLQBP-GOSISDBHSA-N 0 3 357.502 2.356 20 30 FEEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCCCC2)CC1 ZINC000182623984 547523344 /nfs/dbraw/zinc/52/33/44/547523344.db2.gz HQPUUSUDJGPFCB-IBGZPJMESA-N 0 3 358.461 2.411 20 30 FEEDHN C#CCOc1ccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 ZINC000183436852 547658759 /nfs/dbraw/zinc/65/87/59/547658759.db2.gz RANWXQMAGHOUGT-HXUWFJFHSA-N 0 3 364.445 2.195 20 30 FEEDHN C#CCOc1ccc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 ZINC000183436830 547658892 /nfs/dbraw/zinc/65/88/92/547658892.db2.gz RANWXQMAGHOUGT-FQEVSTJZSA-N 0 3 364.445 2.195 20 30 FEEDHN CCN(CCO)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000184002640 547752113 /nfs/dbraw/zinc/75/21/13/547752113.db2.gz BHJLUTDNNFWLSP-UHFFFAOYSA-N 0 3 353.422 2.395 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000184606561 547853536 /nfs/dbraw/zinc/85/35/36/547853536.db2.gz OJIAMKVAYJKDBQ-INIZCTEOSA-N 0 3 358.442 2.285 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000185262256 547961651 /nfs/dbraw/zinc/96/16/51/547961651.db2.gz SUTRKNSCDYIEBA-LBPRGKRZSA-N 0 3 367.858 2.131 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000185610551 548009201 /nfs/dbraw/zinc/00/92/01/548009201.db2.gz UVWKMQVIOIWQGA-INIZCTEOSA-N 0 3 363.483 2.206 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000186654876 548167611 /nfs/dbraw/zinc/16/76/11/548167611.db2.gz YXROBFCTHLBYOP-OAHLLOKOSA-N 0 3 372.469 2.276 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](O)Cc1ccccc1 ZINC000486068513 561337313 /nfs/dbraw/zinc/33/73/13/561337313.db2.gz YINRGJSEGIGFAS-OAQYLSRUSA-N 0 3 365.477 2.442 20 30 FEEDHN C=CCCCN(C)C(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000187178293 548251890 /nfs/dbraw/zinc/25/18/90/548251890.db2.gz AFHRBSDWDSNZNB-UHFFFAOYSA-N 0 3 358.486 2.192 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000187152398 548252058 /nfs/dbraw/zinc/25/20/58/548252058.db2.gz YTSGWENWEXHWBP-NRFANRHFSA-N 0 3 359.514 2.279 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2-c2nc(C)cc(C)n2)CC1 ZINC000190395952 548324028 /nfs/dbraw/zinc/32/40/28/548324028.db2.gz XMIUXFSUZCAVJG-UHFFFAOYSA-N 0 3 369.473 2.441 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)cc(C)n1)C(C)C ZINC000192936337 548377096 /nfs/dbraw/zinc/37/70/96/548377096.db2.gz RJCCNZGYUROROT-KRWDZBQOSA-N 0 3 358.486 2.452 20 30 FEEDHN CN1CCN(CCCNC(=O)N2CCC(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000195327188 548624466 /nfs/dbraw/zinc/62/44/66/548624466.db2.gz DOMALSJYAYXFFN-FQEVSTJZSA-N 0 3 369.513 2.310 20 30 FEEDHN COCCN(C)CCCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487964129 561380109 /nfs/dbraw/zinc/38/01/09/561380109.db2.gz AISWHHSAVWETHK-UHFFFAOYSA-N 0 3 369.263 2.411 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000245782129 548993470 /nfs/dbraw/zinc/99/34/70/548993470.db2.gz HSCWXMLREMIGKS-PXNSSMCTSA-N 0 3 373.522 2.281 20 30 FEEDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000246484074 549142634 /nfs/dbraw/zinc/14/26/34/549142634.db2.gz BANWSNUAZPTAGN-SWLSCSKDSA-N 0 3 353.875 2.316 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000488717448 561395236 /nfs/dbraw/zinc/39/52/36/561395236.db2.gz SNLWORLLFUPFTB-UHFFFAOYSA-N 0 3 368.397 2.329 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000247697900 549373162 /nfs/dbraw/zinc/37/31/62/549373162.db2.gz XBMMVZVTFVNCRE-IIAWOOMASA-N 0 3 356.470 2.288 20 30 FEEDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000248544744 549454985 /nfs/dbraw/zinc/45/49/85/549454985.db2.gz IYIBUQSGIWFPQX-DZGCQCFKSA-N 0 3 353.875 2.316 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000248796533 549503742 /nfs/dbraw/zinc/50/37/42/549503742.db2.gz JFRITXXWOXUQRN-DOTOQJQBSA-N 0 3 352.442 2.439 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)cc1F ZINC000489551525 561414033 /nfs/dbraw/zinc/41/40/33/561414033.db2.gz PFSUGEIELBFILF-OAHLLOKOSA-N 0 3 351.447 2.240 20 30 FEEDHN COC[C@@H](Cc1ccccc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000249148439 549560309 /nfs/dbraw/zinc/56/03/09/549560309.db2.gz XFSKWVRVFJUTDK-WOJBJXKFSA-N 0 3 354.450 2.487 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC)c(OC)c2OC)CC1 ZINC000264364873 549994480 /nfs/dbraw/zinc/99/44/80/549994480.db2.gz FNSXLZDPWXHPLP-UHFFFAOYSA-N 0 3 363.458 2.162 20 30 FEEDHN C#CCN1CCC(C(=O)N(Cc2ccncc2)C[C@H]2CCCN2CC)CC1 ZINC000264564880 549997902 /nfs/dbraw/zinc/99/79/02/549997902.db2.gz RFEJNPKVPNCIEM-OAQYLSRUSA-N 0 3 368.525 2.240 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCN(C3CCC3)CC2)c(OC)c1 ZINC000264947918 550004283 /nfs/dbraw/zinc/00/42/83/550004283.db2.gz AKAIHNDPJNEASQ-IBGZPJMESA-N 0 3 360.498 2.334 20 30 FEEDHN C=C(Cl)CNC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000265799531 550014144 /nfs/dbraw/zinc/01/41/44/550014144.db2.gz NBSXAZYOIXRIBS-UHFFFAOYSA-N 0 3 366.893 2.211 20 30 FEEDHN N#CCOc1cccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000265870076 550014801 /nfs/dbraw/zinc/01/48/01/550014801.db2.gz YOVPFZRUPAJVLK-UHFFFAOYSA-N 0 3 370.453 2.004 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCSc1n[nH]c(C)n1)C(C)C ZINC000266820316 550024612 /nfs/dbraw/zinc/02/46/12/550024612.db2.gz ICFAZEDRJUZZHJ-OAHLLOKOSA-N 0 3 351.520 2.410 20 30 FEEDHN COc1ccc(C(=O)CCC(=O)N(CCC#N)CCCN(C)C)cc1F ZINC000267624815 550033381 /nfs/dbraw/zinc/03/33/81/550033381.db2.gz VFLXEODXRVYQLF-UHFFFAOYSA-N 0 3 363.433 2.491 20 30 FEEDHN N#CCSCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000267851328 550035201 /nfs/dbraw/zinc/03/52/01/550035201.db2.gz BXGRMLCYYITOSS-UHFFFAOYSA-N 0 3 351.447 2.042 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269130733 550158742 /nfs/dbraw/zinc/15/87/42/550158742.db2.gz VHMBNTDUKORLEE-UHFFFAOYSA-N 0 3 360.845 2.307 20 30 FEEDHN N#Cc1csc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000270584432 550286349 /nfs/dbraw/zinc/28/63/49/550286349.db2.gz DFJXEJGOYLMXBI-SJORKVTESA-N 0 3 355.463 2.233 20 30 FEEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1cnccn1 ZINC000271343140 550366839 /nfs/dbraw/zinc/36/68/39/550366839.db2.gz NOKKXOCDVCWYKH-UHFFFAOYSA-N 0 3 355.467 2.402 20 30 FEEDHN CC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(OC)c(OC)c1 ZINC000271479722 550378332 /nfs/dbraw/zinc/37/83/32/550378332.db2.gz NFMFDXBJHDNEER-JGWKNBOWSA-N 0 3 359.426 2.271 20 30 FEEDHN CCN1CCN([C@@H](C)CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494328751 561467394 /nfs/dbraw/zinc/46/73/94/561467394.db2.gz VYFFDCVTNVXDTM-FXAWDEMLSA-N 0 3 372.513 2.104 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000272173399 550426876 /nfs/dbraw/zinc/42/68/76/550426876.db2.gz JZYXPWWVNCGKFO-GFCCVEGCSA-N 0 3 362.861 2.339 20 30 FEEDHN COc1cc(/C=C/C(=O)N2CC[C@H]3CCN(C)C[C@H]32)ccc1OCC#N ZINC000272578290 550459013 /nfs/dbraw/zinc/45/90/13/550459013.db2.gz WAHMMYQRICCEHN-TZNLOLHFSA-N 0 3 355.438 2.163 20 30 FEEDHN C[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1=CCN(C)CC1 ZINC000272850724 550473612 /nfs/dbraw/zinc/47/36/12/550473612.db2.gz HHXLKNBLZQCDSE-OAHLLOKOSA-N 0 3 371.460 2.179 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000494487313 561470624 /nfs/dbraw/zinc/47/06/24/561470624.db2.gz QLAUWXMQQDDHBS-IEBWSBKVSA-N 0 3 374.485 2.109 20 30 FEEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCC2 ZINC000273738071 550509888 /nfs/dbraw/zinc/50/98/88/550509888.db2.gz LKLXJDXDVVFAFX-HNNXBMFYSA-N 0 3 350.470 2.411 20 30 FEEDHN N#Cc1ncccc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000277013332 550621835 /nfs/dbraw/zinc/62/18/35/550621835.db2.gz LXUWOHBMTIPVBS-UHFFFAOYSA-N 0 3 370.478 2.144 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277967955 550733943 /nfs/dbraw/zinc/73/39/43/550733943.db2.gz PXKAVIFLRXCAOS-INIZCTEOSA-N 0 3 356.470 2.341 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277967955 550733945 /nfs/dbraw/zinc/73/39/45/550733945.db2.gz PXKAVIFLRXCAOS-INIZCTEOSA-N 0 3 356.470 2.341 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278120076 550751588 /nfs/dbraw/zinc/75/15/88/550751588.db2.gz LMCBJDZGBPNIJF-UHFFFAOYSA-N 0 3 372.429 2.311 20 30 FEEDHN CC[C@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278395796 550780707 /nfs/dbraw/zinc/78/07/07/550780707.db2.gz FDAQXAXCXYJCLT-MSOLQXFVSA-N 0 3 365.499 2.087 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[C@H]2O)cc1 ZINC000278567791 550799934 /nfs/dbraw/zinc/79/99/34/550799934.db2.gz IXJYWJSMBLSFCI-DVOMOZLQSA-N 0 3 365.455 2.045 20 30 FEEDHN COCCCN1CCC(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279173757 550861834 /nfs/dbraw/zinc/86/18/34/550861834.db2.gz HENXLPMBKAJYQX-UHFFFAOYSA-N 0 3 368.437 2.444 20 30 FEEDHN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280174755 550968076 /nfs/dbraw/zinc/96/80/76/550968076.db2.gz COCBYFRPSDJTLH-IAGOWNOFSA-N 0 3 353.422 2.431 20 30 FEEDHN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280265271 550975377 /nfs/dbraw/zinc/97/53/77/550975377.db2.gz CRHIMPYMZIPRTF-IAGOWNOFSA-N 0 3 368.437 2.366 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccn(C(C)C)n1)C(C)C ZINC000280738413 551026892 /nfs/dbraw/zinc/02/68/92/551026892.db2.gz MADISKQFFHXJCR-INIZCTEOSA-N 0 3 361.490 2.217 20 30 FEEDHN Cc1csc(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n1 ZINC000280753686 551028593 /nfs/dbraw/zinc/02/85/93/551028593.db2.gz IDEKGVLBHRZFFC-QGZVFWFLSA-N 0 3 365.462 2.354 20 30 FEEDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCCC1(C#N)CCOCC1 ZINC000282075250 551177100 /nfs/dbraw/zinc/17/71/00/551177100.db2.gz TYXGORMYXHLAIU-OAHLLOKOSA-N 0 3 365.499 2.427 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CCC(=O)Nc2ccc(C#N)cc2)O1 ZINC000282365745 551217990 /nfs/dbraw/zinc/21/79/90/551217990.db2.gz DOKSQKNTHITYQR-LIRZEXBASA-N 0 3 371.437 2.070 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000283448155 551367689 /nfs/dbraw/zinc/36/76/89/551367689.db2.gz KGBNQRRKNHRLIG-AWEZNQCLSA-N 0 3 355.438 2.377 20 30 FEEDHN CN1CC[C@@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000284459106 551553551 /nfs/dbraw/zinc/55/35/51/551553551.db2.gz AHKHPRQSWIXUIP-UXHICEINSA-N 0 3 365.481 2.369 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000284900343 551662480 /nfs/dbraw/zinc/66/24/80/551662480.db2.gz SZAIPFKBNIHKBZ-VXXKDZQQSA-N 0 3 357.454 2.137 20 30 FEEDHN N#Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1F ZINC000285875887 551822166 /nfs/dbraw/zinc/82/21/66/551822166.db2.gz WFOPZXWGQNGXSQ-UYAOXDASSA-N 0 3 367.424 2.310 20 30 FEEDHN N#Cc1c(N2CCN(CC3CCOCC3)CC2)nc2cc(Cl)ccn12 ZINC000286039274 551841725 /nfs/dbraw/zinc/84/17/25/551841725.db2.gz BLXDWQFFCVWJHA-UHFFFAOYSA-N 0 3 359.861 2.408 20 30 FEEDHN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000286057063 551843828 /nfs/dbraw/zinc/84/38/28/551843828.db2.gz RIWXPJDKRUTFKT-JXFKEZNVSA-N 0 3 365.481 2.254 20 30 FEEDHN CC(C)N1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000286229771 551863462 /nfs/dbraw/zinc/86/34/62/551863462.db2.gz UCJBLFYWKQQDOX-QGZVFWFLSA-N 0 3 358.461 2.466 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCC[C@H](C)c2ccc(OC)cc2)CC1 ZINC000286414838 551884550 /nfs/dbraw/zinc/88/45/50/551884550.db2.gz FMUVEGMJVLIPHS-INIZCTEOSA-N 0 3 373.497 2.072 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000286468594 551889201 /nfs/dbraw/zinc/88/92/01/551889201.db2.gz ILXJIGCNUPVIMX-MJGOQNOKSA-N 0 3 369.509 2.233 20 30 FEEDHN CNC(=O)CC[C@H]1CCCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000286471924 551889994 /nfs/dbraw/zinc/88/99/94/551889994.db2.gz NTBXMSMHOUAZQA-MJGOQNOKSA-N 0 3 368.481 2.434 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000286541182 551897664 /nfs/dbraw/zinc/89/76/64/551897664.db2.gz CDJHOUVCCCTIJY-WFASDCNBSA-N 0 3 353.875 2.459 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCc3cccc(C)c3C2)CC1 ZINC000286611352 551906004 /nfs/dbraw/zinc/90/60/04/551906004.db2.gz LIIYATVELDLCRE-UHFFFAOYSA-N 0 3 355.482 2.036 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000286737963 551920804 /nfs/dbraw/zinc/92/08/04/551920804.db2.gz RZYNISRMEWAOLX-RDJZCZTQSA-N 0 3 373.472 2.297 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000286761255 551923167 /nfs/dbraw/zinc/92/31/67/551923167.db2.gz UEGMAXFMZKESED-GOSISDBHSA-N 0 3 359.445 2.256 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(C)c2)CC1 ZINC000286803052 551927589 /nfs/dbraw/zinc/92/75/89/551927589.db2.gz VBJNJYVKVCXWKV-LJQANCHMSA-N 0 3 355.482 2.425 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCO[C@H](C)C2)cc1 ZINC000286992687 551949250 /nfs/dbraw/zinc/94/92/50/551949250.db2.gz CQIZBTMTEGSFNM-RDBSUJKOSA-N 0 3 365.455 2.309 20 30 FEEDHN CCN1CCN([C@@H]2CCN(c3nc4cc(Cl)ccn4c3C#N)C2)CC1 ZINC000287436457 552003845 /nfs/dbraw/zinc/00/38/45/552003845.db2.gz QWQIQGFJFJPTHF-OAHLLOKOSA-N 0 3 358.877 2.076 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287503160 552012723 /nfs/dbraw/zinc/01/27/23/552012723.db2.gz UPQDNANVOCIGPH-XUWXXGDYSA-N 0 3 356.445 2.123 20 30 FEEDHN CC[C@@H](CNC(=O)Cc1noc(C)c1C#N)N1CCc2ccccc2C1 ZINC000499542693 561553290 /nfs/dbraw/zinc/55/32/90/561553290.db2.gz VPBMHLLKAMXBNB-KRWDZBQOSA-N 0 3 352.438 2.350 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000288228116 552114941 /nfs/dbraw/zinc/11/49/41/552114941.db2.gz UXNXJIHCDYZTPT-BZUAXINKSA-N 0 3 370.453 2.001 20 30 FEEDHN C=CCCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000288561928 552175523 /nfs/dbraw/zinc/17/55/23/552175523.db2.gz JXUCNJSNOVHHGS-GOSISDBHSA-N 0 3 357.498 2.486 20 30 FEEDHN CN1CCCN(c2ccc(-c3noc(-c4ccnc(C#N)c4)n3)cn2)CC1 ZINC000288993113 552249053 /nfs/dbraw/zinc/24/90/53/552249053.db2.gz SPDDKQXKPLNQRU-UHFFFAOYSA-N 0 3 361.409 2.207 20 30 FEEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289020377 552253718 /nfs/dbraw/zinc/25/37/18/552253718.db2.gz MMPRMCURUWFIRC-UHFFFAOYSA-N 0 3 362.861 2.485 20 30 FEEDHN N#Cc1cncc(S(=O)(=O)NCc2ccccc2CN2CCCC2)c1 ZINC000289928514 552401402 /nfs/dbraw/zinc/40/14/02/552401402.db2.gz USYGXHVMSGQRPN-UHFFFAOYSA-N 0 3 356.451 2.028 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000290146757 552434864 /nfs/dbraw/zinc/43/48/64/552434864.db2.gz NFDYJSNDNWLKRE-PBHICJAKSA-N 0 3 357.454 2.071 20 30 FEEDHN COc1cc(-c2noc(C3(C#N)CCOCC3)n2)ccc1OCCN(C)C ZINC000290173790 552438307 /nfs/dbraw/zinc/43/83/07/552438307.db2.gz RRPWBGCYDYWANK-UHFFFAOYSA-N 0 3 372.425 2.257 20 30 FEEDHN N#CCCn1cc(CNC[C@@H]2CCCS(=O)(=O)C2)c(-c2ccccc2)n1 ZINC000290230339 552445729 /nfs/dbraw/zinc/44/57/29/552445729.db2.gz YGEUZASNWCHQEW-INIZCTEOSA-N 0 3 372.494 2.378 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000500796249 561582695 /nfs/dbraw/zinc/58/26/95/561582695.db2.gz QHXZCHFPXMTTBY-INIZCTEOSA-N 0 3 352.438 2.311 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 ZINC000291090661 552585641 /nfs/dbraw/zinc/58/56/41/552585641.db2.gz XLPAZOFQXZNCJG-INIZCTEOSA-N 0 3 368.481 2.129 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 ZINC000291090663 552585682 /nfs/dbraw/zinc/58/56/82/552585682.db2.gz XLPAZOFQXZNCJG-MRXNPFEDSA-N 0 3 368.481 2.129 20 30 FEEDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000292052313 552688622 /nfs/dbraw/zinc/68/86/22/552688622.db2.gz NSIAGKOOMJIKHR-OAHLLOKOSA-N 0 3 373.400 2.293 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292117295 552695372 /nfs/dbraw/zinc/69/53/72/552695372.db2.gz GHGYSSPWLDCGDY-HXUWFJFHSA-N 0 3 357.454 2.280 20 30 FEEDHN Cc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)nc(N2CCCC2)n1 ZINC000292542166 552736629 /nfs/dbraw/zinc/73/66/29/552736629.db2.gz LOLHBKJKHSSBTR-GOSISDBHSA-N 0 3 374.448 2.256 20 30 FEEDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)C1 ZINC000292715821 552752190 /nfs/dbraw/zinc/75/21/90/552752190.db2.gz FKZZUCHAIMGDNO-MRXNPFEDSA-N 0 3 353.875 2.318 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC000293086059 552787478 /nfs/dbraw/zinc/78/74/78/552787478.db2.gz QUKBJEGSSKLPOG-QGZVFWFLSA-N 0 3 365.437 2.091 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1C#N ZINC000293335261 552812713 /nfs/dbraw/zinc/81/27/13/552812713.db2.gz DHQBRRUTFKNSQX-CQSZACIVSA-N 0 3 354.454 2.138 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000293924917 552868574 /nfs/dbraw/zinc/86/85/74/552868574.db2.gz HGDPUJNIMNFCHF-UHFFFAOYSA-N 0 3 372.194 2.181 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000294009477 552875030 /nfs/dbraw/zinc/87/50/30/552875030.db2.gz PPDMSSLQOHWHGE-UHFFFAOYSA-N 0 3 354.204 2.042 20 30 FEEDHN C#CCNC(=O)CCNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000294353791 552899536 /nfs/dbraw/zinc/89/95/36/552899536.db2.gz ZOXHYDDSTJSDLJ-UHFFFAOYSA-N 0 3 354.372 2.440 20 30 FEEDHN C[C@H](N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)O ZINC000295123360 552960994 /nfs/dbraw/zinc/96/09/94/552960994.db2.gz JBDWKAWPFGWWBC-ZDUSSCGKSA-N 0 3 356.388 2.264 20 30 FEEDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000296040923 553094417 /nfs/dbraw/zinc/09/44/17/553094417.db2.gz SQRQEDLETJZDLH-CQSZACIVSA-N 0 3 353.463 2.381 20 30 FEEDHN COc1cc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1C#N ZINC000296597753 553185199 /nfs/dbraw/zinc/18/51/99/553185199.db2.gz RCXNJCBZJPGCOE-INIZCTEOSA-N 0 3 361.442 2.292 20 30 FEEDHN C=CCC(CC=C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN(C)C ZINC000298669125 553456538 /nfs/dbraw/zinc/45/65/38/553456538.db2.gz XJASNGOYUJZBMT-FQEVSTJZSA-N 0 3 369.509 2.386 20 30 FEEDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000298803766 553474988 /nfs/dbraw/zinc/47/49/88/553474988.db2.gz OXZRCIOYFGQCRC-LBPRGKRZSA-N 0 3 361.467 2.322 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000299152547 553522448 /nfs/dbraw/zinc/52/24/48/553522448.db2.gz MZUXTMVFCYGFKR-UHFFFAOYSA-N 0 3 357.473 2.205 20 30 FEEDHN N#CC1(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)CCCC1 ZINC000299646368 553595210 /nfs/dbraw/zinc/59/52/10/553595210.db2.gz UKCNNSVNVDGTGW-MRXNPFEDSA-N 0 3 354.454 2.406 20 30 FEEDHN N#Cc1cc(N[C@@H]2CCCN(CCN3CCOCC3)C2)nc2ccccc12 ZINC000603422795 553784644 /nfs/dbraw/zinc/78/46/44/553784644.db2.gz JAZFHJIBBIXVHM-GOSISDBHSA-N 0 3 365.481 2.315 20 30 FEEDHN CN(CCCNCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000327012524 553785139 /nfs/dbraw/zinc/78/51/39/553785139.db2.gz FRWSBWUQYUPGCB-UHFFFAOYSA-N 0 3 357.479 2.448 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000328609471 553795845 /nfs/dbraw/zinc/79/58/45/553795845.db2.gz MTZYILOXVBPPTO-BQFCYCMXSA-N 0 3 351.491 2.067 20 30 FEEDHN Cc1ccc([C@H](CNC(=O)N2CC(=O)N(C)[C@H](C)C2)N2CCCC2)cc1 ZINC000328717853 553811594 /nfs/dbraw/zinc/81/15/94/553811594.db2.gz PMZKPDGSWUXZNR-AEFFLSMTSA-N 0 3 358.486 2.208 20 30 FEEDHN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC000328722232 553812755 /nfs/dbraw/zinc/81/27/55/553812755.db2.gz XJTUVRBXCOPOTQ-CGTJXYLNSA-N 0 3 366.502 2.154 20 30 FEEDHN Cc1cc([C@@H]2CCCN(C(=O)NC[C@@]3(N(C)C)CCSC3)C2)[nH]n1 ZINC000328758904 553817588 /nfs/dbraw/zinc/81/75/88/553817588.db2.gz WAPKNPYUZWUALY-PBHICJAKSA-N 0 3 351.520 2.249 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCCC12CCOCC2 ZINC000328819713 553827243 /nfs/dbraw/zinc/82/72/43/553827243.db2.gz ONUIGLUXKVHRPK-AEFFLSMTSA-N 0 3 365.518 2.435 20 30 FEEDHN CC(C)N(CCN(C)CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000505905898 561684917 /nfs/dbraw/zinc/68/49/17/561684917.db2.gz JMQURPINPLPKDO-UHFFFAOYSA-N 0 3 351.516 2.383 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000328957775 553852770 /nfs/dbraw/zinc/85/27/70/553852770.db2.gz JMAPFUDONNBJIL-WIRSXHRWSA-N 0 3 374.481 2.199 20 30 FEEDHN CCN1CCC(NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)CC1 ZINC000328962810 553854545 /nfs/dbraw/zinc/85/45/45/553854545.db2.gz LEHHKNVIKVWELY-UHFFFAOYSA-N 0 3 350.507 2.252 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CCCN2CCOCC2)CC1 ZINC000506033124 561687829 /nfs/dbraw/zinc/68/78/29/561687829.db2.gz VGHHXHIENGZRNV-IBGZPJMESA-N 0 3 363.546 2.400 20 30 FEEDHN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC1CCN(CC2CCCC2)CC1 ZINC000328995632 553861686 /nfs/dbraw/zinc/86/16/86/553861686.db2.gz FINZFATYOYYAJW-IYPVNNRCSA-N 0 3 355.548 2.396 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329030256 553867740 /nfs/dbraw/zinc/86/77/40/553867740.db2.gz WWJZVIMRVYFCNA-FKEXNYPISA-N 0 3 373.501 2.444 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3C(C)(C)C)CC2)o1 ZINC000329111928 553882575 /nfs/dbraw/zinc/88/25/75/553882575.db2.gz RDDOPQRTFKDAGB-MRXNPFEDSA-N 0 3 359.474 2.014 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329173605 553895839 /nfs/dbraw/zinc/89/58/39/553895839.db2.gz LNXISDISUJZRJS-INMHGKMJSA-N 0 3 350.507 2.106 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@@]3(CCN(C)C3)C2)C1 ZINC000329205110 553902222 /nfs/dbraw/zinc/90/22/22/553902222.db2.gz DGUYKRJKXXHXSA-YLJYHZDGSA-N 0 3 364.534 2.213 20 30 FEEDHN Cc1nccn1C[C@H](C)C[NH+]=C([O-])N1CCC(C(=O)N2CCCC2)CC1 ZINC000329299116 553920475 /nfs/dbraw/zinc/92/04/75/553920475.db2.gz URPVXBAISJIYLQ-OAHLLOKOSA-N 0 3 361.490 2.076 20 30 FEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@H](c2ccccc2)[C@H]2CCOC2)C1 ZINC000329395761 553938585 /nfs/dbraw/zinc/93/85/85/553938585.db2.gz UDVFQQBMNRGPKG-NLWGTHIKSA-N 0 3 359.470 2.321 20 30 FEEDHN Cc1nc([C@H]2CCCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000329427961 553944247 /nfs/dbraw/zinc/94/42/47/553944247.db2.gz JKFHRPQIKCKKPM-FUHWJXTLSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1n[nH]c([C@H]2CCCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000329427961 553944253 /nfs/dbraw/zinc/94/42/53/553944253.db2.gz JKFHRPQIKCKKPM-FUHWJXTLSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1nnc([C@H]2CCCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427961 553944256 /nfs/dbraw/zinc/94/42/56/553944256.db2.gz JKFHRPQIKCKKPM-FUHWJXTLSA-N 0 3 364.453 2.360 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329459386 553950631 /nfs/dbraw/zinc/95/06/31/553950631.db2.gz RKMVYIRWTFVWFQ-VDHUWJSZSA-N 0 3 356.470 2.472 20 30 FEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000329466334 553951729 /nfs/dbraw/zinc/95/17/29/553951729.db2.gz RXRLQPJTJQXZAA-OLZOCXBDSA-N 0 3 362.861 2.186 20 30 FEEDHN CC(C)N1C[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1=O ZINC000329543527 553964980 /nfs/dbraw/zinc/96/49/80/553964980.db2.gz YIWYUHTTYFBLJC-CABCVRRESA-N 0 3 364.515 2.398 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)[C@@]12CCCO2 ZINC000329606794 553975692 /nfs/dbraw/zinc/97/56/92/553975692.db2.gz ZZEGAYNQUVDCAN-RDHIYWLCSA-N 0 3 351.491 2.043 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000329624615 553978960 /nfs/dbraw/zinc/97/89/60/553978960.db2.gz OGRBUZVMNBWEAG-ZBFHGGJFSA-N 0 3 356.474 2.880 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000329764225 554001754 /nfs/dbraw/zinc/00/17/54/554001754.db2.gz VMFRBSYPDBEGLB-QGZVFWFLSA-N 0 3 371.485 2.051 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000329791666 554006945 /nfs/dbraw/zinc/00/69/45/554006945.db2.gz DWYQBYLQMWJAKO-XHSDSOJGSA-N 0 3 374.460 2.404 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000329815278 554010719 /nfs/dbraw/zinc/01/07/19/554010719.db2.gz NVWZFPPUJUTTSL-OAHLLOKOSA-N 0 3 374.460 2.405 20 30 FEEDHN CC[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)C1CCOCC1 ZINC000329948599 554037222 /nfs/dbraw/zinc/03/72/22/554037222.db2.gz KVSSVPAEPQTDOD-SFHVURJKSA-N 0 3 353.507 2.150 20 30 FEEDHN CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000329974017 554042124 /nfs/dbraw/zinc/04/21/24/554042124.db2.gz YXKOQCZHPGFLSJ-GOEBONIOSA-N 0 3 357.520 2.022 20 30 FEEDHN Cc1cc2ncc(C(=O)NC(C)(C)CCN3CCN(C)CC3)c(C)n2n1 ZINC000329996686 554046168 /nfs/dbraw/zinc/04/61/68/554046168.db2.gz PGOJUAOQJMDCHF-UHFFFAOYSA-N 0 3 358.490 2.067 20 30 FEEDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@H](N(C)C)C2)cn1 ZINC000330126571 554069491 /nfs/dbraw/zinc/06/94/91/554069491.db2.gz CBEBLJPKYNLDCB-UXLLHSPISA-N 0 3 362.478 2.003 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3C[C@H]4CCCN4C[C@@H]3CC)cc2C1=O ZINC000330238676 554091091 /nfs/dbraw/zinc/09/10/91/554091091.db2.gz ZYZAQOPHIGUDJT-JKSUJKDBSA-N 0 3 367.449 2.167 20 30 FEEDHN CCc1nc(C)c(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)o1 ZINC000330273590 554096922 /nfs/dbraw/zinc/09/69/22/554096922.db2.gz ZKYKJASDUXZDEO-CYBMUJFWSA-N 0 3 350.463 2.145 20 30 FEEDHN CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C3CC3)cn2)CC1 ZINC000330270959 554097269 /nfs/dbraw/zinc/09/72/69/554097269.db2.gz VBZYKQAWJICHOW-GOSISDBHSA-N 0 3 357.502 2.307 20 30 FEEDHN O=C(N[C@@H]1CCn2ccnc2C1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000330277358 554098343 /nfs/dbraw/zinc/09/83/43/554098343.db2.gz OCFNSGNCXDNWRS-UONOGXRCSA-N 0 3 356.430 2.252 20 30 FEEDHN Cc1c([C@@H]2[C@H](C(=O)NCCN3CCCC[C@H]3C)CC(=O)N2C)cnn1C ZINC000330289043 554100067 /nfs/dbraw/zinc/10/00/67/554100067.db2.gz DNLVAHLYYVKACX-SIIHOXLZSA-N 0 3 361.490 2.079 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000330311446 554103732 /nfs/dbraw/zinc/10/37/32/554103732.db2.gz VSSLBKKEFPKHKO-AYOQOUSVSA-N 0 3 359.470 2.273 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000330321225 554105032 /nfs/dbraw/zinc/10/50/32/554105032.db2.gz FTJMZKANFRISTG-LISAXSMJSA-N 0 3 353.507 2.147 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)c2ncccc2Br)CC1 ZINC000331063725 554207812 /nfs/dbraw/zinc/20/78/12/554207812.db2.gz OZKQBTOGZZOKPQ-GFCCVEGCSA-N 0 3 356.264 2.242 20 30 FEEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000508770356 561772351 /nfs/dbraw/zinc/77/23/51/561772351.db2.gz OBBBIDLSHJSTAG-APWZRJJASA-N 0 3 358.486 2.447 20 30 FEEDHN CCN(CC)[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)Cc1ccccc1 ZINC000509420936 561798776 /nfs/dbraw/zinc/79/87/76/561798776.db2.gz YSURTONXBIHKAG-SJLPKXTDSA-N 0 3 366.531 2.008 20 30 FEEDHN Cc1cc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1C#N ZINC000332100297 554380485 /nfs/dbraw/zinc/38/04/85/554380485.db2.gz DWSWPABYGYBWAH-IYBDPMFKSA-N 0 3 356.470 2.223 20 30 FEEDHN CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000509828063 561815447 /nfs/dbraw/zinc/81/54/47/561815447.db2.gz RQIKXGSOKGSLRH-UHFFFAOYSA-N 0 3 372.469 2.230 20 30 FEEDHN C[C@H]1NCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H]1C ZINC000333822684 554646848 /nfs/dbraw/zinc/64/68/48/554646848.db2.gz RLIMUJAVNNIJKS-QBBMROGASA-N 0 3 357.458 2.035 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CCN2CCOCC2)CC1 ZINC000360588295 554881127 /nfs/dbraw/zinc/88/11/27/554881127.db2.gz MPYDGHBUYKVKIT-QGZVFWFLSA-N 0 3 370.497 2.320 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@]2(NC(C)=O)CCCc3ccccc32)CC1 ZINC000362375142 554966960 /nfs/dbraw/zinc/96/69/60/554966960.db2.gz AWNBMGXWRIDLGN-NRFANRHFSA-N 0 3 355.482 2.121 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000362776209 554987818 /nfs/dbraw/zinc/98/78/18/554987818.db2.gz TYBXMUYGDHOTDU-SFHVURJKSA-N 0 3 354.454 2.364 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCCC[C@H]1C(=O)N1CCCC1 ZINC000362942900 555001346 /nfs/dbraw/zinc/00/13/46/555001346.db2.gz QZARNHWANKFXGA-SFHVURJKSA-N 0 3 354.454 2.364 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CCN(C)C[C@@H]3C)C2)n1 ZINC000363114222 555033546 /nfs/dbraw/zinc/03/35/46/555033546.db2.gz PFBMREZESMNUGS-SNRMKQJTSA-N 0 3 369.513 2.277 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C3CCN(C)CC3)C2)n1 ZINC000363300284 555074040 /nfs/dbraw/zinc/07/40/40/555074040.db2.gz ZMCXWRGYSKUXAO-QGZVFWFLSA-N 0 3 355.486 2.031 20 30 FEEDHN N#CCOc1ccccc1C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000363369880 555087543 /nfs/dbraw/zinc/08/75/43/555087543.db2.gz WCBMLIKWRORUAX-UHFFFAOYSA-N 0 3 364.449 2.421 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2COc3c(cccc3OCC)C2)CC1 ZINC000363418888 555100983 /nfs/dbraw/zinc/10/09/83/555100983.db2.gz RSKUQECRMVFYJZ-QGZVFWFLSA-N 0 3 356.466 2.240 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCCC[C@@H]1CN1CCCC1=O ZINC000363524933 555128019 /nfs/dbraw/zinc/12/80/19/555128019.db2.gz JGZKORXTNPEBRB-QGZVFWFLSA-N 0 3 354.454 2.364 20 30 FEEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2c(cnn2C)c1[O-])C(C)C ZINC000512109279 561892573 /nfs/dbraw/zinc/89/25/73/561892573.db2.gz IVNDSOLDKUWRKF-MRXNPFEDSA-N 0 3 357.458 2.102 20 30 FEEDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCN1C ZINC000363716436 555170798 /nfs/dbraw/zinc/17/07/98/555170798.db2.gz RPILFCVJTAAFNF-ZFWWWQNUSA-N 0 3 370.432 2.829 20 30 FEEDHN CN1CCN(CCC2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000364459313 555317849 /nfs/dbraw/zinc/31/78/49/555317849.db2.gz AEPPQKSETLIUKA-UHFFFAOYSA-N 0 3 358.461 2.187 20 30 FEEDHN FC(F)OC[C@@H]1CCN(CC#CCN2CC[C@@H](COC(F)F)C2)C1 ZINC000512838131 561917359 /nfs/dbraw/zinc/91/73/59/561917359.db2.gz BKYSENXZCUCVKO-ZIAGYGMSSA-N 0 3 352.372 2.112 20 30 FEEDHN CN(C1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000365120122 555490078 /nfs/dbraw/zinc/49/00/78/555490078.db2.gz IZNNIPLTYBCOHG-UHFFFAOYSA-N 0 3 356.451 2.243 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000365222031 555515165 /nfs/dbraw/zinc/51/51/65/555515165.db2.gz JQICTYHTJAYSKC-JKSUJKDBSA-N 0 3 364.490 2.080 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@]2(N(C)C)CCOc3ccccc32)CC1 ZINC000365529051 555600091 /nfs/dbraw/zinc/60/00/91/555600091.db2.gz SUCLJXLHUJRRRH-OAQYLSRUSA-N 0 3 357.498 2.383 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000366262532 555796406 /nfs/dbraw/zinc/79/64/06/555796406.db2.gz PLWWLFFDEKMULN-DYESRHJHSA-N 0 3 363.392 2.500 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000366723617 555917981 /nfs/dbraw/zinc/91/79/81/555917981.db2.gz MEELKEIMCWDHHB-AEFFLSMTSA-N 0 3 362.518 2.117 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC2CCN(C3CCCC3)CC2)cc1 ZINC000514599972 561969010 /nfs/dbraw/zinc/96/90/10/561969010.db2.gz SMUOWRWSWNMXFU-UHFFFAOYSA-N 0 3 361.511 2.329 20 30 FEEDHN CN(CC1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(C#N)o1 ZINC000367776550 556136181 /nfs/dbraw/zinc/13/61/81/556136181.db2.gz NNSIAXQCKBTXBR-UHFFFAOYSA-N 0 3 360.439 2.083 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000367851575 556154762 /nfs/dbraw/zinc/15/47/62/556154762.db2.gz AXODCLSYKJGIQZ-CABCVRRESA-N 0 3 370.453 2.049 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000368143175 556228982 /nfs/dbraw/zinc/22/89/82/556228982.db2.gz PWEXPUDLHPUACW-MRXNPFEDSA-N 0 3 369.481 2.348 20 30 FEEDHN CN(C(=O)COc1ccc(C#N)cc1)C1CCN(c2ccncc2)CC1 ZINC000368932479 556451934 /nfs/dbraw/zinc/45/19/34/556451934.db2.gz RKERILHOVCEUFP-UHFFFAOYSA-N 0 3 350.422 2.459 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@H](NC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000369136287 556513075 /nfs/dbraw/zinc/51/30/75/556513075.db2.gz CBKGSHGHZCAXTR-RBUKOAKNSA-N 0 3 367.497 2.407 20 30 FEEDHN CC(C)(C#N)c1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000369532803 556623054 /nfs/dbraw/zinc/62/30/54/556623054.db2.gz QFMNSBDSMZBFQA-SFHVURJKSA-N 0 3 368.481 2.042 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000369590257 556640347 /nfs/dbraw/zinc/64/03/47/556640347.db2.gz CZTPOTQOJPPXOQ-NRFANRHFSA-N 0 3 367.493 2.344 20 30 FEEDHN C#CCCN1CCC(NC(=O)CCc2nc(-c3ccsc3)no2)CC1 ZINC000369592046 556641123 /nfs/dbraw/zinc/64/11/23/556641123.db2.gz OJSAHQBNLKUVGK-UHFFFAOYSA-N 0 3 358.467 2.335 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000369755733 556686226 /nfs/dbraw/zinc/68/62/26/556686226.db2.gz ASFZOAQPFVPADF-VQIMIIECSA-N 0 3 373.522 2.262 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@@H]2CCCN2c2cccnn2)CC1 ZINC000369864568 556715981 /nfs/dbraw/zinc/71/59/81/556715981.db2.gz WAFZZPPZGHSUJB-SFHVURJKSA-N 0 3 372.517 2.127 20 30 FEEDHN CC(C)N1CCN(C2CCN(Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000370342427 556845236 /nfs/dbraw/zinc/84/52/36/556845236.db2.gz VBJOHONANXEQIX-UHFFFAOYSA-N 0 3 366.513 2.196 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCCC[C@@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 ZINC000370500031 556892088 /nfs/dbraw/zinc/89/20/88/556892088.db2.gz OSLGEHCLLHFWTF-UHOSZYNNSA-N 0 3 366.465 2.044 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371228719 557112982 /nfs/dbraw/zinc/11/29/82/557112982.db2.gz HRZHPFAUQQIFFM-QAPCUYQASA-N 0 3 356.470 2.199 20 30 FEEDHN C#CCNC(=O)[C@H](C)N(C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000371250080 557119472 /nfs/dbraw/zinc/11/94/72/557119472.db2.gz RXICUJVSNNIARW-HNNXBMFYSA-N 0 3 374.460 2.139 20 30 FEEDHN CN1CCC(C#N)(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000517345567 562086040 /nfs/dbraw/zinc/08/60/40/562086040.db2.gz HFKIYCJBBYRJLW-KRWDZBQOSA-N 0 3 358.461 2.142 20 30 FEEDHN N#Cc1cccc([C@H]2CN(C(=O)NC3CCN(C4CC4)CC3)CCO2)c1 ZINC000371345599 557155016 /nfs/dbraw/zinc/15/50/16/557155016.db2.gz RJWQHTNPVUHPNA-LJQANCHMSA-N 0 3 354.454 2.268 20 30 FEEDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1N[C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000371552897 557219516 /nfs/dbraw/zinc/21/95/16/557219516.db2.gz KBSYUBDUARDFIO-ZHALLVOQSA-N 0 3 361.511 2.472 20 30 FEEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000371706800 557270328 /nfs/dbraw/zinc/27/03/28/557270328.db2.gz LDJSLAVXAHIRGI-UHFFFAOYSA-N 0 3 358.421 2.687 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371995048 557350841 /nfs/dbraw/zinc/35/08/41/557350841.db2.gz WASYRFYRRPLHJQ-OTWHNJEPSA-N 0 3 366.550 2.442 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000372353635 557448286 /nfs/dbraw/zinc/44/82/86/557448286.db2.gz AYQNEBSMZQUARZ-RDTXWAMCSA-N 0 3 359.449 2.187 20 30 FEEDHN Cc1cc(NC(=O)N2C[C@H]3CCCN3C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000372373120 557453241 /nfs/dbraw/zinc/45/32/41/557453241.db2.gz BLXBOIHOKCYKAW-MAUKXSAKSA-N 0 3 364.453 2.753 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](C(=O)Nc3nccs3)C2)cc1 ZINC000372797585 557564381 /nfs/dbraw/zinc/56/43/81/557564381.db2.gz BGAKHPFHJOSHBY-HOTGVXAUSA-N 0 3 356.451 2.399 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000372863303 557577923 /nfs/dbraw/zinc/57/79/23/557577923.db2.gz MNYJYVXIFRXMDB-NSISKUIASA-N 0 3 371.481 2.137 20 30 FEEDHN Cc1ccc(C[C@@H](CO)NCCS(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000519820116 562145392 /nfs/dbraw/zinc/14/53/92/562145392.db2.gz DBNHBKVVEMGBAO-IBGZPJMESA-N 0 3 372.490 2.142 20 30 FEEDHN N#CCCN(C(=O)CN[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1 ZINC000373119555 557632678 /nfs/dbraw/zinc/63/26/78/557632678.db2.gz ZKBJKHWWPPRGRV-UXHICEINSA-N 0 3 370.497 2.166 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000373254144 557659268 /nfs/dbraw/zinc/65/92/68/557659268.db2.gz GQMDFFCWLIYZRY-SBHAEUEKSA-N 0 3 358.482 2.063 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)O[C@@]3(CCCOC3)C2)CC1 ZINC000373492469 557703951 /nfs/dbraw/zinc/70/39/51/557703951.db2.gz DQMLDUDEPKHXBX-ICSRJNTNSA-N 0 3 365.518 2.397 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccccc2CC#N)CC1=O ZINC000520426321 562156368 /nfs/dbraw/zinc/15/63/68/562156368.db2.gz FBUFFUUZSMWLNE-IAGOWNOFSA-N 0 3 354.454 2.024 20 30 FEEDHN C[C@H]1CCCCN1CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000373700196 557741408 /nfs/dbraw/zinc/74/14/08/557741408.db2.gz LSGCVXREKOXSAT-QFBILLFUSA-N 0 3 368.481 2.040 20 30 FEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000373703180 557742188 /nfs/dbraw/zinc/74/21/88/557742188.db2.gz SXKALUKGYLZGDU-ZVDOUQERSA-N 0 3 367.449 2.427 20 30 FEEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC(=O)N(CCC#N)CCC#N)C1 ZINC000373909823 557784755 /nfs/dbraw/zinc/78/47/55/557784755.db2.gz DSLIRZGBMNPXDI-HCXYKTFWSA-N 0 3 360.502 2.294 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000520742973 562162609 /nfs/dbraw/zinc/16/26/09/562162609.db2.gz IJAIVHBZBPYBBX-UHFFFAOYSA-N 0 3 351.472 2.003 20 30 FEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374016767 557808436 /nfs/dbraw/zinc/80/84/36/557808436.db2.gz GGTSOJXLWPZEDH-DCTVWTRXSA-N 0 3 367.449 2.426 20 30 FEEDHN C[C@H](C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)N1CCCCCC1 ZINC000374385324 557876420 /nfs/dbraw/zinc/87/64/20/557876420.db2.gz KWPYUHQBKZIUNZ-WHSLLNHNSA-N 0 3 366.465 2.123 20 30 FEEDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000374827941 557937307 /nfs/dbraw/zinc/93/73/07/557937307.db2.gz ORMWYKJEKNPXTI-AEFFLSMTSA-N 0 3 353.426 2.153 20 30 FEEDHN CN(C)Cc1ccc(C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)cc1 ZINC000374993211 557960916 /nfs/dbraw/zinc/96/09/16/557960916.db2.gz CSIFFPCRGMRTSE-UHFFFAOYSA-N 0 3 363.465 2.732 20 30 FEEDHN C=CC[C@@H](C(=O)N1CCN(CCN2CCCOCC2)CC1)c1ccccc1 ZINC000376102462 558127459 /nfs/dbraw/zinc/12/74/59/558127459.db2.gz LBVRNNHOBRRTDT-OAQYLSRUSA-N 0 3 371.525 2.213 20 30 FEEDHN C=CC[C@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000376906458 558237198 /nfs/dbraw/zinc/23/71/98/558237198.db2.gz FMSKFNZJIINZIY-RBUKOAKNSA-N 0 3 355.482 2.287 20 30 FEEDHN C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@@H](c1ccccc1)N(C)C ZINC000377266549 558302215 /nfs/dbraw/zinc/30/22/15/558302215.db2.gz QVUCKTHXBFVBAH-SNRMKQJTSA-N 0 3 355.486 2.060 20 30 FEEDHN C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@H](c1ccccc1)N(C)C ZINC000377266550 558302256 /nfs/dbraw/zinc/30/22/56/558302256.db2.gz QVUCKTHXBFVBAH-ZYSHUDEJSA-N 0 3 355.486 2.060 20 30 FEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C)(CN2CCOCC2)CC1 ZINC000378267886 558515587 /nfs/dbraw/zinc/51/55/87/558515587.db2.gz CTGDNYANIHHRFM-KRWDZBQOSA-N 0 3 370.497 2.320 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000382097139 558604340 /nfs/dbraw/zinc/60/43/40/558604340.db2.gz IKIIAXLECLQTEJ-LJQANCHMSA-N 0 3 369.490 2.196 20 30 FEEDHN C[C@H]1CCC[C@@](CNCCS(=O)(=O)c2cccc(C#N)c2)(N(C)C)C1 ZINC000392795324 558619249 /nfs/dbraw/zinc/61/92/49/558619249.db2.gz QPVQEMJPHLALDH-QFBILLFUSA-N 0 3 363.527 2.432 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000410405018 558755354 /nfs/dbraw/zinc/75/53/54/558755354.db2.gz CFIMCJYFGXRNNX-NVXWUHKLSA-N 0 3 352.504 2.056 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)n(C)n1 ZINC000525135290 562241159 /nfs/dbraw/zinc/24/11/59/562241159.db2.gz WRDQZGBZIMENGM-UHFFFAOYSA-N 0 3 351.454 2.373 20 30 FEEDHN N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000525990238 562262485 /nfs/dbraw/zinc/26/24/85/562262485.db2.gz WKJYJMWSACZLGF-MRXNPFEDSA-N 0 3 354.454 2.348 20 30 FEEDHN N#Cc1c(NC(=O)CCN2CC[C@](O)(C(F)F)C2)sc2c1CCC2 ZINC000411801676 558966178 /nfs/dbraw/zinc/96/61/78/558966178.db2.gz NCRFNAPIMNDJNQ-MRXNPFEDSA-N 0 3 355.410 2.139 20 30 FEEDHN C[NH+](C)CCCN(CCC#N)C(=O)c1cnc2c(Cl)cccc2c1[O-] ZINC000412177573 559018647 /nfs/dbraw/zinc/01/86/47/559018647.db2.gz RJXSRWSXKZUEAB-UHFFFAOYSA-N 0 3 360.845 2.489 20 30 FEEDHN Cc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413217090 559089320 /nfs/dbraw/zinc/08/93/20/559089320.db2.gz XGQOTINGUVNBIS-NVXWUHKLSA-N 0 3 357.458 2.237 20 30 FEEDHN C=C(C)COc1cc(CN2CCN(C)C[C@H](C(=O)OC)C2)ccc1OC ZINC000414489214 559168015 /nfs/dbraw/zinc/16/80/15/559168015.db2.gz MNYXFUUZSPXOHZ-KRWDZBQOSA-N 0 3 362.470 2.187 20 30 FEEDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000415428044 559235495 /nfs/dbraw/zinc/23/54/95/559235495.db2.gz NZVSUZFCHTXEID-KGLIPLIRSA-N 0 3 362.499 2.366 20 30 FEEDHN N#CCCCOc1cccc(NC(=O)C(=O)N[C@H](CN)C2CCCCC2)c1 ZINC000415432024 559236127 /nfs/dbraw/zinc/23/61/27/559236127.db2.gz VJKJVPFQPJWOLN-GOSISDBHSA-N 0 3 372.469 2.331 20 30 FEEDHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000415842991 559277634 /nfs/dbraw/zinc/27/76/34/559277634.db2.gz PRWKZYXYBQGDRS-KRWDZBQOSA-N 0 3 350.422 2.184 20 30 FEEDHN N#CCCn1ccc(NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)n1 ZINC000415950153 559284357 /nfs/dbraw/zinc/28/43/57/559284357.db2.gz HFDASVCAUUBFKX-UHFFFAOYSA-N 0 3 352.320 2.918 20 30 FEEDHN CN1CCN(c2ncc(CN[C@@H]3CCCc4cc(C#N)ccc43)cn2)CC1 ZINC000418145818 559391836 /nfs/dbraw/zinc/39/18/36/559391836.db2.gz OFNDNRYXUDWLNK-HXUWFJFHSA-N 0 3 362.481 2.267 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N(C)CCN2CCCC2)c(C#N)cn1CC ZINC000421165742 559528100 /nfs/dbraw/zinc/52/81/00/559528100.db2.gz NLCAHAFXSXUWJJ-UHFFFAOYSA-N 0 3 361.446 2.116 20 30 FEEDHN CN(C[C@H]1CCCN1C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000421710878 559550388 /nfs/dbraw/zinc/55/03/88/559550388.db2.gz MTSPDYXYEPPZRP-GOEBONIOSA-N 0 3 374.872 2.117 20 30 FEEDHN COc1cc(CNC(=O)[C@H](N)CCCC#N)ccc1OCC(F)(F)F ZINC000424088730 559654470 /nfs/dbraw/zinc/65/44/70/559654470.db2.gz HEAPPVJSMJVUCI-GFCCVEGCSA-N 0 3 359.348 2.274 20 30 FEEDHN COc1cc(Br)c(NC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424102555 559654878 /nfs/dbraw/zinc/65/48/78/559654878.db2.gz OYGOAXJQLMKBQI-JTQLQIEISA-N 0 3 356.220 2.426 20 30 FEEDHN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@@H](N)CCCC#N)cc21 ZINC000424104699 559654924 /nfs/dbraw/zinc/65/49/24/559654924.db2.gz TYMUKTLMRRYZCH-AWEZNQCLSA-N 0 3 358.442 2.418 20 30 FEEDHN CCCS(=O)(=O)Nc1cc(NC(=O)[C@H](N)CCCC#N)c(F)cc1F ZINC000424112043 559655262 /nfs/dbraw/zinc/65/52/62/559655262.db2.gz ICLPVOLROSXIQD-GFCCVEGCSA-N 0 3 374.413 2.076 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000424116629 559655354 /nfs/dbraw/zinc/65/53/54/559655354.db2.gz XNRATGOABXOHBM-CABCVRRESA-N 0 3 366.259 2.370 20 30 FEEDHN COC(=O)[C@@H](CNC(=O)[C@@H](N)CCCC#N)Cc1ccc2ccccc2c1 ZINC000424121932 559655490 /nfs/dbraw/zinc/65/54/90/559655490.db2.gz IQLRWRQEXUPHQR-MOPGFXCFSA-N 0 3 367.449 2.309 20 30 FEEDHN COc1cc(NC2CCN(C(=O)[C@@H](N)CCCC#N)CC2)cc(OC)c1 ZINC000424140931 559655872 /nfs/dbraw/zinc/65/58/72/559655872.db2.gz GAWDTOBINZSQFR-SFHVURJKSA-N 0 3 360.458 2.128 20 30 FEEDHN COc1cc(N[C@@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)cc(OC)c1 ZINC000424165106 559656578 /nfs/dbraw/zinc/65/65/78/559656578.db2.gz DJQVGUYJOWANPO-KDOFPFPSSA-N 0 3 360.458 2.128 20 30 FEEDHN CN1CC[C@H](NC(=O)[C@@H](N)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424178695 559656970 /nfs/dbraw/zinc/65/69/70/559656970.db2.gz XETFZSKUXOLPEK-JYJNAYRXSA-N 0 3 352.841 2.362 20 30 FEEDHN Cn1cc([C@@H]2CN(C(=O)N[C@H](CCCC#N)c3ccccc3)C[C@H]2N)cn1 ZINC000424474182 559666570 /nfs/dbraw/zinc/66/65/70/559666570.db2.gz IDLXBTPMVKWYQX-IPMKNSEASA-N 0 3 366.469 2.291 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cnc(OC)c(Br)c2)CC1 ZINC000424644375 559672215 /nfs/dbraw/zinc/67/22/15/559672215.db2.gz HDULMBUSHCBUGT-UHFFFAOYSA-N 0 3 354.248 2.233 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000425389023 559699567 /nfs/dbraw/zinc/69/95/67/559699567.db2.gz TUJVVXUJLVGEBF-KKSFZXQISA-N 0 3 368.481 2.022 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000425389831 559699691 /nfs/dbraw/zinc/69/96/91/559699691.db2.gz VGJYATHMWPZHHP-QFBILLFUSA-N 0 3 368.481 2.164 20 30 FEEDHN C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)CN1CCN(C)CC1 ZINC000425468431 559703868 /nfs/dbraw/zinc/70/38/68/559703868.db2.gz DOXNWYOZOAJBSE-IAGOWNOFSA-N 0 3 357.502 2.144 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C(C)(C)COC)CC1 ZINC000425515248 559707332 /nfs/dbraw/zinc/70/73/32/559707332.db2.gz QZEWMSWKBWLVPI-IBGZPJMESA-N 0 3 362.514 2.197 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](n2ccnn2)C1)C(C)C ZINC000425659886 559713623 /nfs/dbraw/zinc/71/36/23/559713623.db2.gz WQPSJCICSQWQJB-ZWKOTPCHSA-N 0 3 360.506 2.323 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)nn1 ZINC000425785003 559719500 /nfs/dbraw/zinc/71/95/00/559719500.db2.gz KWGAXCNHAXATEN-YJBOKZPZSA-N 0 3 356.474 2.263 20 30 FEEDHN CC[NH+](CC)C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428371293 559774005 /nfs/dbraw/zinc/77/40/05/559774005.db2.gz VOOWVJSBHLUPIZ-HUUCEWRRSA-N 0 3 350.488 2.132 20 30 FEEDHN COC(=O)[C@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1C(C)C ZINC000429396750 559797844 /nfs/dbraw/zinc/79/78/44/559797844.db2.gz GSQGZSIRACBZQT-KSZLIROESA-N 0 3 355.438 2.183 20 30 FEEDHN Cc1cc(NC(=O)COc2ccc(C#N)cc2)n(C2CCN(C)CC2)n1 ZINC000430504902 559821153 /nfs/dbraw/zinc/82/11/53/559821153.db2.gz YZSCMSQGKCKKGJ-UHFFFAOYSA-N 0 3 353.426 2.347 20 30 FEEDHN C[C@H]1CN(CCCCNC(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1 ZINC000432196053 559853980 /nfs/dbraw/zinc/85/39/80/559853980.db2.gz MGGBWRICNMMHPR-STQMWFEESA-N 0 3 350.850 2.226 20 30 FEEDHN COc1cc(-c2noc(CCCCCNC(=O)C(C)C#N)n2)ccc1O ZINC000436880555 559955024 /nfs/dbraw/zinc/95/50/24/559955024.db2.gz RTFJNRIMHXAZCR-LBPRGKRZSA-N 0 3 358.398 2.439 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CCC(N3CCCC3)CC2)c(F)c1 ZINC000440056606 560003994 /nfs/dbraw/zinc/00/39/94/560003994.db2.gz SYKUZCYCYRYZLE-UHFFFAOYSA-N 0 3 351.447 2.087 20 30 FEEDHN COc1cc(CNC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)ccc1C#N ZINC000440623013 560015040 /nfs/dbraw/zinc/01/50/40/560015040.db2.gz VMJHNVCJHHCGCF-ROUUACIJSA-N 0 3 357.433 2.003 20 30 FEEDHN CC#CCCNC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000440716824 560017133 /nfs/dbraw/zinc/01/71/33/560017133.db2.gz NOKVFGJLMXCFDA-UHFFFAOYSA-N 0 3 357.454 2.019 20 30 FEEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)C1 ZINC000442774932 560057208 /nfs/dbraw/zinc/05/72/08/560057208.db2.gz BDTWMHNQDXJVPL-NXHRZFHOSA-N 0 3 357.454 2.142 20 30 FEEDHN CC(C)NC(=O)c1cnn2c1C[C@@H](CNCc1ccc(C#N)cc1F)CC2 ZINC000442998404 560065482 /nfs/dbraw/zinc/06/54/82/560065482.db2.gz JANPVMVEOGCTFK-HNNXBMFYSA-N 0 3 369.444 2.384 20 30 FEEDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C#N)n3C)cc2)CC1 ZINC000448695473 560194900 /nfs/dbraw/zinc/19/49/00/560194900.db2.gz XHXUALBYYITEMB-UHFFFAOYSA-N 0 3 351.454 2.287 20 30 FEEDHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N(C)C1CC1 ZINC000448891644 560205247 /nfs/dbraw/zinc/20/52/47/560205247.db2.gz UVOSAMLYXGPAJG-GXTWGEPZSA-N 0 3 374.872 2.163 20 30 FEEDHN CCN(CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000448900489 560205573 /nfs/dbraw/zinc/20/55/73/560205573.db2.gz ZRBNNPLSQIAPTG-AWEZNQCLSA-N 0 3 374.872 2.165 20 30 FEEDHN Cc1cc(CN(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)ccc1C#N ZINC000449430370 560230195 /nfs/dbraw/zinc/23/01/95/560230195.db2.gz ZAGITZYCSBLLFA-UHFFFAOYSA-N 0 3 372.494 2.082 20 30 FEEDHN COC[C@]1(CO)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000449704570 560237587 /nfs/dbraw/zinc/23/75/87/560237587.db2.gz VZNASLGKBJMTSG-HXUWFJFHSA-N 0 3 354.454 2.295 20 30 FEEDHN CCN1CCC[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449823100 560241421 /nfs/dbraw/zinc/24/14/21/560241421.db2.gz YZGVKSVRQHJZHX-LBPRGKRZSA-N 0 3 366.259 2.300 20 30 FEEDHN CCN1CCC[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449819091 560241116 /nfs/dbraw/zinc/24/11/16/560241116.db2.gz HIDWSVNFIPGZIW-ZDUSSCGKSA-N 0 3 366.259 2.300 20 30 FEEDHN N#Cc1ccc(OCC(=O)N2CCN3CCC[C@H]3C2)cc1Br ZINC000449831581 560241725 /nfs/dbraw/zinc/24/17/25/560241725.db2.gz XAWWJFGXXQUZRJ-ZDUSSCGKSA-N 0 3 364.243 2.006 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449835381 560241872 /nfs/dbraw/zinc/24/18/72/560241872.db2.gz PHLSDVHEGJHMQW-CYBMUJFWSA-N 0 3 366.259 2.252 20 30 FEEDHN N#Cc1ccc(N2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1C(F)(F)F ZINC000450893220 560276916 /nfs/dbraw/zinc/27/69/16/560276916.db2.gz RCKHXWJANYSQSK-AWEZNQCLSA-N 0 3 366.387 2.368 20 30 FEEDHN CN(C)CCOc1ccc(CCNS(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000451168366 560290928 /nfs/dbraw/zinc/29/09/28/560290928.db2.gz VSPIQNVNPNTNPX-UHFFFAOYSA-N 0 3 367.515 2.029 20 30 FEEDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524153 560311918 /nfs/dbraw/zinc/31/19/18/560311918.db2.gz BQNBTJKJHGWQAE-IBGZPJMESA-N 0 3 372.488 2.464 20 30 FEEDHN Cc1ncc(S(=O)(=O)N[C@@H](CC(C)C)CN2CCCC2)cc1C#N ZINC000451654915 560319884 /nfs/dbraw/zinc/31/98/84/560319884.db2.gz WMMLXMGNQNELOY-INIZCTEOSA-N 0 3 350.488 2.051 20 30 FEEDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000452016217 560345658 /nfs/dbraw/zinc/34/56/58/560345658.db2.gz NMJOPGFAGMQJBP-IAGOWNOFSA-N 0 3 353.426 2.230 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)N(C)C ZINC000453572075 560389151 /nfs/dbraw/zinc/38/91/51/560389151.db2.gz NKBLLXCKIDIKAK-AWEZNQCLSA-N 0 3 364.877 2.437 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453647263 560393231 /nfs/dbraw/zinc/39/32/31/560393231.db2.gz RLJKSSDVJLIUTN-MRXNPFEDSA-N 0 3 372.469 2.275 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CC[C@@H](C)O2)cc1 ZINC000455257104 560475935 /nfs/dbraw/zinc/47/59/35/560475935.db2.gz PNRYMZMTOXRWOR-DYEKYZERSA-N 0 3 351.428 2.061 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455775515 560494414 /nfs/dbraw/zinc/49/44/14/560494414.db2.gz DRBXZHDAUPJPFJ-ZDUSSCGKSA-N 0 3 364.881 2.002 20 30 FEEDHN C=CCC[C@H](CO)NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000457447155 560567481 /nfs/dbraw/zinc/56/74/81/560567481.db2.gz XZDPRGUODROLSW-IEBWSBKVSA-N 0 3 361.486 2.458 20 30 FEEDHN Cc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)ncc1C#N ZINC000457674750 560581174 /nfs/dbraw/zinc/58/11/74/560581174.db2.gz QRPKAYDXTVRCTA-UHFFFAOYSA-N 0 3 351.410 2.382 20 30 FEEDHN CN(CC(C)(C)C#N)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000458312422 560614455 /nfs/dbraw/zinc/61/44/55/560614455.db2.gz MVXLRDCGPGLEGH-UHFFFAOYSA-N 0 3 358.486 2.334 20 30 FEEDHN C=CCC[C@@H](CO)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000458737395 560644951 /nfs/dbraw/zinc/64/49/51/560644951.db2.gz KAMQFMNRFMENSZ-NFOMZHRRSA-N 0 3 363.424 2.418 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000459996076 560727364 /nfs/dbraw/zinc/72/73/64/560727364.db2.gz PLKSCWDRBVGLFO-LJQANCHMSA-N 0 3 355.482 2.288 20 30 FEEDHN CN1CCN(CCCNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H](c2ccccc2)C1 ZINC000461961463 560789918 /nfs/dbraw/zinc/78/99/18/560789918.db2.gz VASUFVRJIHYORT-VAMGGRTRSA-N 0 3 369.513 2.357 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1 ZINC000470831722 560991045 /nfs/dbraw/zinc/99/10/45/560991045.db2.gz MOAYFLIDFCKCSO-DNVCBOLYSA-N 0 3 360.417 2.062 20 30 FEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1 ZINC000470831725 560991082 /nfs/dbraw/zinc/99/10/82/560991082.db2.gz MOAYFLIDFCKCSO-KXBFYZLASA-N 0 3 360.417 2.062 20 30 FEEDHN COc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000470838791 560991204 /nfs/dbraw/zinc/99/12/04/560991204.db2.gz CHRINSYILHAXEY-INIZCTEOSA-N 0 3 364.361 2.474 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000470988080 560995901 /nfs/dbraw/zinc/99/59/01/560995901.db2.gz BNEIMTWXQZLMNE-MJGOQNOKSA-N 0 3 353.422 2.037 20 30 FEEDHN CC(C)c1noc(CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000471955008 561015138 /nfs/dbraw/zinc/01/51/38/561015138.db2.gz QLTWXBJHHYSVQL-INIZCTEOSA-N 0 3 351.410 2.496 20 30 FEEDHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000473101161 561042122 /nfs/dbraw/zinc/04/21/22/561042122.db2.gz SNCGXBQBSXJYAY-UHFFFAOYSA-N 0 3 363.461 2.481 20 30 FEEDHN C=CCCCCNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000473320811 561047540 /nfs/dbraw/zinc/04/75/40/561047540.db2.gz MUPGWGQFXIWWSM-UHFFFAOYSA-N 0 3 372.513 2.235 20 30 FEEDHN CCN1CCN(C[C@@H](C)CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000476041405 561110126 /nfs/dbraw/zinc/11/01/26/561110126.db2.gz MXFXHBRXLAEYIT-ICSRJNTNSA-N 0 3 356.514 2.464 20 30 FEEDHN CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)NCCN(C)C ZINC000476456215 561119962 /nfs/dbraw/zinc/11/99/62/561119962.db2.gz YKQIMQYTEAOJTQ-SFHVURJKSA-N 0 3 372.513 2.310 20 30 FEEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528358223 562324748 /nfs/dbraw/zinc/32/47/48/562324748.db2.gz KJAORAGAKRYMLY-BHIYHBOVSA-N 0 3 373.497 2.315 20 30 FEEDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528366806 562325221 /nfs/dbraw/zinc/32/52/21/562325221.db2.gz PSKBGDXCWCJYBE-UHOSZYNNSA-N 0 3 373.497 2.315 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000528420966 562328423 /nfs/dbraw/zinc/32/84/23/562328423.db2.gz MWGNADUIHSNMOM-SJORKVTESA-N 0 3 352.434 2.035 20 30 FEEDHN CN1CCN(C[C@H](O)COc2ccccc2C#N)C[C@H]1Cc1ccccc1 ZINC000528495053 562332257 /nfs/dbraw/zinc/33/22/57/562332257.db2.gz CGDBNWSTSCDEHQ-RTWAWAEBSA-N 0 3 365.477 2.157 20 30 FEEDHN CC(C)[C@@]1(CO)CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528511154 562333186 /nfs/dbraw/zinc/33/31/86/562333186.db2.gz DMNJHAHGRUXDMM-NRFANRHFSA-N 0 3 354.450 2.017 20 30 FEEDHN N#CC(C(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21)C(=O)N1CCCC1 ZINC000528915731 562352717 /nfs/dbraw/zinc/35/27/17/562352717.db2.gz OZMRGBLAJKKMIC-QWRGUYRKSA-N 0 3 354.332 2.111 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCN2C2CCCCC2)c1 ZINC000530236430 562403191 /nfs/dbraw/zinc/40/31/91/562403191.db2.gz OCGVLNUMELMZJK-GOSISDBHSA-N 0 3 361.511 2.329 20 30 FEEDHN CN1CCN(C)c2cc(NC[C@@H](O)COc3ccccc3C#N)ccc2C1 ZINC000530237716 562403449 /nfs/dbraw/zinc/40/34/49/562403449.db2.gz JFNYTBIJWILIBI-LJQANCHMSA-N 0 3 366.465 2.292 20 30 FEEDHN CC(C)c1csc(C(C#N)C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)n1 ZINC000531091743 562434483 /nfs/dbraw/zinc/43/44/83/562434483.db2.gz YCEBSRAEWFTVSP-LLVKDONJSA-N 0 3 366.468 2.335 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC1 ZINC000532936212 562493049 /nfs/dbraw/zinc/49/30/49/562493049.db2.gz UCNJAWNAQDZVEH-INIZCTEOSA-N 0 3 356.470 2.452 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)N2CCC(CC#N)CC2)c(OCCN(C)C)c1 ZINC000541043155 562601135 /nfs/dbraw/zinc/60/11/35/562601135.db2.gz ZIKZWWXZUZJMCI-UHFFFAOYSA-N 0 3 372.469 2.026 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)ccc2[nH]c1=O ZINC000602141769 567935519 /nfs/dbraw/zinc/93/55/19/567935519.db2.gz NTHIPBIEQRISQL-QGZVFWFLSA-N 0 3 369.469 2.458 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000602538943 567992658 /nfs/dbraw/zinc/99/26/58/567992658.db2.gz FZCCDPVRFUNSSL-KBPBESRZSA-N 0 3 354.397 2.393 20 30 FEEDHN CCNS(=O)(=O)c1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602689251 568011690 /nfs/dbraw/zinc/01/16/90/568011690.db2.gz AWWARTPORZHVOE-HNNXBMFYSA-N 0 3 365.499 2.173 20 30 FEEDHN CC(C)c1nc(CC2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000602862560 568049835 /nfs/dbraw/zinc/04/98/35/568049835.db2.gz KBWJMPBKSZXWKG-LJQANCHMSA-N 0 3 360.506 2.237 20 30 FEEDHN CC(C)c1nnc(CC2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000602862560 568049836 /nfs/dbraw/zinc/04/98/36/568049836.db2.gz KBWJMPBKSZXWKG-LJQANCHMSA-N 0 3 360.506 2.237 20 30 FEEDHN CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000568650810 568107018 /nfs/dbraw/zinc/10/70/18/568107018.db2.gz XOHWCUGDIIWTHI-UHFFFAOYSA-N 0 3 371.485 2.315 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](N)C2)c1 ZINC000568653813 568107102 /nfs/dbraw/zinc/10/71/02/568107102.db2.gz IHWQUEOOBWESMR-ZWKOTPCHSA-N 0 3 359.426 2.203 20 30 FEEDHN Cc1csc(NC(=O)N2CCC(CN3CCN(C)CC3)CC2)c1C#N ZINC000568898510 568249783 /nfs/dbraw/zinc/24/97/83/568249783.db2.gz LYRRPCZLWLLIPU-UHFFFAOYSA-N 0 3 361.515 2.420 20 30 FEEDHN Cc1ccc2ncc(C#N)c(N3CCN([C@H]4CCNC(=O)CC4)CC3)c2c1 ZINC000570914677 568673264 /nfs/dbraw/zinc/67/32/64/568673264.db2.gz INRUKVJLJHVWCV-QGZVFWFLSA-N 0 3 363.465 2.206 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2Cc3ccc(Cl)cc3C2)nc1 ZINC000808756866 674470720 /nfs/dbraw/zinc/47/07/20/674470720.db2.gz ZABVVHKOJITXML-INIZCTEOSA-N 0 3 361.854 2.137 20 30 FEEDHN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)Sc1ccccc1 ZINC000562989869 674832163 /nfs/dbraw/zinc/83/21/63/674832163.db2.gz AMRRBLSFGJPILS-CQSZACIVSA-N 0 3 361.492 2.497 20 30 FEEDHN CC(=NNC(=S)NC1CCN(Cc2ccccc2)CC1)c1cc[nH]n1 ZINC000814727652 674876318 /nfs/dbraw/zinc/87/63/18/674876318.db2.gz RINQWDVFRAQJCY-UHFFFAOYSA-N 0 3 356.499 2.262 20 30 FEEDHN CN(C)C(=O)OC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000815189184 674928078 /nfs/dbraw/zinc/92/80/78/674928078.db2.gz IBCJBGLUPXVCFW-UHFFFAOYSA-N 0 3 350.444 2.111 20 30 FEEDHN Cc1ccc(S(=O)(=O)NN=C2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000060798819 670389361 /nfs/dbraw/zinc/38/93/61/670389361.db2.gz GQAGQHVQXVYPBT-UHFFFAOYSA-N 0 3 368.459 2.432 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2c(F)cccc2F)CC1 ZINC000077566979 670567261 /nfs/dbraw/zinc/56/72/61/670567261.db2.gz XVJQMYVJTSMVCM-INIZCTEOSA-N 0 3 353.413 2.338 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCCSc2ccccc2)nc1 ZINC000566063483 675176853 /nfs/dbraw/zinc/17/68/53/675176853.db2.gz XXPGUSQMJVDELK-UHFFFAOYSA-N 0 3 361.492 2.499 20 30 FEEDHN CC[S@](=O)[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000578350566 671658948 /nfs/dbraw/zinc/65/89/48/671658948.db2.gz QJICDPSPXVSRAY-PXAQALGRSA-N 0 3 368.524 2.001 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000118518890 671886529 /nfs/dbraw/zinc/88/65/29/671886529.db2.gz UKLRRKAJNDNPMU-INIZCTEOSA-N 0 3 355.265 2.488 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000121584555 671952951 /nfs/dbraw/zinc/95/29/51/671952951.db2.gz WUYWEVQYVOTGGJ-AWEZNQCLSA-N 0 3 361.423 2.197 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1cc(Cl)ccc1OC ZINC000124268214 671993793 /nfs/dbraw/zinc/99/37/93/671993793.db2.gz YVHXRKUTHKLBNC-CQSZACIVSA-N 0 3 352.818 2.143 20 30 FEEDHN N#Cc1cc(S(=O)(=O)NCC2CCN(C3CC3)CC2)ccc1Cl ZINC000582943775 672048472 /nfs/dbraw/zinc/04/84/72/672048472.db2.gz WZOMYOFUTJFTDF-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000131139154 672084546 /nfs/dbraw/zinc/08/45/46/672084546.db2.gz MTVJVEMVRVQEKT-DLBZAZTESA-N 0 3 355.467 2.289 20 30 FEEDHN CNC(=O)C(C#N)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000133462605 672111070 /nfs/dbraw/zinc/11/10/70/672111070.db2.gz KDXDALQGVUXTQD-ZDUSSCGKSA-N 0 3 363.826 2.373 20 30 FEEDHN N#Cc1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000610613783 675984371 /nfs/dbraw/zinc/98/43/71/675984371.db2.gz MAEQDXZZSGGVKR-JKSUJKDBSA-N 0 3 351.397 2.191 20 30 FEEDHN CCCN(CCN1CCCCCC1)S(=O)(=O)N(CC)C[C@H](C)C#N ZINC000584254491 672170031 /nfs/dbraw/zinc/17/00/31/672170031.db2.gz RUSOOTDNENCFDE-QGZVFWFLSA-N 0 3 358.552 2.301 20 30 FEEDHN CC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000171566846 672333471 /nfs/dbraw/zinc/33/34/71/672333471.db2.gz FXPLVRDPBYLKPS-DGCLKSJQSA-N 0 3 365.792 2.385 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Br)s1 ZINC000173957117 672356121 /nfs/dbraw/zinc/35/61/21/672356121.db2.gz QTXDWIHFDITVBY-IUCAKERBSA-N 0 3 359.245 2.086 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCc1ccccc1Br ZINC000178085681 672388896 /nfs/dbraw/zinc/38/88/96/672388896.db2.gz VLOUBIBYMOCYAA-ZDUSSCGKSA-N 0 3 367.243 2.243 20 30 FEEDHN CN(C)CCn1nnnc1SCc1ccc(C#N)cc1Br ZINC000611491993 676040226 /nfs/dbraw/zinc/04/02/26/676040226.db2.gz VBPYVJZFQAAISE-UHFFFAOYSA-N 0 3 367.276 2.161 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3ccccc3)CCC2)nc1 ZINC000591723906 672704650 /nfs/dbraw/zinc/70/46/50/672704650.db2.gz QXZZVABCMOPXTN-UHFFFAOYSA-N 0 3 355.463 2.438 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)nc1 ZINC000591755220 672708099 /nfs/dbraw/zinc/70/80/99/672708099.db2.gz ROPHOZLIWFJWTO-NZSAHSFTSA-N 0 3 353.447 2.045 20 30 FEEDHN COc1ccc(Cl)c(N2CCN(C(=O)[C@H](N)CCCC#N)CC2)c1 ZINC000593913102 673007295 /nfs/dbraw/zinc/00/72/95/673007295.db2.gz XPOWEKREVHEAHN-OAHLLOKOSA-N 0 3 350.850 2.018 20 30 FEEDHN COC(=O)C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594432437 673071306 /nfs/dbraw/zinc/07/13/06/673071306.db2.gz AGPYCIJHLGWDSY-CABCVRRESA-N 0 3 351.834 2.472 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000594433190 673071467 /nfs/dbraw/zinc/07/14/67/673071467.db2.gz MCXRBNOKGVCTKV-GJZGRUSLSA-N 0 3 362.861 2.363 20 30 FEEDHN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594447680 673073565 /nfs/dbraw/zinc/07/35/65/673073565.db2.gz VFAAZGAVIAQZMH-OAHLLOKOSA-N 0 3 352.460 2.188 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cnc2c(Br)cccn12 ZINC000594467090 673078247 /nfs/dbraw/zinc/07/82/47/673078247.db2.gz FZWYZKJQUMYFSZ-LLVKDONJSA-N 0 3 350.220 2.447 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000594854578 673165700 /nfs/dbraw/zinc/16/57/00/673165700.db2.gz RHFYWDFWHLENCQ-OAHLLOKOSA-N 0 3 351.447 2.383 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)CN1C1CC1 ZINC000595553437 673265787 /nfs/dbraw/zinc/26/57/87/673265787.db2.gz HEPKZILDXADQEB-ZIAGYGMSSA-N 0 3 359.499 2.077 20 30 FEEDHN C=CCN1CCC(Nc2ccc(S(=O)(=O)NCCC(C)C)cn2)CC1 ZINC000462827963 673284644 /nfs/dbraw/zinc/28/46/44/673284644.db2.gz XLPIQASNRQRCFM-UHFFFAOYSA-N 0 3 366.531 2.468 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1 ZINC000596065995 673355246 /nfs/dbraw/zinc/35/52/46/673355246.db2.gz LNKUDWJZXXHERR-IPMKNSEASA-N 0 3 356.422 2.399 20 30 FEEDHN N#Cc1ccc2c(c1)N(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)CC2 ZINC000597445813 673478755 /nfs/dbraw/zinc/47/87/55/673478755.db2.gz YNOYRJAWUOBUNN-KBPBESRZSA-N 0 3 354.328 2.431 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCCN(C)C1=O ZINC000539805249 673507335 /nfs/dbraw/zinc/50/73/35/673507335.db2.gz WMHCCCDOJSBCPQ-HNNXBMFYSA-N 0 3 363.531 2.205 20 30 FEEDHN C[C@@H]1[C@H](C)[S@@](=O)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736629569 673534857 /nfs/dbraw/zinc/53/48/57/673534857.db2.gz RGXUIQPNCFYYCD-JQCMZGFUSA-N 0 3 361.492 2.314 20 30 FEEDHN CN(C[C@H](c1cccs1)N1CCOCC1)C[C@@H](O)CC(C)(C)C#N ZINC000598588413 673587141 /nfs/dbraw/zinc/58/71/41/673587141.db2.gz LKXAPGGHIALHLB-JKSUJKDBSA-N 0 3 351.516 2.354 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000598829347 673614930 /nfs/dbraw/zinc/61/49/30/673614930.db2.gz YZGMNXKFLZFXQR-NEPJUHHUSA-N 0 3 358.316 2.489 20 30 FEEDHN CN(CCC#N)C(=O)CCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599544078 673690154 /nfs/dbraw/zinc/69/01/54/673690154.db2.gz IDLUAHHZAGCMJS-CZUORRHYSA-N 0 3 355.360 2.273 20 30 FEEDHN CCS(=O)(=O)c1cc(Cl)cc(CNC[C@@H](O)CC2(C#N)CC2)c1 ZINC000600736817 673795590 /nfs/dbraw/zinc/79/55/90/673795590.db2.gz RISAANHBMCSARV-AWEZNQCLSA-N 0 3 356.875 2.278 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000547343709 673844723 /nfs/dbraw/zinc/84/47/23/673844723.db2.gz XPWBGSOFIRWPQE-INIZCTEOSA-N 0 3 363.424 2.372 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)Nc1cc(C#N)c(Br)cn1 ZINC000603345229 673925575 /nfs/dbraw/zinc/92/55/75/673925575.db2.gz ZIYHOOITRKHMLW-GFCCVEGCSA-N 0 3 352.280 2.154 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000818589122 675226482 /nfs/dbraw/zinc/22/64/82/675226482.db2.gz RPKVOOOFCOINBX-UHFFFAOYSA-N 0 3 358.423 2.403 20 30 FEEDHN COc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1C#N ZINC000830408915 677037804 /nfs/dbraw/zinc/03/78/04/677037804.db2.gz UPFGPPDTUQMCOZ-QWHCGFSZSA-N 0 3 358.316 2.489 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@H]1CCCO1 ZINC000838560223 680701628 /nfs/dbraw/zinc/70/16/28/680701628.db2.gz UVSWBPDYUNOBFJ-OKZBNKHCSA-N 0 3 361.511 2.491 20 30 FEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000662080651 678575106 /nfs/dbraw/zinc/57/51/06/678575106.db2.gz PIBGYLUNAXQVHD-IYBDPMFKSA-N 0 3 359.495 2.216 20 30 FEEDHN COc1ccc(C(C)=NNS(=O)(=O)C(C)C)cc1CN1CCCC1 ZINC000749743998 680071112 /nfs/dbraw/zinc/07/11/12/680071112.db2.gz AOKIFRDYEJXSST-UHFFFAOYSA-N 0 3 353.488 2.343 20 30 FEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C ZINC000912113011 685315484 /nfs/dbraw/zinc/31/54/84/685315484.db2.gz KVCLQIYHYMALMM-OAHLLOKOSA-N 0 3 353.488 2.176 20 30 FEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001022225532 680203853 /nfs/dbraw/zinc/20/38/53/680203853.db2.gz IPXAKRBKWOZGCE-QXSJWSMHSA-N 0 3 353.894 2.157 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001022721362 680232429 /nfs/dbraw/zinc/23/24/29/680232429.db2.gz QIHCXXWYAPDBHR-VNQPRFMTSA-N 0 3 367.921 2.166 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1cc(OC)ns1 ZINC001025090900 680313207 /nfs/dbraw/zinc/31/32/07/680313207.db2.gz SWNBHHXYDKEWCQ-BMFZPTHFSA-N 0 3 365.499 2.214 20 30 FEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000999144624 680396296 /nfs/dbraw/zinc/39/62/96/680396296.db2.gz AOSOOJIIJZIIEI-CVSAEHQPSA-N 0 3 357.292 2.289 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(Br)s1 ZINC000836204789 680435100 /nfs/dbraw/zinc/43/51/00/680435100.db2.gz OWOWFFKQEYVNCX-UHFFFAOYSA-N 0 3 358.305 2.307 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000836305507 680448064 /nfs/dbraw/zinc/44/80/64/680448064.db2.gz FAZRQAGOQBCULY-UHFFFAOYSA-N 0 3 361.833 2.144 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C3(C)OCCO3)CC2)CC1 ZINC000756695243 680492723 /nfs/dbraw/zinc/49/27/23/680492723.db2.gz XQBNDUFOBCJBHV-UHFFFAOYSA-N 0 3 351.491 2.212 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043510687 680584949 /nfs/dbraw/zinc/58/49/49/680584949.db2.gz DICNMWMVIUIIEX-NTZNESFSSA-N 0 3 367.906 2.411 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043512367 680584988 /nfs/dbraw/zinc/58/49/88/680584988.db2.gz NQGORRKZEQPGAK-GRYCIOLGSA-N 0 3 367.906 2.411 20 30 FEEDHN COC(=O)[C@]1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000759786637 680667159 /nfs/dbraw/zinc/66/71/59/680667159.db2.gz XIYNCNIBNOZEAQ-KZULUSFZSA-N 0 3 357.435 2.358 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@@H]1N(C)C ZINC000759992668 680674060 /nfs/dbraw/zinc/67/40/60/680674060.db2.gz IVLITRLFQYSHKH-ZFWWWQNUSA-N 0 3 352.435 2.237 20 30 FEEDHN Cn1nc(C2CC2)nc1CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000842686506 680959494 /nfs/dbraw/zinc/95/94/94/680959494.db2.gz NUMKGNMBRNNCLR-NSHDSACASA-N 0 3 357.801 2.236 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCC[C@]1(O)CCCOC1 ZINC000846110870 681184261 /nfs/dbraw/zinc/18/42/61/681184261.db2.gz PIJCIBYDIIZKJA-QGZVFWFLSA-N 0 3 368.271 2.482 20 30 FEEDHN Cc1cc(Br)cc(CNCCNC(=O)C2N=CC=CC2=O)c1 ZINC000774992577 681263933 /nfs/dbraw/zinc/26/39/33/681263933.db2.gz QHPNWBGAVKZLFF-FOCLMDBBSA-N 0 3 364.243 2.374 20 30 FEEDHN COCCCn1cnnc1SCC(=O)C(C#N)c1nc(C)cs1 ZINC000912735046 685428608 /nfs/dbraw/zinc/42/86/08/685428608.db2.gz URELSZBTYNJOIP-LLVKDONJSA-N 0 3 351.457 2.048 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000913942235 685489675 /nfs/dbraw/zinc/48/96/75/685489675.db2.gz FAJSBDSUPFQISU-UHFFFAOYSA-N 0 3 361.511 2.469 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)Cc1sc(SCC(C)C)nc1C ZINC000850757893 681956922 /nfs/dbraw/zinc/95/69/22/681956922.db2.gz UBJLCRDJUWERKE-LBPRGKRZSA-N 0 3 369.512 2.214 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCOC1 ZINC000850761525 681957449 /nfs/dbraw/zinc/95/74/49/681957449.db2.gz NTXKPRDABUCREJ-ZSGNIPIJSA-N 0 3 354.765 2.178 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CCc2ccns2)CC1(C)C ZINC000941046833 682097639 /nfs/dbraw/zinc/09/76/39/682097639.db2.gz NBOSCLJBDKRPFS-IKGGRYGDSA-N 0 3 363.527 2.493 20 30 FEEDHN C#C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C1CCOCC1 ZINC000852644263 682312513 /nfs/dbraw/zinc/31/25/13/682312513.db2.gz MHIQFEBSOXYLDJ-KRWDZBQOSA-N 0 3 365.543 2.076 20 30 FEEDHN CC(=NNC(=S)NC1CCN(Cc2ccccc2)CC1)c1c[nH]cn1 ZINC000853267454 682400107 /nfs/dbraw/zinc/40/01/07/682400107.db2.gz QMVLNPHMZOADQB-UHFFFAOYSA-N 0 3 356.499 2.262 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC000972967513 682439645 /nfs/dbraw/zinc/43/96/45/682439645.db2.gz XHCASKRYISJCJY-RBSFLKMASA-N 0 3 355.910 2.165 20 30 FEEDHN CCOC(=O)[C@H]1[C@@H](NCC2(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000788804977 682557923 /nfs/dbraw/zinc/55/79/23/682557923.db2.gz ZCNLSWWPWNCOHK-UONOGXRCSA-N 0 3 351.447 2.211 20 30 FEEDHN CCOC(=O)[C@@H]1[C@H](NCC2(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000788804976 682558049 /nfs/dbraw/zinc/55/80/49/682558049.db2.gz ZCNLSWWPWNCOHK-KGLIPLIRSA-N 0 3 351.447 2.211 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC2OCCCO2)cc1Cl ZINC000793124564 682865804 /nfs/dbraw/zinc/86/58/04/682865804.db2.gz LSAFYQRVJWYKTF-LLVKDONJSA-N 0 3 352.774 2.149 20 30 FEEDHN C=CCOc1c(Cl)cc(CNC[C@@H](O)c2cnn(C)c2)cc1OC ZINC000858145843 682938357 /nfs/dbraw/zinc/93/83/57/682938357.db2.gz HGYWQXPFEKTVEE-OAHLLOKOSA-N 0 3 351.834 2.470 20 30 FEEDHN COC(=O)[C@@H]1C[C@H](F)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000796512026 683167116 /nfs/dbraw/zinc/16/71/16/683167116.db2.gz NQVYQPHWXJZOBG-LOWVWBTDSA-N 0 3 361.398 2.058 20 30 FEEDHN COC[C@@]1(C)CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000860199009 683214737 /nfs/dbraw/zinc/21/47/37/683214737.db2.gz CWDKVGSJOZJWIP-SCLBCKFNSA-N 0 3 359.451 2.210 20 30 FEEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956582 683408288 /nfs/dbraw/zinc/40/82/88/683408288.db2.gz DTBBUXFWLBOCET-HOTGVXAUSA-N 0 3 351.491 2.352 20 30 FEEDHN C=CCOc1ccc(CNC[C@]23COC(=O)N2CCOC3)cc1Cl ZINC000865770135 684026059 /nfs/dbraw/zinc/02/60/59/684026059.db2.gz OMQDKPLNWNVPII-KRWDZBQOSA-N 0 3 352.818 2.216 20 30 FEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000870143922 684687690 /nfs/dbraw/zinc/68/76/90/684687690.db2.gz ZCZMIZCMCRJVDM-BYNSBNAKSA-N 0 3 359.223 2.322 20 30 FEEDHN CC[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)c1ccccc1 ZINC000872250390 684932075 /nfs/dbraw/zinc/93/20/75/684932075.db2.gz HRIRFODRBNYJPE-MOPGFXCFSA-N 0 3 358.463 2.434 20 30 FEEDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)Nc2nc(Cl)c(C#N)s2)cn1 ZINC000875681764 686063505 /nfs/dbraw/zinc/06/35/05/686063505.db2.gz KDELKDYWJUYJQI-WDEREUQCSA-N 0 3 364.862 2.076 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000876635982 686233843 /nfs/dbraw/zinc/23/38/43/686233843.db2.gz OZOCRMBJNFMJBN-OAHLLOKOSA-N 0 3 351.834 2.039 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000876741290 686258663 /nfs/dbraw/zinc/25/86/63/686258663.db2.gz QCDBGVWNKYJSKY-JKSUJKDBSA-N 0 3 372.296 2.299 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000876753230 686260983 /nfs/dbraw/zinc/26/09/83/686260983.db2.gz IPHUAJZCOMNBOU-WBMJQRKESA-N 0 3 369.868 2.434 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000876753228 686261120 /nfs/dbraw/zinc/26/11/20/686261120.db2.gz IPHUAJZCOMNBOU-LRDDRELGSA-N 0 3 369.868 2.434 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000876777464 686266635 /nfs/dbraw/zinc/26/66/35/686266635.db2.gz NFTZYPIGHBPOCB-CXAGYDPISA-N 0 3 367.877 2.116 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000876890485 686288501 /nfs/dbraw/zinc/28/85/01/686288501.db2.gz AIIMLIFLZFSEBZ-LSDHHAIUSA-N 0 3 371.815 2.042 20 30 FEEDHN C=C(C)CN1CCC(Nc2ccc3nnc(Br)n3n2)CC1 ZINC000881945938 687267648 /nfs/dbraw/zinc/26/76/48/687267648.db2.gz BBYFCQRAIBJSFS-UHFFFAOYSA-N 0 3 351.252 2.339 20 30 FEEDHN CSc1cc2c(cc1NC(=O)C1CC3(C1)CNC[C@@H]3C#N)OCCO2 ZINC000884116707 687793303 /nfs/dbraw/zinc/79/33/03/687793303.db2.gz DAFLXBOYYSXABE-LASWEOPPSA-N 0 3 359.451 2.258 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)CC1 ZINC000884131241 687796923 /nfs/dbraw/zinc/79/69/23/687796923.db2.gz GHXUTHXIKZOCHN-VDZJLULYSA-N 0 3 351.491 2.053 20 30 FEEDHN Cc1cc(Br)cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1N ZINC000884250800 687829453 /nfs/dbraw/zinc/82/94/53/687829453.db2.gz OMSJRLMJXIYGDM-NOEPWBJOSA-N 0 3 363.259 2.418 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CC[C@H](Oc3ccccc3Cl)C1)C2 ZINC000884323794 687848487 /nfs/dbraw/zinc/84/84/87/687848487.db2.gz YSIYSPASQKOGPW-LPRCSBTHSA-N 0 3 359.857 2.459 20 30 FEEDHN CN(CCCN(C)S(=O)(=O)c1cccc(C#N)c1)Cc1ccncc1 ZINC000886424724 688252713 /nfs/dbraw/zinc/25/27/13/688252713.db2.gz ASHVQLSNILNYSD-UHFFFAOYSA-N 0 3 358.467 2.096 20 30 FEEDHN C=CCC1(O)CCN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000886778606 688309574 /nfs/dbraw/zinc/30/95/74/688309574.db2.gz JNWGAJWXALOKPA-QAPCUYQASA-N 0 3 354.491 2.150 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cncc(Cl)c1)C(C)C ZINC000889799582 688831275 /nfs/dbraw/zinc/83/12/75/688831275.db2.gz CAZOFXGFPMKAEI-MRXNPFEDSA-N 0 3 364.877 2.488 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCc2sccc2C1=O ZINC000892459602 689199071 /nfs/dbraw/zinc/19/90/71/689199071.db2.gz ZYUYNKRTKKLQFP-JSGCOSHPSA-N 0 3 362.451 2.135 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCc1ccc(Br)cc1 ZINC000892492793 689203171 /nfs/dbraw/zinc/20/31/71/689203171.db2.gz XVRWKLAQKQBRHT-AWEZNQCLSA-N 0 3 367.243 2.243 20 30 FEEDHN N#CC(C(=O)C[C@@H]1CCNC1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000892499167 689204309 /nfs/dbraw/zinc/20/43/09/689204309.db2.gz SOGIRRUMDZMOEJ-QPUJVOFHSA-N 0 3 354.193 2.167 20 30 FEEDHN Cc1cc(C#N)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980354 722150946 /nfs/dbraw/zinc/15/09/46/722150946.db2.gz NEEFZUIUTZFUSB-VQTJNVASSA-N 0 3 363.465 2.384 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CCN(C(=O)N(C)C)CC1)C(C)C ZINC000045910375 540233735 /nfs/dbraw/zinc/23/37/35/540233735.db2.gz ZLHDADRUCGVTAH-SFHVURJKSA-N 0 3 364.534 2.195 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCC3(CC2)OCCO3)c(OC)c1 ZINC000047496711 540314381 /nfs/dbraw/zinc/31/43/81/540314381.db2.gz PGKIRMOAMYRHTA-QGZVFWFLSA-N 0 3 363.454 2.002 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000050009369 540397553 /nfs/dbraw/zinc/39/75/53/540397553.db2.gz GPYLSTOZQZILDD-UHFFFAOYSA-N 0 3 370.497 2.273 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)N(C)C ZINC000050165199 540401732 /nfs/dbraw/zinc/40/17/32/540401732.db2.gz PZZNQGZDCPSPJS-KRWDZBQOSA-N 0 3 372.469 2.132 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCCC[C@@H]1C ZINC000054851166 540615050 /nfs/dbraw/zinc/61/50/50/540615050.db2.gz OCICGPQCHCTEMI-HNNXBMFYSA-N 0 3 372.469 2.275 20 30 FEEDHN C[C@H]1CCCN(Cc2ccccc2CNS(=O)(=O)N(C)CCC#N)C1 ZINC000056064569 540698962 /nfs/dbraw/zinc/69/89/62/540698962.db2.gz KGWNZIXHUJPWDA-INIZCTEOSA-N 0 3 364.515 2.098 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000057177505 540776675 /nfs/dbraw/zinc/77/66/75/540776675.db2.gz JIOJZYZADWWZDQ-UHFFFAOYSA-N 0 3 362.477 2.322 20 30 FEEDHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(C#N)CC1 ZINC000057877453 540821469 /nfs/dbraw/zinc/82/14/69/540821469.db2.gz XEQSHYWCPFMJNP-KRWDZBQOSA-N 0 3 354.498 2.391 20 30 FEEDHN Cc1cc(=NC(=O)NC2CCN(CCOC(C)C)CC2)[nH]n1CCC#N ZINC000538619726 540873653 /nfs/dbraw/zinc/87/36/53/540873653.db2.gz UBDKFHWEIBRSML-UHFFFAOYSA-N 0 3 362.478 2.116 20 30 FEEDHN C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)N1CCCC[C@H]1C ZINC000066240549 541294173 /nfs/dbraw/zinc/29/41/73/541294173.db2.gz XFWFRDLIHPYHPO-CABCVRRESA-N 0 3 366.469 2.319 20 30 FEEDHN C[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)N1CCCC1 ZINC000066620546 541347862 /nfs/dbraw/zinc/34/78/62/541347862.db2.gz GVCHAUADIMEPJC-KRWDZBQOSA-N 0 3 356.470 2.314 20 30 FEEDHN C[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)N(C)C1CC1 ZINC000066623542 541348517 /nfs/dbraw/zinc/34/85/17/541348517.db2.gz CUPXDJQRKMNHMI-MRXNPFEDSA-N 0 3 356.470 2.312 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCN1C ZINC000542838650 541484586 /nfs/dbraw/zinc/48/45/86/541484586.db2.gz MWMDCBAFBLDSGZ-QWHCGFSZSA-N 0 3 356.405 2.487 20 30 FEEDHN CCN1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069385992 541682410 /nfs/dbraw/zinc/68/24/10/541682410.db2.gz GIWDWWWAZQCXDM-KRWDZBQOSA-N 0 3 373.476 2.450 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000072855689 541882132 /nfs/dbraw/zinc/88/21/32/541882132.db2.gz CCVMSVVOOZKBNW-MRXNPFEDSA-N 0 3 372.469 2.276 20 30 FEEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000074477569 542088153 /nfs/dbraw/zinc/08/81/53/542088153.db2.gz XZSSZQIXTNECIG-OAHLLOKOSA-N 0 3 354.458 2.126 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)CC1 ZINC000076513163 542288626 /nfs/dbraw/zinc/28/86/26/542288626.db2.gz HOODQEWWLWBRTK-UHFFFAOYSA-N 0 3 358.486 2.236 20 30 FEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000076618051 542301770 /nfs/dbraw/zinc/30/17/70/542301770.db2.gz LQKIBOZBFWUBDN-IBGZPJMESA-N 0 3 362.433 2.230 20 30 FEEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000076734828 542318420 /nfs/dbraw/zinc/31/84/20/542318420.db2.gz HJXWGDUPABNMJP-AWEZNQCLSA-N 0 3 353.488 2.162 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@@H](O)C2)c1C#N ZINC000078390780 542459408 /nfs/dbraw/zinc/45/94/08/542459408.db2.gz SARGDQIBEVPWOG-MRXNPFEDSA-N 0 3 370.453 2.403 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000079596819 542530370 /nfs/dbraw/zinc/53/03/70/542530370.db2.gz BRPROPFSOSBTRW-UHFFFAOYSA-N 0 3 374.529 2.419 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000080172447 542570955 /nfs/dbraw/zinc/57/09/55/542570955.db2.gz XSKOALFLWLKNOC-INIZCTEOSA-N 0 3 372.469 2.298 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000084680510 542719048 /nfs/dbraw/zinc/71/90/48/542719048.db2.gz GMAZZRYSMCNSQE-WWDZGPRUSA-N 0 3 364.534 2.219 20 30 FEEDHN C=CCN(CC(=O)NC1CCN(CC)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000089120988 542758203 /nfs/dbraw/zinc/75/82/03/542758203.db2.gz LBLFCQASIZEZPH-UHFFFAOYSA-N 0 3 360.458 2.183 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000090561691 542785879 /nfs/dbraw/zinc/78/58/79/542785879.db2.gz MBULAUYKVYBIIQ-IBGZPJMESA-N 0 3 370.497 2.127 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3oc(C)nc3c2)CC1 ZINC000091221529 542799742 /nfs/dbraw/zinc/79/97/42/542799742.db2.gz CVDMEDSPSZGMIH-UHFFFAOYSA-N 0 3 356.426 2.231 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000091577854 542813802 /nfs/dbraw/zinc/81/38/02/542813802.db2.gz PWXRWXVMWKKQGQ-RTWAWAEBSA-N 0 3 368.525 2.168 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CNC2(c3ccccc3)CCC2)CC1 ZINC000091596674 542815406 /nfs/dbraw/zinc/81/54/06/542815406.db2.gz XVBRRHHRTKUYNB-LJQANCHMSA-N 0 3 354.498 2.348 20 30 FEEDHN CN(CCN1CCCC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092423729 542863320 /nfs/dbraw/zinc/86/33/20/542863320.db2.gz MOUVEFHZORZDFR-UHFFFAOYSA-N 0 3 371.485 2.380 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc2sc(C)cn2c1=O)C(C)C ZINC000092861375 542892453 /nfs/dbraw/zinc/89/24/53/542892453.db2.gz JBHMDKPLMNYFHQ-MRXNPFEDSA-N 0 3 374.510 2.493 20 30 FEEDHN CC[C@H](CO)N1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000093740326 542939233 /nfs/dbraw/zinc/93/92/33/542939233.db2.gz RYDACLOPULXYJG-GOSISDBHSA-N 0 3 361.486 2.266 20 30 FEEDHN C[C@H]1CN(C[C@@H]2CCCN2CCC(=O)Nc2ccccc2C#N)C[C@H](C)O1 ZINC000103470117 543109585 /nfs/dbraw/zinc/10/95/85/543109585.db2.gz GGKMXPJMHGUNHI-LNLFQRSKSA-N 0 3 370.497 2.460 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000106035633 543186021 /nfs/dbraw/zinc/18/60/21/543186021.db2.gz QUJGAKTUHZKFPM-UHFFFAOYSA-N 0 3 363.414 2.139 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(-n3cnnn3)ccc2C)CC1 ZINC000106320346 543222847 /nfs/dbraw/zinc/22/28/47/543222847.db2.gz XRPYTPWHJUPTGL-UHFFFAOYSA-N 0 3 355.446 2.133 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2N2CCOCC2)CC1 ZINC000106336188 543224135 /nfs/dbraw/zinc/22/41/35/543224135.db2.gz MXQKYCNSPZUVFX-UHFFFAOYSA-N 0 3 372.513 2.363 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1 ZINC000106361120 543225928 /nfs/dbraw/zinc/22/59/28/543225928.db2.gz KWDYEWBONUSIQX-MRXNPFEDSA-N 0 3 367.559 2.481 20 30 FEEDHN Cc1ccc(CN2CCC(CNC(=O)N3CCO[C@H](C#N)C3)CC2)cc1 ZINC000106584519 543240521 /nfs/dbraw/zinc/24/05/21/543240521.db2.gz HBSNAMBRVNHTOZ-LJQANCHMSA-N 0 3 356.470 2.141 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1Cl ZINC000106786629 543246691 /nfs/dbraw/zinc/24/66/91/543246691.db2.gz OJRHOSRIYQVHFA-AWEZNQCLSA-N 0 3 360.845 2.283 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc(C#N)cn3)cc2)CC1 ZINC000107555567 543272562 /nfs/dbraw/zinc/27/25/62/543272562.db2.gz QWMNYRKWCCUGGF-UHFFFAOYSA-N 0 3 363.465 2.021 20 30 FEEDHN CC[C@H](C)[C@H](C)N(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000111226792 543386498 /nfs/dbraw/zinc/38/64/98/543386498.db2.gz LTUYIGSCOJAIOB-GJZGRUSLSA-N 0 3 373.501 2.402 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000111489022 543403531 /nfs/dbraw/zinc/40/35/31/543403531.db2.gz XOARIXORTNNJCV-GOSISDBHSA-N 0 3 370.501 2.096 20 30 FEEDHN CCCCN(C)CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114599282 543525246 /nfs/dbraw/zinc/52/52/46/543525246.db2.gz HXVGNKYNGKQSCJ-LJQANCHMSA-N 0 3 357.502 2.138 20 30 FEEDHN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000117077072 543623475 /nfs/dbraw/zinc/62/34/75/543623475.db2.gz NWJBWCSKWUNGTG-GFCCVEGCSA-N 0 3 353.850 2.300 20 30 FEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000118532628 543652772 /nfs/dbraw/zinc/65/27/72/543652772.db2.gz GKSXQEDXTQODMW-HNNXBMFYSA-N 0 3 368.481 2.055 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000119432920 543667584 /nfs/dbraw/zinc/66/75/84/543667584.db2.gz KYPQRDFKBOSHFW-HKUYNNGSSA-N 0 3 357.502 2.289 20 30 FEEDHN N#C[C@@H]1CN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCO1 ZINC000127286560 543983148 /nfs/dbraw/zinc/98/31/48/543983148.db2.gz FAWLZUVOWQMJTD-GOSISDBHSA-N 0 3 358.442 2.308 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(N2CCCNC2=O)CC1 ZINC000135433317 544346665 /nfs/dbraw/zinc/34/66/65/544346665.db2.gz HLYJQHXNPCGUOQ-IBGZPJMESA-N 0 3 373.497 2.035 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](Cc3nccn3C)C2)CC1 ZINC000139058463 544399493 /nfs/dbraw/zinc/39/94/93/544399493.db2.gz JFOLMXKSHWQRCL-KRWDZBQOSA-N 0 3 359.518 2.425 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1 ZINC000136777407 544378763 /nfs/dbraw/zinc/37/87/63/544378763.db2.gz QBBBEYFMJMBHAF-UHFFFAOYSA-N 0 3 354.454 2.471 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000150929150 544487653 /nfs/dbraw/zinc/48/76/53/544487653.db2.gz VLSIBPCAMXRJJF-SJLPKXTDSA-N 0 3 353.532 2.381 20 30 FEEDHN CC[C@@H](C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)N(C)C ZINC000151094039 544503962 /nfs/dbraw/zinc/50/39/62/544503962.db2.gz SZSIFBDQVHZPLF-SFHVURJKSA-N 0 3 368.485 2.024 20 30 FEEDHN CCN(CC)c1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1F ZINC000152253712 544630270 /nfs/dbraw/zinc/63/02/70/544630270.db2.gz IDSOVSIVJPMQQN-VHEBQXMUSA-N 0 3 360.433 2.288 20 30 FEEDHN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153319939 544760947 /nfs/dbraw/zinc/76/09/47/544760947.db2.gz SAUWTGWQDNDROA-LBPRGKRZSA-N 0 3 374.876 2.086 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000154111966 544866050 /nfs/dbraw/zinc/86/60/50/544866050.db2.gz OAFPVMLMAIMXHM-KRWDZBQOSA-N 0 3 372.513 2.423 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000154111966 544866055 /nfs/dbraw/zinc/86/60/55/544866055.db2.gz OAFPVMLMAIMXHM-KRWDZBQOSA-N 0 3 372.513 2.423 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1coc(-c2c(F)cccc2F)n1 ZINC000155100185 544989459 /nfs/dbraw/zinc/98/94/59/544989459.db2.gz PSLXUGBCEVOIKU-JTQLQIEISA-N 0 3 370.377 2.225 20 30 FEEDHN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000185222025 327906502 /nfs/dbraw/zinc/90/65/02/327906502.db2.gz KDTSZPQKSCMPKN-MRXNPFEDSA-N 0 3 358.442 2.390 20 30 FEEDHN CN(C)C1(CNS(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000553866079 674290437 /nfs/dbraw/zinc/29/04/37/674290437.db2.gz HTYPQPZVHUANEP-UHFFFAOYSA-N 0 3 372.288 2.083 20 30 FEEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NC2CCN(CC3CC3)CC2)c1 ZINC000186368286 327958899 /nfs/dbraw/zinc/95/88/99/327958899.db2.gz FBGDYFMLKBRFSQ-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)N3CCC[C@H](C)C3)CC2)o1 ZINC000189102677 328128827 /nfs/dbraw/zinc/12/88/27/328128827.db2.gz JOEASFQFWUNKHS-GJZGRUSLSA-N 0 3 373.501 2.308 20 30 FEEDHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1[C@H](C)CC[C@H]1C ZINC000191083248 328249325 /nfs/dbraw/zinc/24/93/25/328249325.db2.gz GSYFQKHWYPMIJD-OAFZBRQQSA-N 0 3 368.481 2.037 20 30 FEEDHN Cc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112549560 325789663 /nfs/dbraw/zinc/78/96/63/325789663.db2.gz DQZMBXWTCNJGEX-QMTHXVAHSA-N 0 3 358.833 2.043 20 30 FEEDHN CCN(CC)C(=O)C1(NC[C@@H](O)COc2ccc(C#N)cc2)CCCCC1 ZINC000118847262 326107112 /nfs/dbraw/zinc/10/71/12/326107112.db2.gz VOIDQQDKQGSHFM-GOSISDBHSA-N 0 3 373.497 2.459 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000245986440 328582825 /nfs/dbraw/zinc/58/28/25/328582825.db2.gz KHNQISBEWZDOAX-MCIONIFRSA-N 0 3 360.433 2.118 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000121456905 326340174 /nfs/dbraw/zinc/34/01/74/326340174.db2.gz IIIKUUQTXWVJED-INIZCTEOSA-N 0 3 372.860 2.187 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000125146595 326466156 /nfs/dbraw/zinc/46/61/56/326466156.db2.gz GBYWEQZMKSKZLX-UHFFFAOYSA-N 0 3 351.447 2.383 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150845630 326669391 /nfs/dbraw/zinc/66/93/91/326669391.db2.gz VOXFLJXUIBSZNM-KRWDZBQOSA-N 0 3 370.497 2.273 20 30 FEEDHN CN(C)Cc1cccc(CNC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000172825938 327221100 /nfs/dbraw/zinc/22/11/00/327221100.db2.gz SGZMHDYULMAVJM-UHFFFAOYSA-N 0 3 352.438 2.498 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NCc2cccc(CN(C)C)c2)c1C#N ZINC000174650809 327341544 /nfs/dbraw/zinc/34/15/44/327341544.db2.gz ZXNIHWKCUIEYIM-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN N#Cc1ccc(CNCCC(=O)N2CCN(c3ccccc3)CC2)s1 ZINC000176959008 327487267 /nfs/dbraw/zinc/48/72/67/327487267.db2.gz OLPQNWOXXSDWRK-UHFFFAOYSA-N 0 3 354.479 2.448 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000267289189 329311044 /nfs/dbraw/zinc/31/10/44/329311044.db2.gz QWOBMMPFGCJPNF-HNAYVOBHSA-N 0 3 370.478 2.142 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)N1CCC(C)CC1 ZINC000269115545 329487119 /nfs/dbraw/zinc/48/71/19/329487119.db2.gz QZNRHCBNODGNSJ-CYBMUJFWSA-N 0 3 362.861 2.387 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1N(C)C ZINC000270639247 329617636 /nfs/dbraw/zinc/61/76/36/329617636.db2.gz ITWQELBXBHOJRA-GJZGRUSLSA-N 0 3 352.891 2.128 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H](C)[C@@H](C)CO)c1C#N ZINC000273951458 329904902 /nfs/dbraw/zinc/90/49/02/329904902.db2.gz FMWLIFHUQLFJRC-GXTWGEPZSA-N 0 3 358.442 2.163 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)c(Cl)c1 ZINC000275989092 330109417 /nfs/dbraw/zinc/10/94/17/330109417.db2.gz JMEDBGPFGMCXTB-AWEZNQCLSA-N 0 3 360.845 2.237 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)N[C@H]2CCCN(CCCO)C2)cc1C#N ZINC000297125663 330194243 /nfs/dbraw/zinc/19/42/43/330194243.db2.gz PIYVFCNHWICTTQ-KRWDZBQOSA-N 0 3 360.458 2.314 20 30 FEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000158333367 545849203 /nfs/dbraw/zinc/84/92/03/545849203.db2.gz WEPCVMRGPQUMCF-MJGOQNOKSA-N 0 3 371.481 2.429 20 30 FEEDHN CCN1CCN(c2ccc(C(=O)NC3(C#N)CCSCC3)cc2)CC1 ZINC000162517196 546140566 /nfs/dbraw/zinc/14/05/66/546140566.db2.gz SUQLCOGVDOKZRS-UHFFFAOYSA-N 0 3 358.511 2.348 20 30 FEEDHN CN(CCC1CCN(c2ccncc2)CC1)S(=O)(=O)CC1(C#N)CC1 ZINC000166250971 546155680 /nfs/dbraw/zinc/15/56/80/546155680.db2.gz JQJLAGKVPGSFSY-UHFFFAOYSA-N 0 3 362.499 2.253 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479263425 561186145 /nfs/dbraw/zinc/18/61/45/561186145.db2.gz MXKZAZGREMGWLA-UHFFFAOYSA-N 0 3 356.470 2.201 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000171702279 546218998 /nfs/dbraw/zinc/21/89/98/546218998.db2.gz SPQZAJGDXKTJLV-OAHLLOKOSA-N 0 3 354.458 2.278 20 30 FEEDHN C=CCN1CCC(NC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1 ZINC000171719733 546220227 /nfs/dbraw/zinc/22/02/27/546220227.db2.gz YTFBZFOOSAQFFJ-UHFFFAOYSA-N 0 3 371.510 2.309 20 30 FEEDHN C=CCN1CCC(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1 ZINC000171718160 546220667 /nfs/dbraw/zinc/22/06/67/546220667.db2.gz MYXLQCMFWJSPNY-UHFFFAOYSA-N 0 3 372.444 2.071 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC000171737004 546222945 /nfs/dbraw/zinc/22/29/45/546222945.db2.gz HDTWPXUBWUUHIY-UHFFFAOYSA-N 0 3 366.506 2.147 20 30 FEEDHN C=CCN1CCC(NC(=O)N(CCOC)Cc2ccc(C#N)cc2)CC1 ZINC000171739283 546223513 /nfs/dbraw/zinc/22/35/13/546223513.db2.gz FYHYOTNSEVMSDY-UHFFFAOYSA-N 0 3 356.470 2.367 20 30 FEEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479403109 561189125 /nfs/dbraw/zinc/18/91/25/561189125.db2.gz XTBHRMVMSFCKGR-UWVGGRQHSA-N 0 3 367.298 2.476 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000172673260 546263767 /nfs/dbraw/zinc/26/37/67/546263767.db2.gz GMSLCTVCYZJJRC-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN CCN1CCN(c2ccc(C(=O)Nc3ccn(CCC#N)n3)cc2)CC1 ZINC000173698512 546285777 /nfs/dbraw/zinc/28/57/77/546285777.db2.gz RSKVLOBUDRRMIA-UHFFFAOYSA-N 0 3 352.442 2.191 20 30 FEEDHN C=CCOc1ccc(CNC[C@@](C)(O)CN2CCOCC2)cc1Cl ZINC000174489507 546298232 /nfs/dbraw/zinc/29/82/32/546298232.db2.gz XUZYEUQUIANBOL-GOSISDBHSA-N 0 3 354.878 2.078 20 30 FEEDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000176111257 546408564 /nfs/dbraw/zinc/40/85/64/546408564.db2.gz BBFSFYOAKKFCFJ-UHFFFAOYSA-N 0 3 374.441 2.288 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000176336377 546433446 /nfs/dbraw/zinc/43/34/46/546433446.db2.gz RLUNMGFAVUTHJY-UHFFFAOYSA-N 0 3 362.449 2.386 20 30 FEEDHN C=CCN(CC=C)C(=O)CN1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177506425 546632527 /nfs/dbraw/zinc/63/25/27/546632527.db2.gz GKOXQIRTWJXSHA-RTBURBONSA-N 0 3 363.546 2.398 20 30 FEEDHN CCCCN(C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000481068818 561224397 /nfs/dbraw/zinc/22/43/97/561224397.db2.gz DMTQJTWYHIDCIH-CQSZACIVSA-N 0 3 366.487 2.226 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000179019634 546887446 /nfs/dbraw/zinc/88/74/46/546887446.db2.gz WBWJZHHWELQNBN-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN C#CCOc1ccccc1CNCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000180351869 547089322 /nfs/dbraw/zinc/08/93/22/547089322.db2.gz IDDUCEGCDATFQF-UHFFFAOYSA-N 0 3 374.462 2.239 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000180717120 547165291 /nfs/dbraw/zinc/16/52/91/547165291.db2.gz LHJCJOMHJXCCSL-QGZVFWFLSA-N 0 3 351.491 2.402 20 30 FEEDHN C=CCNC(=O)c1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)nc1 ZINC000181144897 547258206 /nfs/dbraw/zinc/25/82/06/547258206.db2.gz MAUAJRXHAOWUFP-LJQANCHMSA-N 0 3 366.465 2.176 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CCOCC2)cc1 ZINC000483534355 561279225 /nfs/dbraw/zinc/27/92/25/561279225.db2.gz RZXMGROOLWSGSG-ZDUSSCGKSA-N 0 3 365.455 2.311 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(CCO)CCC2)cc1 ZINC000483547589 561279500 /nfs/dbraw/zinc/27/95/00/561279500.db2.gz IPJLHIDGRIBFKJ-CYBMUJFWSA-N 0 3 365.455 2.047 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(Br)cc1C ZINC000182095914 547436438 /nfs/dbraw/zinc/43/64/38/547436438.db2.gz WBNHRVLFEGPVEO-NSHDSACASA-N 0 3 360.273 2.363 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000182746698 547545218 /nfs/dbraw/zinc/54/52/18/547545218.db2.gz DCQOIQMEYIJAAN-UHFFFAOYSA-N 0 3 371.485 2.374 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](Cn4cncn4)C3)C2=O)cc1 ZINC000182790722 547552963 /nfs/dbraw/zinc/55/29/63/547552963.db2.gz AHBQWPBKFBGUPB-HKUYNNGSSA-N 0 3 364.453 2.057 20 30 FEEDHN C=CCCCN(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000182790648 547553128 /nfs/dbraw/zinc/55/31/28/547553128.db2.gz LLGANEWOSACULV-LJQANCHMSA-N 0 3 358.461 2.433 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H](CCO)C2CCCCC2)c1 ZINC000183713672 547705510 /nfs/dbraw/zinc/70/55/10/547705510.db2.gz SXBPCABCDRRACH-GOSISDBHSA-N 0 3 350.484 2.253 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000184393628 547819735 /nfs/dbraw/zinc/81/97/35/547819735.db2.gz VGQRWQONQPXZMI-GOSISDBHSA-N 0 3 372.513 2.250 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C(=O)OCC)c2cccc(C)c2C)CC1 ZINC000184437956 547826618 /nfs/dbraw/zinc/82/66/18/547826618.db2.gz XFBBYDFNVMTNHL-IBGZPJMESA-N 0 3 356.466 2.369 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000184800754 547880866 /nfs/dbraw/zinc/88/08/66/547880866.db2.gz CTCFGWHAEUYRES-ZWKOTPCHSA-N 0 3 356.470 2.184 20 30 FEEDHN COC(=O)COc1ccc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000185671599 548018418 /nfs/dbraw/zinc/01/84/18/548018418.db2.gz GNBBIMKFOVFWPJ-AUUYWEPGSA-N 0 3 354.406 2.494 20 30 FEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000186717823 548179509 /nfs/dbraw/zinc/17/95/09/548179509.db2.gz QEQMFPYCXKAJCO-ZBFHGGJFSA-N 0 3 364.467 2.346 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)CC1 ZINC000186963832 548230175 /nfs/dbraw/zinc/23/01/75/548230175.db2.gz XKNZYPWJZIPXHB-UHFFFAOYSA-N 0 3 352.438 2.224 20 30 FEEDHN COc1cc([C@H](C#N)NC(=O)CC2CCN(C)CC2)cc(OC)c1OC ZINC000486121514 561338587 /nfs/dbraw/zinc/33/85/87/561338587.db2.gz PBJQLBGUEMHUKL-HNNXBMFYSA-N 0 3 361.442 2.125 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188280261 548276948 /nfs/dbraw/zinc/27/69/48/548276948.db2.gz IPHANNYXEZEVEJ-SIKLNZKXSA-N 0 3 373.541 2.368 20 30 FEEDHN CC[C@]1(CO)CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000189674741 548307713 /nfs/dbraw/zinc/30/77/13/548307713.db2.gz GZMATNNDDLOQIE-GOSISDBHSA-N 0 3 368.399 2.410 20 30 FEEDHN C=CCN(CCOC)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000190719169 548331850 /nfs/dbraw/zinc/33/18/50/548331850.db2.gz KUNDHHKMQODOIY-UHFFFAOYSA-N 0 3 359.470 2.272 20 30 FEEDHN N#CC(C(=O)c1ccc(C(N)=O)nc1)c1nc2ccccc2n1C(F)F ZINC000194413184 548477431 /nfs/dbraw/zinc/47/74/31/548477431.db2.gz NKKSNZYRZWXUBK-JTQLQIEISA-N 0 3 355.304 2.415 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000245458104 548926583 /nfs/dbraw/zinc/92/65/83/548926583.db2.gz UTKCFNYSDHQMHV-SJORKVTESA-N 0 3 357.454 2.421 20 30 FEEDHN C=CCC[C@H](O)CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000246042420 549041032 /nfs/dbraw/zinc/04/10/32/549041032.db2.gz SBIUOBPXFCJHKZ-ROUUACIJSA-N 0 3 366.527 2.312 20 30 FEEDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cnc(C)c(C#N)c2)C1 ZINC000489248582 561406470 /nfs/dbraw/zinc/40/64/70/561406470.db2.gz GXZGJXGFOWFNKR-OAHLLOKOSA-N 0 3 364.515 2.441 20 30 FEEDHN N=C(NCC(=O)N1CCN(c2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000262260727 549803108 /nfs/dbraw/zinc/80/31/08/549803108.db2.gz GEEZVEOIVDQKEI-UHFFFAOYSA-N 0 3 373.407 2.040 20 30 FEEDHN N=C(NCc1cnc(N2CCOCC2)c(F)c1)Nc1cc(F)ccc1F ZINC000262285851 549806296 /nfs/dbraw/zinc/80/62/96/549806296.db2.gz MIJHQJLSSMWUTL-UHFFFAOYSA-N 0 3 365.359 2.262 20 30 FEEDHN C[C@H]1CN(CC2CCN(C(=O)COc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000263833555 549943447 /nfs/dbraw/zinc/94/34/47/549943447.db2.gz TUIULCQJUNGHFT-IRXDYDNUSA-N 0 3 371.481 2.285 20 30 FEEDHN C=CCc1cc(C(=O)N(CCOC)CCN(C)C)cc(OC)c1OC ZINC000264224709 549993281 /nfs/dbraw/zinc/99/32/81/549993281.db2.gz WTNZLSZXDOGNGD-UHFFFAOYSA-N 0 3 350.459 2.083 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCc2ccn(-c3ccccc3)n2)CC1 ZINC000264365464 549994472 /nfs/dbraw/zinc/99/44/72/549994472.db2.gz PPNFGJYSGASZOG-UHFFFAOYSA-N 0 3 353.470 2.364 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000264526862 549997442 /nfs/dbraw/zinc/99/74/42/549997442.db2.gz YPTJTZWAKNIMND-GOSISDBHSA-N 0 3 373.522 2.358 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCNC(=O)c2ccc(C)cc2)CC1 ZINC000264906128 550003422 /nfs/dbraw/zinc/00/34/22/550003422.db2.gz YFHOLEOSCZLCDL-UHFFFAOYSA-N 0 3 358.486 2.065 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(CN3CCOCC3)ccc2C)CC1 ZINC000265656211 550013288 /nfs/dbraw/zinc/01/32/88/550013288.db2.gz YSHRCMHCWSOCFZ-UHFFFAOYSA-N 0 3 355.482 2.111 20 30 FEEDHN Cc1ccccc1CNC(=O)CON=C(N)c1ccc(CN(C)C)cc1 ZINC000266999936 550026443 /nfs/dbraw/zinc/02/64/43/550026443.db2.gz GOPGMVIDOHNPOJ-UHFFFAOYSA-N 0 3 354.454 2.010 20 30 FEEDHN C[C@H](C1CC1)N(C(=O)CON=C(N)c1ccc(CN(C)C)cc1)C1CC1 ZINC000267132661 550027730 /nfs/dbraw/zinc/02/77/30/550027730.db2.gz FBCCLFFFBDWPQQ-CQSZACIVSA-N 0 3 358.486 2.175 20 30 FEEDHN CCN1CCN(CCCCNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269687852 550216876 /nfs/dbraw/zinc/21/68/76/550216876.db2.gz NVTZIMBBJZQFBE-UHFFFAOYSA-N 0 3 369.513 2.264 20 30 FEEDHN C=C(C)[C@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)OCC ZINC000270049555 550245722 /nfs/dbraw/zinc/24/57/22/550245722.db2.gz QWGZLRDGKFBCJP-FQEVSTJZSA-N 0 3 359.514 2.422 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2CC(=O)NCC)CC1 ZINC000493784821 561458272 /nfs/dbraw/zinc/45/82/72/561458272.db2.gz IGJJOECYPULAIS-KRWDZBQOSA-N 0 3 350.507 2.117 20 30 FEEDHN N#Cc1ccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000270572734 550284782 /nfs/dbraw/zinc/28/47/82/550284782.db2.gz BUPDJVMQBKEWNS-NHCUHLMSSA-N 0 3 363.461 2.100 20 30 FEEDHN C[C@H](NC(=O)NCc1ccnc(OCCN(C)C)c1)c1ccc(C#N)cc1 ZINC000270578634 550285804 /nfs/dbraw/zinc/28/58/04/550285804.db2.gz PHYUNKDHYWKKKF-HNNXBMFYSA-N 0 3 367.453 2.454 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](CO)c2ccccc2Cl)CC1 ZINC000494120494 561462910 /nfs/dbraw/zinc/46/29/10/561462910.db2.gz RJPCWENGQAAXRZ-AWEZNQCLSA-N 0 3 351.878 2.366 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000272878404 550474919 /nfs/dbraw/zinc/47/49/19/550474919.db2.gz QDHGKCDCWXVDBF-HOCLYGCPSA-N 0 3 352.456 2.496 20 30 FEEDHN N#Cc1ccc(/C=C/C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 ZINC000273135082 550486791 /nfs/dbraw/zinc/48/67/91/550486791.db2.gz SGTXPCUSWMAWDP-LCCNJJIFSA-N 0 3 361.445 2.454 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1N1CCCC1 ZINC000274012238 550519697 /nfs/dbraw/zinc/51/96/97/550519697.db2.gz KZGYSKMJYHXUER-JCGIZDLHSA-N 0 3 358.511 2.397 20 30 FEEDHN N#Cc1cccc(CN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)c1 ZINC000274277044 550530936 /nfs/dbraw/zinc/53/09/36/550530936.db2.gz AKKXLHMGXGOWEK-NRFANRHFSA-N 0 3 360.417 2.255 20 30 FEEDHN C=CC[C@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000275351364 550572031 /nfs/dbraw/zinc/57/20/31/550572031.db2.gz SEIAKFQZIYYSOF-RBUKOAKNSA-N 0 3 357.498 2.405 20 30 FEEDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000275876429 550575014 /nfs/dbraw/zinc/57/50/14/550575014.db2.gz DDDDXYCIBAAXNZ-UHFFFAOYSA-N 0 3 360.458 2.108 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000275895671 550575127 /nfs/dbraw/zinc/57/51/27/550575127.db2.gz QFNXLVFHIMNLJX-GJZGRUSLSA-N 0 3 372.469 2.105 20 30 FEEDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000275990189 550575733 /nfs/dbraw/zinc/57/57/33/550575733.db2.gz QFMDPTNORBVHLB-MRXNPFEDSA-N 0 3 374.485 2.496 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000276370689 550578115 /nfs/dbraw/zinc/57/81/15/550578115.db2.gz GYEXFYYFLXLYEH-UHFFFAOYSA-N 0 3 358.486 2.110 20 30 FEEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)N(C)CC(F)(F)F ZINC000277279019 550651355 /nfs/dbraw/zinc/65/13/55/550651355.db2.gz CCGQZQGCIMAHCP-CQSZACIVSA-N 0 3 370.419 2.331 20 30 FEEDHN CC(C)(C)OC(=O)NCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278604679 550803527 /nfs/dbraw/zinc/80/35/27/550803527.db2.gz IEGXPTMPBGPRPE-UHFFFAOYSA-N 0 3 370.457 2.473 20 30 FEEDHN N#CCCn1cc(CN2CCC(C3OCCO3)CC2)c(-c2ccncc2)n1 ZINC000279370668 550882415 /nfs/dbraw/zinc/88/24/15/550882415.db2.gz IVKLAKAIDNGFIH-UHFFFAOYSA-N 0 3 367.453 2.444 20 30 FEEDHN CCCNC(=O)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279608494 550908181 /nfs/dbraw/zinc/90/81/81/550908181.db2.gz SXSASEUJERXMNP-ROUUACIJSA-N 0 3 352.438 2.005 20 30 FEEDHN C[C@H](N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000280238455 550973883 /nfs/dbraw/zinc/97/38/83/550973883.db2.gz BIKYSMUPCDBDRC-XJKSGUPXSA-N 0 3 364.371 2.336 20 30 FEEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H](CC(N)=O)c1ccccc1 ZINC000280648743 551017138 /nfs/dbraw/zinc/01/71/38/551017138.db2.gz YWUURIPONSKNSI-KRWDZBQOSA-N 0 3 353.422 2.494 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000281133826 551066862 /nfs/dbraw/zinc/06/68/62/551066862.db2.gz GXWPHPGGEIABRQ-ARFHVFGLSA-N 0 3 365.355 2.402 20 30 FEEDHN CC[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CC(F)F ZINC000281473683 551101749 /nfs/dbraw/zinc/10/17/49/551101749.db2.gz GUHZWHSGCDUVIU-IRXDYDNUSA-N 0 3 360.408 2.428 20 30 FEEDHN C[C@@](O)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000281763678 551140447 /nfs/dbraw/zinc/14/04/47/551140447.db2.gz YZLYKMGFERJPLR-OXQOHEQNSA-N 0 3 351.381 2.404 20 30 FEEDHN C=CCn1c(-c2cccn2C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000282404094 551223945 /nfs/dbraw/zinc/22/39/45/551223945.db2.gz WTQKIMCPQQURHY-UHFFFAOYSA-N 0 3 370.501 2.018 20 30 FEEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000282893131 551282433 /nfs/dbraw/zinc/28/24/33/551282433.db2.gz DSPRTQFAQARAFG-HNNXBMFYSA-N 0 3 352.504 2.049 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000284480594 551558710 /nfs/dbraw/zinc/55/87/10/551558710.db2.gz XEHXIUJOIUGGQH-UHFFFAOYSA-N 0 3 369.387 2.088 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000498368747 561523600 /nfs/dbraw/zinc/52/36/00/561523600.db2.gz CGSHSJLQLFZXFN-QZTJIDSGSA-N 0 3 351.454 2.468 20 30 FEEDHN CCCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)[N-]C(C)(C)C)cc1 ZINC000284626251 551593457 /nfs/dbraw/zinc/59/34/57/551593457.db2.gz ZXHTVQCLOAEWKR-UHFFFAOYSA-O 0 3 360.507 2.382 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000284651366 551599294 /nfs/dbraw/zinc/59/92/94/551599294.db2.gz XTLUJGGMVWFUFY-LJQANCHMSA-N 0 3 355.482 2.329 20 30 FEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000284761662 551626674 /nfs/dbraw/zinc/62/66/74/551626674.db2.gz GWNNWTFCTOGHRB-FQELHTAISA-N 0 3 366.465 2.445 20 30 FEEDHN CCOc1ccc(O)c(/C=N\C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000285290691 551732690 /nfs/dbraw/zinc/73/26/90/551732690.db2.gz IVXRVWLEHASKQJ-PEEGHXIXSA-N 0 3 359.470 2.293 20 30 FEEDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(C#N)cc1 ZINC000285361327 551744017 /nfs/dbraw/zinc/74/40/17/551744017.db2.gz QHTZIIMBMQBKSD-KRWDZBQOSA-N 0 3 355.394 2.381 20 30 FEEDHN CN(CCCN(C)Cc1ccco1)CC(=O)NCc1ccc(C#N)cc1 ZINC000285526453 551770008 /nfs/dbraw/zinc/77/00/08/551770008.db2.gz FDGYOVJVECKYGC-UHFFFAOYSA-N 0 3 354.454 2.221 20 30 FEEDHN CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCCN(C)C1 ZINC000285570021 551776157 /nfs/dbraw/zinc/77/61/57/551776157.db2.gz HPXVVSCBMOQKMI-QGZVFWFLSA-N 0 3 358.461 2.466 20 30 FEEDHN CCOc1ccc(O)c(/C=N/C(CS(=O)(=O)N(C)C)C(F)(F)F)c1 ZINC000285582131 551778276 /nfs/dbraw/zinc/77/82/76/551778276.db2.gz SQHZBAVGZVEMHM-VFJJTOLMSA-N 0 3 368.377 2.032 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(Cc2ccco2)Cc2ccco2)CC1 ZINC000286376020 551880381 /nfs/dbraw/zinc/88/03/81/551880381.db2.gz CRONPLCXUOJWAV-UHFFFAOYSA-N 0 3 371.437 2.168 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)CC1 ZINC000286825000 551930059 /nfs/dbraw/zinc/93/00/59/551930059.db2.gz WSSLQJYFJOBNRO-WBVHZDCISA-N 0 3 359.470 2.346 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000286837695 551931850 /nfs/dbraw/zinc/93/18/50/551931850.db2.gz XVXBESZHYHWTDG-UYAOXDASSA-N 0 3 369.509 2.281 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000287041938 551955362 /nfs/dbraw/zinc/95/53/62/551955362.db2.gz GHVFAFOUSCEWDP-TZMCWYRMSA-N 0 3 365.455 2.451 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287077572 551960864 /nfs/dbraw/zinc/96/08/64/551960864.db2.gz KKDIIVWNVAHPSY-LRDDRELGSA-N 0 3 360.845 2.235 20 30 FEEDHN CC[C@H](C)N(CCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000287233657 551979557 /nfs/dbraw/zinc/97/95/57/551979557.db2.gz GAZJMFJZIRSEHL-AWEZNQCLSA-N 0 3 356.388 2.266 20 30 FEEDHN CC(C)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1nc(-c2nc[n-]n2)no1 ZINC000499627931 561554918 /nfs/dbraw/zinc/55/49/18/561554918.db2.gz WBRFXLXPWGFYON-CYBMUJFWSA-N 0 3 359.434 2.242 20 30 FEEDHN CC(C)[C@@H](NCCCC1(C#N)CCOCC1)c1nc(-c2nc[nH]n2)no1 ZINC000499627931 561554919 /nfs/dbraw/zinc/55/49/19/561554919.db2.gz WBRFXLXPWGFYON-CYBMUJFWSA-N 0 3 359.434 2.242 20 30 FEEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288476206 552159883 /nfs/dbraw/zinc/15/98/83/552159883.db2.gz PAVWNNCTXUAVMP-DJIMGWMZSA-N 0 3 356.445 2.219 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000289209704 552283427 /nfs/dbraw/zinc/28/34/27/552283427.db2.gz BWGUSDAISSNBNJ-INIZCTEOSA-N 0 3 368.481 2.063 20 30 FEEDHN CO[C@H]1COC[C@@H]1NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000290219924 552444332 /nfs/dbraw/zinc/44/43/32/552444332.db2.gz WHKRRQZXLPEXRC-GJZGRUSLSA-N 0 3 363.483 2.221 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)Nc2ccc(C#N)c(F)c2)ccn1 ZINC000290246926 552447701 /nfs/dbraw/zinc/44/77/01/552447701.db2.gz TUZDOKKMHDTNMG-UHFFFAOYSA-N 0 3 357.389 2.354 20 30 FEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000290288104 552454583 /nfs/dbraw/zinc/45/45/83/552454583.db2.gz ASIZVHQHBSUVLA-FGZHOGPDSA-N 0 3 362.473 2.210 20 30 FEEDHN N#Cc1ncccc1N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000290469381 552483969 /nfs/dbraw/zinc/48/39/69/552483969.db2.gz AJCYVPRFDDXIFN-GOSISDBHSA-N 0 3 362.481 2.387 20 30 FEEDHN CC(C)OCc1nc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)no1 ZINC000291189066 552598039 /nfs/dbraw/zinc/59/80/39/552598039.db2.gz ISCLUZGWSNHVAR-XJKSGUPXSA-N 0 3 367.409 2.426 20 30 FEEDHN C=CCN1CCC(NC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000291904262 552673450 /nfs/dbraw/zinc/67/34/50/552673450.db2.gz ZWXSYSVSBOYQCL-UHFFFAOYSA-N 0 3 365.275 2.497 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](n3cccn3)C2)c(OC)c1 ZINC000292014065 552684773 /nfs/dbraw/zinc/68/47/73/552684773.db2.gz XXUXJAWFWXBIMH-ZWKOTPCHSA-N 0 3 357.454 2.307 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(CCC(=O)Nc3ccccc3C#N)C2)nc1 ZINC000292212489 552705281 /nfs/dbraw/zinc/70/52/81/552705281.db2.gz OLZRAKQGEXOOMM-KRWDZBQOSA-N 0 3 361.405 2.307 20 30 FEEDHN CC(C)[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCC1 ZINC000293238669 552802133 /nfs/dbraw/zinc/80/21/33/552802133.db2.gz YULKXLNNVISGPO-KRWDZBQOSA-N 0 3 350.484 2.109 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(-c2ccncc2)ccc1C ZINC000293529592 552832646 /nfs/dbraw/zinc/83/26/46/552832646.db2.gz ZTTLMAUXEDUMHI-UHFFFAOYSA-N 0 3 364.449 2.067 20 30 FEEDHN CN(CCCN(C)C(=O)C(=O)Nc1sccc1C#N)Cc1ccco1 ZINC000293701813 552848477 /nfs/dbraw/zinc/84/84/77/552848477.db2.gz MDWOJCDUVYXOSU-UHFFFAOYSA-N 0 3 360.439 2.132 20 30 FEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000293827941 552860333 /nfs/dbraw/zinc/86/03/33/552860333.db2.gz PMRAOISSFNOQPD-INIZCTEOSA-N 0 3 367.449 2.459 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000293953164 552870292 /nfs/dbraw/zinc/87/02/92/552870292.db2.gz KFJZMXLIQDAIOR-UHFFFAOYSA-N 0 3 353.253 2.255 20 30 FEEDHN C=CCN(CC=C)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000294983542 552949267 /nfs/dbraw/zinc/94/92/67/552949267.db2.gz SQOPRVYVTLROPT-INIZCTEOSA-N 0 3 351.491 2.424 20 30 FEEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC000296233634 553126828 /nfs/dbraw/zinc/12/68/28/553126828.db2.gz CDVVLDJHTCYNCO-XJKSGUPXSA-N 0 3 359.875 2.018 20 30 FEEDHN C[C@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@H]1N(C)C ZINC000297274895 553272089 /nfs/dbraw/zinc/27/20/89/553272089.db2.gz GLFGKOFFPABKBJ-WCQYABFASA-N 0 3 362.499 2.264 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000297615649 553316187 /nfs/dbraw/zinc/31/61/87/553316187.db2.gz KBNMFQSHHIDCJA-UHFFFAOYSA-N 0 3 358.417 2.278 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C(=O)N(C)C)CC1)C(C)C ZINC000503410639 561640788 /nfs/dbraw/zinc/64/07/88/561640788.db2.gz XMIPPDLZCYULGF-GOSISDBHSA-N 0 3 364.534 2.195 20 30 FEEDHN C#CCN1CCC(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000299052794 553508707 /nfs/dbraw/zinc/50/87/07/553508707.db2.gz PQFWXGUEFWBRGX-UHFFFAOYSA-N 0 3 368.403 2.364 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC1 ZINC000299163971 553523950 /nfs/dbraw/zinc/52/39/50/553523950.db2.gz SIBUPRKYUDDIRO-UHFFFAOYSA-N 0 3 368.525 2.421 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N(C)C ZINC000299165491 553524063 /nfs/dbraw/zinc/52/40/63/553524063.db2.gz FPBHSLZBALJRRE-CQSZACIVSA-N 0 3 366.421 2.355 20 30 FEEDHN CS[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1N1CCCC1 ZINC000299377014 553555310 /nfs/dbraw/zinc/55/53/10/553555310.db2.gz QOXYEFHRRAJOTR-CEXWTWQISA-N 0 3 370.522 2.175 20 30 FEEDHN N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000301326244 553642388 /nfs/dbraw/zinc/64/23/88/553642388.db2.gz AWUHTNRJBZJSME-LJQANCHMSA-N 0 3 370.478 2.455 20 30 FEEDHN C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)N1CCc2ccccc2C1 ZINC000301364861 553645484 /nfs/dbraw/zinc/64/54/84/553645484.db2.gz RUCVFQRPQFYQTB-CQSZACIVSA-N 0 3 370.478 2.064 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000327624612 553790015 /nfs/dbraw/zinc/79/00/15/553790015.db2.gz OCLYEGPCMKHZPN-GDBMZVCRSA-N 0 3 358.360 2.077 20 30 FEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000328660343 553803628 /nfs/dbraw/zinc/80/36/28/553803628.db2.gz VFMOJBCONLAQFA-CJNGLKHVSA-N 0 3 371.437 2.004 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000328723708 553812514 /nfs/dbraw/zinc/81/25/14/553812514.db2.gz SJSCRSIXVWHTOH-NVXWUHKLSA-N 0 3 356.470 2.043 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)c3cn4c(n3)CCCC4)cc2)CC1 ZINC000328734151 553814189 /nfs/dbraw/zinc/81/41/89/553814189.db2.gz YKOZGYYRXSOMAU-UHFFFAOYSA-N 0 3 367.497 2.472 20 30 FEEDHN C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)N1CCC[C@@H](C)C1 ZINC000505786466 561680842 /nfs/dbraw/zinc/68/08/42/561680842.db2.gz AOKNVVABLOWKRG-SPYBWZPUSA-N 0 3 351.491 2.485 20 30 FEEDHN CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000328772848 553820146 /nfs/dbraw/zinc/82/01/46/553820146.db2.gz BIYHYCGHZMZUQH-MRXNPFEDSA-N 0 3 357.520 2.164 20 30 FEEDHN Cc1cc(=O)c(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)cn1C1CC1 ZINC000328780904 553821263 /nfs/dbraw/zinc/82/12/63/553821263.db2.gz MRDOZEJBLOAGIT-OAHLLOKOSA-N 0 3 359.470 2.297 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978062 553857340 /nfs/dbraw/zinc/85/73/40/553857340.db2.gz QQWJUZWWWLLRKD-VCBZYWHSSA-N 0 3 362.426 2.255 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCO[C@H](c3nc(C)cs3)C2)CC1 ZINC000328978973 553857940 /nfs/dbraw/zinc/85/79/40/553857940.db2.gz CRLUFDRRGBTPKC-HNNXBMFYSA-N 0 3 352.504 2.266 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)CCN1C ZINC000328992359 553860457 /nfs/dbraw/zinc/86/04/57/553860457.db2.gz DMFXRKWTHDJCGE-LFEHRJTNSA-N 0 3 359.470 2.242 20 30 FEEDHN Cc1nnnn1-c1cccc(NC(=O)N2CCCC23CCN(C)CC3)c1 ZINC000329045023 553870746 /nfs/dbraw/zinc/87/07/46/553870746.db2.gz FMFFQKGIHGUREK-UHFFFAOYSA-N 0 3 355.446 2.076 20 30 FEEDHN C[C@@H](CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1)N(C)C1CC1 ZINC000329126718 553885397 /nfs/dbraw/zinc/88/53/97/553885397.db2.gz UKFLNGCRDAFJTK-HNNXBMFYSA-N 0 3 350.507 2.108 20 30 FEEDHN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000329144295 553888621 /nfs/dbraw/zinc/88/86/21/553888621.db2.gz MVQBJYPSMXBKAZ-PBHICJAKSA-N 0 3 363.506 2.056 20 30 FEEDHN CN(CC1CCN(C)CC1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329167312 553893892 /nfs/dbraw/zinc/89/38/92/553893892.db2.gz IJJNMQDGUHRIOK-MRXNPFEDSA-N 0 3 350.507 2.108 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CCN1C ZINC000329195269 553899865 /nfs/dbraw/zinc/89/98/65/553899865.db2.gz VHIKSNBDLUOQCR-BFYDXBDKSA-N 0 3 350.507 2.249 20 30 FEEDHN CC(C)N1CCCN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329196276 553900037 /nfs/dbraw/zinc/90/00/37/553900037.db2.gz VSLNMCICNFOHAC-INIZCTEOSA-N 0 3 350.507 2.250 20 30 FEEDHN CC1(C)CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@@H]1O ZINC000329245762 553909990 /nfs/dbraw/zinc/90/99/90/553909990.db2.gz QTECNVFLRBCULP-HNNXBMFYSA-N 0 3 355.548 2.355 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000329264236 553913747 /nfs/dbraw/zinc/91/37/47/553913747.db2.gz BUCPQHYLVAKFDD-NUJGCVRESA-N 0 3 370.497 2.336 20 30 FEEDHN CS(=O)(=O)C1(CNC(=O)N2CCC(N3CCCCC3)CC2)CCCC1 ZINC000329278709 553916568 /nfs/dbraw/zinc/91/65/68/553916568.db2.gz DBQZHFYOROURPB-UHFFFAOYSA-N 0 3 371.547 2.208 20 30 FEEDHN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1)CN1CCN(C)CC1 ZINC000329297563 553920479 /nfs/dbraw/zinc/92/04/79/553920479.db2.gz PCQSQQFXIPZNBX-AEFFLSMTSA-N 0 3 364.534 2.008 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(C4CC4)C3)C2)c(F)c1 ZINC000329307649 553922814 /nfs/dbraw/zinc/92/28/14/553922814.db2.gz PTOYSHXUCVRZAK-JKSUJKDBSA-N 0 3 371.460 2.406 20 30 FEEDHN C[C@H](NC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O)C1=CCN(C)CC1 ZINC000329331183 553926403 /nfs/dbraw/zinc/92/64/03/553926403.db2.gz ZJLXVUKEYDKYDQ-MAUKXSAKSA-N 0 3 356.470 2.288 20 30 FEEDHN O=C(NCCC1(O)CCOCC1)N1CCN(CC2CCCCC2)CC1 ZINC000329349490 553930200 /nfs/dbraw/zinc/93/02/00/553930200.db2.gz SRNWBOZWSIPWPW-UHFFFAOYSA-N 0 3 353.507 2.030 20 30 FEEDHN CN(CC1(O)CCC1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000329542929 553965067 /nfs/dbraw/zinc/96/50/67/553965067.db2.gz YAKPTHYHGGLBHK-UHFFFAOYSA-N 0 3 355.548 2.499 20 30 FEEDHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000329569213 553968528 /nfs/dbraw/zinc/96/85/28/553968528.db2.gz LVZFJDHBTZEWIW-ZWKOTPCHSA-N 0 3 364.534 2.355 20 30 FEEDHN CS[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1N1CCCC1 ZINC000329617180 553977104 /nfs/dbraw/zinc/97/71/04/553977104.db2.gz QBISQLOKYYXHKF-IAGOWNOFSA-N 0 3 364.559 2.183 20 30 FEEDHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000329667918 553985018 /nfs/dbraw/zinc/98/50/18/553985018.db2.gz RTTYVHLRRZXALM-HIFRSBDPSA-N 0 3 374.441 2.476 20 30 FEEDHN CC(C)N1CC[C@H](NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1=O ZINC000329715327 553994224 /nfs/dbraw/zinc/99/42/24/553994224.db2.gz UVPALZVWISRQHI-NJAFHUGGSA-N 0 3 358.486 2.335 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C[C@H]1N(C)C ZINC000507087639 561717145 /nfs/dbraw/zinc/71/71/45/561717145.db2.gz PPLCSKPBGPQKCG-MSOLQXFVSA-N 0 3 369.494 2.170 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000329795539 554007480 /nfs/dbraw/zinc/00/74/80/554007480.db2.gz DAYUANUEIVIUJN-GASCZTMLSA-N 0 3 372.469 2.428 20 30 FEEDHN CC[C@@H](CNC(=O)N1CCCN(CC)C(=O)C1)N1CCc2ccccc2C1 ZINC000329829288 554014381 /nfs/dbraw/zinc/01/43/81/554014381.db2.gz DPQPLEJOLSWYFL-IBGZPJMESA-N 0 3 372.513 2.292 20 30 FEEDHN CCN1CCC(NC(=O)CN2CCO[C@@H](c3nnc(C(C)C)o3)C2)CC1 ZINC000329893436 554025820 /nfs/dbraw/zinc/02/58/20/554025820.db2.gz AQIREDDUQSYIFD-OAHLLOKOSA-N 0 3 365.478 2.007 20 30 FEEDHN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)CN2[C@H](C)CC[C@H]2C)no1 ZINC000329978416 554042676 /nfs/dbraw/zinc/04/26/76/554042676.db2.gz HMZTZVAHKGLJSV-UXOAXIEHSA-N 0 3 353.442 2.120 20 30 FEEDHN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)CCO2)o1 ZINC000329981196 554043372 /nfs/dbraw/zinc/04/33/72/554043372.db2.gz MUGOPOVFJQICSL-NFAWXSAZSA-N 0 3 363.462 2.106 20 30 FEEDHN CC1(C)CN(C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@]2(CCOC2)O1 ZINC000330001302 554047641 /nfs/dbraw/zinc/04/76/41/554047641.db2.gz XUPZIAPOVANHPL-LPHOPBHVSA-N 0 3 351.491 2.187 20 30 FEEDHN CC(=O)N[C@@H](C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C1CCCC1 ZINC000330124363 554068902 /nfs/dbraw/zinc/06/89/02/554068902.db2.gz BBFCBMDQHIUFQL-KBXCAEBGSA-N 0 3 351.491 2.233 20 30 FEEDHN CCN1CCC(NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)CC1 ZINC000330223531 554088122 /nfs/dbraw/zinc/08/81/22/554088122.db2.gz AGULEHDSRRPKFQ-GOSISDBHSA-N 0 3 353.507 2.435 20 30 FEEDHN C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1nccs1 ZINC000330228961 554089462 /nfs/dbraw/zinc/08/94/62/554089462.db2.gz PXJDLAAOLUDYGL-KBPBESRZSA-N 0 3 352.504 2.346 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)N1CC(=O)N(C)[C@H](C)C1)c1ccsc1 ZINC000330412706 554118162 /nfs/dbraw/zinc/11/81/62/554118162.db2.gz MCOYQWMVBOBRDK-UKRRQHHQSA-N 0 3 352.504 2.208 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)N1CC(=O)N(C)[C@@H](C)C1)c1ccsc1 ZINC000330412705 554118185 /nfs/dbraw/zinc/11/81/85/554118185.db2.gz MCOYQWMVBOBRDK-DZGCQCFKSA-N 0 3 352.504 2.208 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000330588414 554142058 /nfs/dbraw/zinc/14/20/58/554142058.db2.gz YUWLLHFCSIUFLW-GUYCJALGSA-N 0 3 353.463 2.189 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)CC)CC1 ZINC000330663624 554153488 /nfs/dbraw/zinc/15/34/88/554153488.db2.gz VFZPDQMCZWYOEB-GOEBONIOSA-N 0 3 353.532 2.091 20 30 FEEDHN CS[C@@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@@H]1N(C)C ZINC000330721262 554163346 /nfs/dbraw/zinc/16/33/46/554163346.db2.gz XJOABFXLFPKNOD-JKSUJKDBSA-N 0 3 350.488 2.476 20 30 FEEDHN COCCn1nc(C)c(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)c1C ZINC000330829527 554176737 /nfs/dbraw/zinc/17/67/37/554176737.db2.gz GNYRXNCTBJEOHR-CQSZACIVSA-N 0 3 351.495 2.354 20 30 FEEDHN COCCN1CC[C@H](NC(=O)NCc2ccc(Br)s2)C1 ZINC000330844036 554178364 /nfs/dbraw/zinc/17/83/64/554178364.db2.gz OEKSEYPQBGXOBO-JTQLQIEISA-N 0 3 362.293 2.235 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000330913672 554187593 /nfs/dbraw/zinc/18/75/93/554187593.db2.gz RRRSAARUGJIXMX-QLFBSQMISA-N 0 3 367.490 2.483 20 30 FEEDHN CNC(=O)c1cccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)c1C ZINC000331261602 554238164 /nfs/dbraw/zinc/23/81/64/554238164.db2.gz CEEYTZGNBOMQMH-UHFFFAOYSA-N 0 3 361.490 2.281 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1N1CCCC1 ZINC000331526100 554280343 /nfs/dbraw/zinc/28/03/43/554280343.db2.gz FWSMGJAUKGHDHR-JCGIZDLHSA-N 0 3 358.511 2.397 20 30 FEEDHN Cc1onc(CC(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000331643869 554301244 /nfs/dbraw/zinc/30/12/44/554301244.db2.gz PVEGAEDTNDCROD-GJZGRUSLSA-N 0 3 374.485 2.135 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1C(F)(F)F ZINC000332302076 554420836 /nfs/dbraw/zinc/42/08/36/554420836.db2.gz KWPYXYWMAGZOJY-GJZGRUSLSA-N 0 3 373.400 2.482 20 30 FEEDHN CC(C#N)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000510421980 561834085 /nfs/dbraw/zinc/83/40/85/561834085.db2.gz ZTRQBYDCPHCPGS-DOMZBBRYSA-N 0 3 355.360 2.355 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000334078396 554675622 /nfs/dbraw/zinc/67/56/22/554675622.db2.gz KOQGAPPHDBQADK-RWQQGDIJSA-N 0 3 365.518 2.251 20 30 FEEDHN COc1ccccc1CC(=O)N1CCCN(CCCSCC#N)CC1 ZINC000360505807 554877547 /nfs/dbraw/zinc/87/75/47/554877547.db2.gz ZZAAXSUOTCWQIX-UHFFFAOYSA-N 0 3 361.511 2.419 20 30 FEEDHN O[C@@H]1CCC[C@@H]1N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000362154151 554952661 /nfs/dbraw/zinc/95/26/61/554952661.db2.gz ICDZCWAQCSNKPM-ZWKOTPCHSA-N 0 3 368.399 2.468 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511624341 561875097 /nfs/dbraw/zinc/87/50/97/561875097.db2.gz CEBXSLYLQBHBEV-VXGBXAGGSA-N 0 3 361.389 2.441 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@]2(O)CCCc3ccc(OC)cc32)CC1 ZINC000362388669 554968374 /nfs/dbraw/zinc/96/83/74/554968374.db2.gz HCSIHPDYWUPMIN-OAQYLSRUSA-N 0 3 373.497 2.169 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1C(=O)NC1CC1)C(C)C ZINC000362473554 554974522 /nfs/dbraw/zinc/97/45/22/554974522.db2.gz NNOGFJQRXWZUDD-ZWKOTPCHSA-N 0 3 362.518 2.138 20 30 FEEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H]3CN3CCC[C@H]3CO)o2)cc1 ZINC000362814564 554990411 /nfs/dbraw/zinc/99/04/11/554990411.db2.gz OFXHGBDXJJTHNU-ROUUACIJSA-N 0 3 367.453 2.029 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000362944714 555001500 /nfs/dbraw/zinc/00/15/00/555001500.db2.gz HZRXCGNSDZBYLO-UHFFFAOYSA-N 0 3 354.458 2.107 20 30 FEEDHN C=CCN(CC(=O)NCc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363184554 555047959 /nfs/dbraw/zinc/04/79/59/555047959.db2.gz ATMMFNLMYSRARM-OAQYLSRUSA-N 0 3 364.493 2.460 20 30 FEEDHN CO/N=C/c1ccc(C(=O)N2CCC(CCN3CCN(C)CC3)CC2)cc1 ZINC000363344340 555081991 /nfs/dbraw/zinc/08/19/91/555081991.db2.gz BZZSPMFAQIIXIS-OQKWZONESA-N 0 3 372.513 2.157 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000363424116 555102408 /nfs/dbraw/zinc/10/24/08/555102408.db2.gz OSVXWEXWXJLWKZ-LSTHTHJFSA-N 0 3 355.482 2.496 20 30 FEEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2c(cnn2C)c1[O-])C(C)C ZINC000512109278 561892644 /nfs/dbraw/zinc/89/26/44/561892644.db2.gz IVNDSOLDKUWRKF-INIZCTEOSA-N 0 3 357.458 2.102 20 30 FEEDHN Cn1cc(C#N)cc1C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000363725001 555172353 /nfs/dbraw/zinc/17/23/53/555172353.db2.gz PANLRTIGBJRPKK-UHFFFAOYSA-N 0 3 352.438 2.278 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3c(F)cc(C#N)cc3F)C2)CC1 ZINC000363921904 555214423 /nfs/dbraw/zinc/21/44/23/555214423.db2.gz PGLOANURLILGRO-OAHLLOKOSA-N 0 3 362.424 2.077 20 30 FEEDHN C=CCN(CC=C)C(=O)CN(C)C1CCN(CCc2ccncc2)CC1 ZINC000364033323 555237089 /nfs/dbraw/zinc/23/70/89/555237089.db2.gz LNQNJZCJTAUOKQ-UHFFFAOYSA-N 0 3 356.514 2.221 20 30 FEEDHN C=CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364277351 555283119 /nfs/dbraw/zinc/28/31/19/555283119.db2.gz AQXPTIYVBGYRPH-RTBURBONSA-N 0 3 370.497 2.079 20 30 FEEDHN COCc1nccc([C@@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000364406237 555307394 /nfs/dbraw/zinc/30/73/94/555307394.db2.gz RTZCAFNFMUGKPA-MJGOQNOKSA-N 0 3 352.438 2.408 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](C(=O)OC)c3ccccc32)CC1 ZINC000364649937 555362963 /nfs/dbraw/zinc/36/29/63/555362963.db2.gz TVWWAIZNZCSAFI-QZTJIDSGSA-N 0 3 357.454 2.338 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000512745852 561914021 /nfs/dbraw/zinc/91/40/21/561914021.db2.gz XBDAJIPYKHBOPL-DOTOQJQBSA-N 0 3 361.511 2.448 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000365336493 555546620 /nfs/dbraw/zinc/54/66/20/555546620.db2.gz MXYVGVVWHDININ-LZQZEXGQSA-N 0 3 356.470 2.247 20 30 FEEDHN C[C@@H](N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013880 555727192 /nfs/dbraw/zinc/72/71/92/555727192.db2.gz YNCDNSXYRWUETR-NVXWUHKLSA-N 0 3 362.905 2.269 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3[C@H](C(N)=O)C[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000366090818 555748797 /nfs/dbraw/zinc/74/87/97/555748797.db2.gz ZBGMEGCSUNKIBD-WNHJNPCNSA-N 0 3 366.465 2.172 20 30 FEEDHN N#CCC1(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000366607623 555888964 /nfs/dbraw/zinc/88/89/64/555888964.db2.gz KIHSSFCJORLDQI-GOSISDBHSA-N 0 3 356.470 2.271 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)O[C@]3(CCCOC3)C2)CC1 ZINC000366732517 555920946 /nfs/dbraw/zinc/92/09/46/555920946.db2.gz XAIRFEKTBHWNHN-HXUWFJFHSA-N 0 3 365.518 2.397 20 30 FEEDHN N#CCCC[C@H](N)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000514598791 561968916 /nfs/dbraw/zinc/96/89/16/561968916.db2.gz ABGXJQMXIQNLRL-NSHDSACASA-N 0 3 364.755 2.270 20 30 FEEDHN CCN(CC)[C@H](CNS(=O)(=O)c1cncc(C#N)c1)Cc1ccccc1 ZINC000514636058 561970944 /nfs/dbraw/zinc/97/09/44/561970944.db2.gz KSOONQAZXJDPSH-SFHVURJKSA-N 0 3 372.494 2.185 20 30 FEEDHN COCCN(CCN(C)C)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000514675207 561973442 /nfs/dbraw/zinc/97/34/42/561973442.db2.gz KPNKXRRKQPAPIR-UHFFFAOYSA-N 0 3 369.469 2.114 20 30 FEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000514793078 561979871 /nfs/dbraw/zinc/97/98/71/561979871.db2.gz GNDLQCHMDQEHBJ-MUGJNUQGSA-N 0 3 364.449 2.004 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@@H]21 ZINC000367843987 556152796 /nfs/dbraw/zinc/15/27/96/556152796.db2.gz RLQDHHXZUOPAMX-MDZRGWNJSA-N 0 3 356.445 2.076 20 30 FEEDHN C=CCNc1ncc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)s1 ZINC000622143598 556231145 /nfs/dbraw/zinc/23/11/45/556231145.db2.gz BRVQBTFPDINMOH-INIZCTEOSA-N 0 3 372.494 2.238 20 30 FEEDHN CN1CC[C@@H](NCC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 ZINC000368230980 556254507 /nfs/dbraw/zinc/25/45/07/556254507.db2.gz HJVTXXNNWLUYKF-TZIWHRDSSA-N 0 3 366.440 2.349 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3ccccn3)cc2)CC1 ZINC000515228659 562001783 /nfs/dbraw/zinc/00/17/83/562001783.db2.gz VCPKIGZQCNKHQJ-UHFFFAOYSA-N 0 3 364.449 2.454 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2nc[nH]c21 ZINC000368455902 556314773 /nfs/dbraw/zinc/31/47/73/556314773.db2.gz VGYQHNWPJWWCRD-KRWDZBQOSA-N 0 3 351.454 2.292 20 30 FEEDHN CN1CCN(CCC2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000368842217 556427312 /nfs/dbraw/zinc/42/73/12/556427312.db2.gz ABVWFRNSMSGQRI-VOTSOKGWSA-N 0 3 366.509 2.448 20 30 FEEDHN C[C@H](N[C@@H]1CCCC[C@@H]1N1CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000368949968 556457066 /nfs/dbraw/zinc/45/70/66/556457066.db2.gz KVIOUKZVWGQHKL-IPELMVKDSA-N 0 3 356.470 2.118 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000369040130 556485981 /nfs/dbraw/zinc/48/59/81/556485981.db2.gz BTOMKZVRYQCAMO-UHFFFAOYSA-N 0 3 364.534 2.317 20 30 FEEDHN C[C@H](CNC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)N(C)C1CC1 ZINC000369049985 556489254 /nfs/dbraw/zinc/48/92/54/556489254.db2.gz AUTNZXFTLXUMRP-MRXNPFEDSA-N 0 3 355.486 2.263 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000369079247 556499144 /nfs/dbraw/zinc/49/91/44/556499144.db2.gz SIYOXKKHQRJUJH-QZTJIDSGSA-N 0 3 358.401 2.162 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000369079246 556499345 /nfs/dbraw/zinc/49/93/45/556499345.db2.gz SIYOXKKHQRJUJH-MSOLQXFVSA-N 0 3 358.401 2.162 20 30 FEEDHN N#CC[C@H](CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000369530089 556621875 /nfs/dbraw/zinc/62/18/75/556621875.db2.gz GFRSGFWFKYMIGG-MJGOQNOKSA-N 0 3 368.481 2.015 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 ZINC000369594477 556641835 /nfs/dbraw/zinc/64/18/35/556641835.db2.gz YOXRLLZRBNSKPI-GOSISDBHSA-N 0 3 367.493 2.260 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1 ZINC000369688844 556669020 /nfs/dbraw/zinc/66/90/20/556669020.db2.gz FBEUSGWWAJWBNN-TVRKMHQQSA-N 0 3 359.514 2.018 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000369757897 556686585 /nfs/dbraw/zinc/68/65/85/556686585.db2.gz QLGMUUVKVTZENS-LJQANCHMSA-N 0 3 367.493 2.143 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)CN1C1CC1 ZINC000516991978 562069711 /nfs/dbraw/zinc/06/97/11/562069711.db2.gz DDJOIJHEVVBEOZ-YJBOKZPZSA-N 0 3 356.470 2.341 20 30 FEEDHN CC1CCN(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1 ZINC000371527412 557210774 /nfs/dbraw/zinc/21/07/74/557210774.db2.gz HRJOGRSQPBKCGH-UHFFFAOYSA-N 0 3 354.498 2.393 20 30 FEEDHN CC(C(=O)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1)S(C)(=O)=O ZINC000371988935 557348278 /nfs/dbraw/zinc/34/82/78/557348278.db2.gz XBNUGLRSVVKJHB-GHMZBOCLSA-N 0 3 363.464 2.292 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](NCc3ccccc3)C2)cc1 ZINC000372616909 557522430 /nfs/dbraw/zinc/52/24/30/557522430.db2.gz FUYBZUOGUVQDDQ-IBGZPJMESA-N 0 3 362.433 2.278 20 30 FEEDHN C[C@@](CO)(CNCCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000519645584 562138452 /nfs/dbraw/zinc/13/84/52/562138452.db2.gz BSGCZTGQOIUXRU-FQEVSTJZSA-N 0 3 372.490 2.163 20 30 FEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](C(=O)Nc3nccs3)C2)cc1 ZINC000372797598 557564167 /nfs/dbraw/zinc/56/41/67/557564167.db2.gz BGAKHPFHJOSHBY-JKSUJKDBSA-N 0 3 356.451 2.399 20 30 FEEDHN CCO[C@@H](CCNCCS(=O)(=O)c1ccc(C#N)cn1)C1CCCC1 ZINC000519772402 562143546 /nfs/dbraw/zinc/14/35/46/562143546.db2.gz UFHZKNFVRANMRA-KRWDZBQOSA-N 0 3 365.499 2.302 20 30 FEEDHN COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1cc(C#N)ccc1C ZINC000373182635 557645957 /nfs/dbraw/zinc/64/59/57/557645957.db2.gz KKAHVMQGYPEGDH-MRXNPFEDSA-N 0 3 357.435 2.474 20 30 FEEDHN CC(C)(C)NC(=O)CN1CCCN(CCCC2(C#N)CCOCC2)CC1 ZINC000374098943 557823094 /nfs/dbraw/zinc/82/30/94/557823094.db2.gz IRFWHPKUUQFYTK-UHFFFAOYSA-N 0 3 364.534 2.009 20 30 FEEDHN C[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1=CCN(C)CC1 ZINC000374727541 557922005 /nfs/dbraw/zinc/92/20/05/557922005.db2.gz BQKIYAXKXNUUEA-KXBFYZLASA-N 0 3 354.454 2.292 20 30 FEEDHN CC(C)(C#N)c1ccccc1CN1CCC(O)(CN2CCOCC2)CC1 ZINC000374997238 557961528 /nfs/dbraw/zinc/96/15/28/557961528.db2.gz JITVZDUVKFNERX-UHFFFAOYSA-N 0 3 357.498 2.147 20 30 FEEDHN C=CCN(C(=O)c1c(C)nn(C)c1N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000375036255 557967856 /nfs/dbraw/zinc/96/78/56/557967856.db2.gz HZOUVQCSDPRXHG-KRWDZBQOSA-N 0 3 353.470 2.213 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1)C(C)C ZINC000375121190 557980769 /nfs/dbraw/zinc/98/07/69/557980769.db2.gz ZNIOFVQKGCBUNX-LMMKCTJWSA-N 0 3 362.518 2.041 20 30 FEEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H](n3cncn3)C1)CCCC2 ZINC000375319414 558008763 /nfs/dbraw/zinc/00/87/63/558008763.db2.gz ODMYZALREPNBLU-CYBMUJFWSA-N 0 3 370.482 2.366 20 30 FEEDHN Clc1cccc(C#CCN2CCN(CCN3CCCOCC3)CC2)c1 ZINC000375331847 558010290 /nfs/dbraw/zinc/01/02/90/558010290.db2.gz ACYMHUDKDQISKN-UHFFFAOYSA-N 0 3 361.917 2.031 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375471099 558033312 /nfs/dbraw/zinc/03/33/12/558033312.db2.gz PPQNTISZANVLSR-JKSUJKDBSA-N 0 3 354.410 2.048 20 30 FEEDHN C[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CCN1C1CCN(C)CC1 ZINC000376066729 558122048 /nfs/dbraw/zinc/12/20/48/558122048.db2.gz KDLHNZKGJLNAFK-AWEZNQCLSA-N 0 3 360.889 2.452 20 30 FEEDHN CC(=O)NCCN(C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000521620163 562180542 /nfs/dbraw/zinc/18/05/42/562180542.db2.gz JMCQIDYVDPMPSU-UHFFFAOYSA-N 0 3 362.499 2.285 20 30 FEEDHN C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000376107512 558127966 /nfs/dbraw/zinc/12/79/66/558127966.db2.gz UKRXJLFUSLSOPF-RDTXWAMCSA-N 0 3 360.889 2.310 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000376442199 558173764 /nfs/dbraw/zinc/17/37/64/558173764.db2.gz PQAAFDSIDXWZKR-RTBURBONSA-N 0 3 367.449 2.285 20 30 FEEDHN N#C[C@H]1CN(C(=O)c2ccc(CN3CCCCC3)cc2)CCN1C1CC1 ZINC000376513955 558183745 /nfs/dbraw/zinc/18/37/45/558183745.db2.gz WICGHBWNJLVKCD-FQEVSTJZSA-N 0 3 352.482 2.485 20 30 FEEDHN C=CCOc1ccc(CNC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1 ZINC000377194292 558285909 /nfs/dbraw/zinc/28/59/09/558285909.db2.gz DKRHWIOEHQUXAK-LJQANCHMSA-N 0 3 372.513 2.173 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000377400561 558333419 /nfs/dbraw/zinc/33/34/19/558333419.db2.gz QEJRDWURJKACEN-QKYXUNIQSA-N 0 3 368.481 2.277 20 30 FEEDHN C#CC[C@H](NC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO)c1ccccc1 ZINC000378277438 558517831 /nfs/dbraw/zinc/51/78/31/558517831.db2.gz MMEVLYMBGORCDK-AQNXPRMDSA-N 0 3 355.482 2.382 20 30 FEEDHN C[C@H]1CN(C(=O)c2cccc(SCC#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000378316992 558528220 /nfs/dbraw/zinc/52/82/20/558528220.db2.gz OMKLQQXVXAYFLP-LPHOPBHVSA-N 0 3 372.538 2.400 20 30 FEEDHN CN(CCC#N)c1ccc(CN2CCN([C@H]3CCCN(C)C3)CC2)cc1 ZINC000378353362 558536902 /nfs/dbraw/zinc/53/69/02/558536902.db2.gz XJKICZVEDWCTQA-NRFANRHFSA-N 0 3 355.530 2.248 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000378459545 558562495 /nfs/dbraw/zinc/56/24/95/558562495.db2.gz UAQWJEUSAZPSTG-MDZRGWNJSA-N 0 3 358.461 2.487 20 30 FEEDHN C=CCS(=O)(=O)CCNC1CCN(CCc2ccc(F)cc2)CC1 ZINC000378625658 558596886 /nfs/dbraw/zinc/59/68/86/558596886.db2.gz QJUFQYBGRQOSRD-UHFFFAOYSA-N 0 3 354.491 2.023 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000409530434 558700589 /nfs/dbraw/zinc/70/05/89/558700589.db2.gz SNGBIVBRFDAACH-SJLPKXTDSA-N 0 3 364.515 2.139 20 30 FEEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000411480151 558901899 /nfs/dbraw/zinc/90/18/99/558901899.db2.gz VFZOMQFIIMCJDV-QGZVFWFLSA-N 0 3 359.470 2.441 20 30 FEEDHN CCN1CCC(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000525846557 562257245 /nfs/dbraw/zinc/25/72/45/562257245.db2.gz PLXNIXNREKLNKO-UHFFFAOYSA-N 0 3 371.485 2.427 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](CO)[C@H]1CCCOC1 ZINC000411999221 559001036 /nfs/dbraw/zinc/00/10/36/559001036.db2.gz XBPLMUSRDNTHQX-HOCLYGCPSA-N 0 3 350.484 2.280 20 30 FEEDHN N#Cc1ccsc1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412780511 559055734 /nfs/dbraw/zinc/05/57/34/559055734.db2.gz QKSXAEBYGAFUFM-UHFFFAOYSA-N 0 3 355.463 2.377 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000413940551 559142023 /nfs/dbraw/zinc/14/20/23/559142023.db2.gz BPOPVZKEWUPRGD-PGRDOPGGSA-N 0 3 361.445 2.415 20 30 FEEDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000414466244 559166329 /nfs/dbraw/zinc/16/63/29/559166329.db2.gz VJRJUHVKEKBMPK-KBPBESRZSA-N 0 3 361.389 2.338 20 30 FEEDHN CN(C)C(=O)[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000414499186 559168791 /nfs/dbraw/zinc/16/87/91/559168791.db2.gz OBQDERYKGZSWQY-QGZVFWFLSA-N 0 3 351.454 2.374 20 30 FEEDHN C[C@H](NCC1(c2ccc(F)cc2)CCOCC1)C(=O)NC1(C#N)CCC1 ZINC000527039974 562274276 /nfs/dbraw/zinc/27/42/76/562274276.db2.gz DIPNKAWBLPADRX-HNNXBMFYSA-N 0 3 359.445 2.414 20 30 FEEDHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CCC#N)CCC(C)C ZINC000527130015 562277497 /nfs/dbraw/zinc/27/74/97/562277497.db2.gz FJDDQEGAMCHIES-UHFFFAOYSA-N 0 3 374.485 2.484 20 30 FEEDHN CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)cc1 ZINC000415435207 559236420 /nfs/dbraw/zinc/23/64/20/559236420.db2.gz YWNQQODPMIFGKS-KRWDZBQOSA-N 0 3 356.470 2.450 20 30 FEEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415465014 559239937 /nfs/dbraw/zinc/23/99/37/559239937.db2.gz SAUFEKHFXLUGTR-NWDGAFQWSA-N 0 3 358.833 2.611 20 30 FEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000416462662 559314841 /nfs/dbraw/zinc/31/48/41/559314841.db2.gz RSACYECSLOZDKO-GOSISDBHSA-N 0 3 365.433 2.315 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCNC[C@H]1c1cccnc1)C(C)C ZINC000417061769 559346275 /nfs/dbraw/zinc/34/62/75/559346275.db2.gz LGORUGZVHYRSFZ-PMACEKPBSA-N 0 3 371.529 2.436 20 30 FEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418754082 559414086 /nfs/dbraw/zinc/41/40/86/559414086.db2.gz WGDKLSDZIOUCIQ-AWEZNQCLSA-N 0 3 354.357 2.290 20 30 FEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000419603266 559449399 /nfs/dbraw/zinc/44/93/99/559449399.db2.gz BAZYHEFALVMHJC-PKOBYXMFSA-N 0 3 356.470 2.082 20 30 FEEDHN CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419632124 559450553 /nfs/dbraw/zinc/45/05/53/559450553.db2.gz FQBMRMFKPQTHOL-UYAOXDASSA-N 0 3 370.497 2.328 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)c1ccc(F)c(F)c1 ZINC000419678965 559453531 /nfs/dbraw/zinc/45/35/31/559453531.db2.gz OWIWNSNSOCSQCU-IRXDYDNUSA-N 0 3 365.424 2.332 20 30 FEEDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000420457294 559488495 /nfs/dbraw/zinc/48/84/95/559488495.db2.gz HVZLBFQCLAINIM-MRXNPFEDSA-N 0 3 359.451 2.108 20 30 FEEDHN COC1([C@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOCC1 ZINC000421036557 559521316 /nfs/dbraw/zinc/52/13/16/559521316.db2.gz QKNLSUKCBBMDTD-LBPRGKRZSA-N 0 3 351.834 2.324 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N2CCN(C)CC[C@H]2C)c(C#N)cn1CC ZINC000421178295 559529246 /nfs/dbraw/zinc/52/92/46/559529246.db2.gz WXXZRXOSNUNHEV-CYBMUJFWSA-N 0 3 361.446 2.114 20 30 FEEDHN CN(C[C@H]1CCCN1C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000421709494 559550364 /nfs/dbraw/zinc/55/03/64/559550364.db2.gz FOAVMYKFUQMTSL-GOSISDBHSA-N 0 3 356.470 2.266 20 30 FEEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)C1CC1 ZINC000422375349 559583152 /nfs/dbraw/zinc/58/31/52/559583152.db2.gz JIQMBANPFSKMGD-SFHVURJKSA-N 0 3 370.497 2.069 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000424099656 559654771 /nfs/dbraw/zinc/65/47/71/559654771.db2.gz VPDDFYGNTAMABS-IRXDYDNUSA-N 0 3 357.458 2.210 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000424131786 559655688 /nfs/dbraw/zinc/65/56/88/559655688.db2.gz VMOMTXCLEPOYDH-ZDUSSCGKSA-N 0 3 359.821 2.153 20 30 FEEDHN C=CCCn1cc(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000424701026 559674093 /nfs/dbraw/zinc/67/40/93/559674093.db2.gz SNNNBECMMQERCS-GOSISDBHSA-N 0 3 353.470 2.448 20 30 FEEDHN C=CCCn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)nn1 ZINC000424710868 559674295 /nfs/dbraw/zinc/67/42/95/559674295.db2.gz VCEXROYOFJCZJY-FUHWJXTLSA-N 0 3 353.470 2.495 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000425384963 559699204 /nfs/dbraw/zinc/69/92/04/559699204.db2.gz MUOMLUOVUVAHQH-HNNXBMFYSA-N 0 3 356.470 2.020 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000425724271 559716114 /nfs/dbraw/zinc/71/61/14/559716114.db2.gz KHNWARYILPHDTR-SXLOBPIMSA-N 0 3 373.497 2.034 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](NCCC(=O)Nc1sccc1C#N)C(N)=O ZINC000428856934 559785053 /nfs/dbraw/zinc/78/50/53/559785053.db2.gz PMFCVEKOWICIRL-MLGOLLRUSA-N 0 3 356.451 2.196 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1 ZINC000432196051 559854078 /nfs/dbraw/zinc/85/40/78/559854078.db2.gz MGGBWRICNMMHPR-BETUJISGSA-N 0 3 350.850 2.226 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccnc1N1CCOCC1 ZINC000433227973 559874305 /nfs/dbraw/zinc/87/43/05/559874305.db2.gz UURJJCKUHLTEQU-SFHVURJKSA-N 0 3 364.449 2.307 20 30 FEEDHN Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c(=O)n1C ZINC000433336671 559877434 /nfs/dbraw/zinc/87/74/34/559877434.db2.gz AKXFAMIWIXIAPT-UHFFFAOYSA-N 0 3 362.437 2.156 20 30 FEEDHN COCCCNC(=O)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433345431 559877786 /nfs/dbraw/zinc/87/77/86/559877786.db2.gz YEHSLKXOVAZMFO-LJQANCHMSA-N 0 3 371.481 2.150 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCCC[C@@H]1C ZINC000434729779 559908020 /nfs/dbraw/zinc/90/80/20/559908020.db2.gz ZEPKTUYUEXOHGI-GJZGRUSLSA-N 0 3 373.501 2.432 20 30 FEEDHN COC(=O)[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1C ZINC000434983825 559913659 /nfs/dbraw/zinc/91/36/59/559913659.db2.gz UKAUQTZBRXKIEQ-PBHICJAKSA-N 0 3 353.426 2.242 20 30 FEEDHN COc1cc(CN[C@@H]2CC(=O)N(CCOc3ccccc3)C2)ccc1C#N ZINC000440814578 560018803 /nfs/dbraw/zinc/01/88/03/560018803.db2.gz DUCPNWDQEKVKBM-GOSISDBHSA-N 0 3 365.433 2.336 20 30 FEEDHN CN1CCN(CCNC(=O)N[C@H](CCC#N)c2ccccc2)CC1(C)C ZINC000441014894 560021616 /nfs/dbraw/zinc/02/16/16/560021616.db2.gz PYTFEXMIKRUTJI-GOSISDBHSA-N 0 3 357.502 2.357 20 30 FEEDHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N(C)C1CC1 ZINC000448891647 560205164 /nfs/dbraw/zinc/20/51/64/560205164.db2.gz UVOSAMLYXGPAJG-TZMCWYRMSA-N 0 3 374.872 2.163 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3nccc(C)c3C#N)C2)CC1 ZINC000450763646 560272543 /nfs/dbraw/zinc/27/25/43/560272543.db2.gz BLGFQVFLNRPKPG-GOSISDBHSA-N 0 3 355.486 2.032 20 30 FEEDHN N#CCC1(CS(=O)(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000451168362 560290892 /nfs/dbraw/zinc/29/08/92/560290892.db2.gz VRHNCSGAKRHGPV-SFHVURJKSA-N 0 3 361.511 2.164 20 30 FEEDHN CC(C)[C@@H](CO)[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000451603887 560317028 /nfs/dbraw/zinc/31/70/28/560317028.db2.gz XURNTQZNAYPJGD-QZTJIDSGSA-N 0 3 352.500 2.211 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000451675163 560321470 /nfs/dbraw/zinc/32/14/70/560321470.db2.gz OXUOOONEOJALQD-MSOLQXFVSA-N 0 3 374.485 2.275 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000452008697 560345111 /nfs/dbraw/zinc/34/51/11/560345111.db2.gz BKBBWUQMEQVQBW-HNNXBMFYSA-N 0 3 358.552 2.298 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)c(Cl)c1 ZINC000453604016 560390787 /nfs/dbraw/zinc/39/07/87/560390787.db2.gz BXRMFJGHCVDOFW-HNNXBMFYSA-N 0 3 374.872 2.431 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000453645187 560392932 /nfs/dbraw/zinc/39/29/32/560392932.db2.gz FSNSLIRAAIRCDH-UHFFFAOYSA-N 0 3 354.454 2.282 20 30 FEEDHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@H]1N(C)C ZINC000453672768 560395533 /nfs/dbraw/zinc/39/55/33/560395533.db2.gz LMYKFYILRXWNTO-XJKSGUPXSA-N 0 3 372.469 2.083 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1 ZINC000453695151 560397408 /nfs/dbraw/zinc/39/74/08/560397408.db2.gz KRBHXULIJULGQQ-INIZCTEOSA-N 0 3 364.449 2.442 20 30 FEEDHN N#CCc1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)c(Cl)c1 ZINC000455712520 560492689 /nfs/dbraw/zinc/49/26/89/560492689.db2.gz ZWRUFSLTSSSSIE-AWEZNQCLSA-N 0 3 350.850 2.374 20 30 FEEDHN CC(C)(C)OC(=O)[C@]1(C)CCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000459585164 560696124 /nfs/dbraw/zinc/69/61/24/560696124.db2.gz OUGWQIQOQJXVAU-OXQOHEQNSA-N 0 3 360.454 2.352 20 30 FEEDHN C[C@H](C(=O)NCc1ccnc(OCCN(C)C)c1)c1cccc(C#N)c1 ZINC000462267024 560803540 /nfs/dbraw/zinc/80/35/40/560803540.db2.gz GOFSCQBFGCEFPT-HNNXBMFYSA-N 0 3 352.438 2.314 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1C ZINC000465874272 560874686 /nfs/dbraw/zinc/87/46/86/560874686.db2.gz MNYQLFGNTALBDH-OIISXLGYSA-N 0 3 373.476 2.448 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000467098787 560903627 /nfs/dbraw/zinc/90/36/27/560903627.db2.gz AQXQYSPKDNVFMA-KRWDZBQOSA-N 0 3 351.454 2.292 20 30 FEEDHN COCCN1CC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469377450 560953716 /nfs/dbraw/zinc/95/37/16/560953716.db2.gz QZNHQDCYMMGUSP-INIZCTEOSA-N 0 3 354.454 2.396 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](C(=O)OC)[C@@H]2C)c(OC)c1 ZINC000470003326 560971551 /nfs/dbraw/zinc/97/15/51/560971551.db2.gz QDWLDBROGJTMDG-UAGQMJEPSA-N 0 3 363.454 2.047 20 30 FEEDHN COc1ccc([C@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000470547080 560984341 /nfs/dbraw/zinc/98/43/41/560984341.db2.gz BUICTPZZFYNJRO-UGSOOPFHSA-N 0 3 372.446 2.464 20 30 FEEDHN CN(C)C(=O)c1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470799921 560989932 /nfs/dbraw/zinc/98/99/32/560989932.db2.gz BTYHVCHVSJSCCF-LJQANCHMSA-N 0 3 360.417 2.259 20 30 FEEDHN COc1ccc2c(c1)nc(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)n2C ZINC000471142030 560999147 /nfs/dbraw/zinc/99/91/47/560999147.db2.gz ISKVHUDTHIVRDE-MRXNPFEDSA-N 0 3 373.416 2.452 20 30 FEEDHN CN(CCCNC(=O)C1CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471152564 560999237 /nfs/dbraw/zinc/99/92/37/560999237.db2.gz ROTJFUPKMAOLND-GOSISDBHSA-N 0 3 352.438 2.005 20 30 FEEDHN CN(Cc1nc(-c2cccnc2)no1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472090025 561017706 /nfs/dbraw/zinc/01/77/06/561017706.db2.gz JQVSUDVSKSXGRI-KRWDZBQOSA-N 0 3 372.388 2.344 20 30 FEEDHN COC(=O)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000472207683 561021054 /nfs/dbraw/zinc/02/10/54/561021054.db2.gz LCEAIEDJCZSSDT-RTBURBONSA-N 0 3 361.401 2.314 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)CC1 ZINC000476935592 561132424 /nfs/dbraw/zinc/13/24/24/561132424.db2.gz VLZBMWSJPWAKEQ-AWEZNQCLSA-N 0 3 373.501 2.437 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)CN(CC)CC ZINC000477099237 561136648 /nfs/dbraw/zinc/13/66/48/561136648.db2.gz KXWOILNWPFRATE-MRXNPFEDSA-N 0 3 358.486 2.143 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(CC(=O)N2CCCC2)CC1 ZINC000528355127 562324502 /nfs/dbraw/zinc/32/45/02/562324502.db2.gz YEDKIPYMVPFUNC-IBGZPJMESA-N 0 3 371.481 2.022 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000528380416 562325867 /nfs/dbraw/zinc/32/58/67/562325867.db2.gz PKRLNDFPJDPSGP-CQSZACIVSA-N 0 3 353.264 2.337 20 30 FEEDHN CC(C)n1cnnc1[C@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528422936 562328599 /nfs/dbraw/zinc/32/85/99/562328599.db2.gz GRJLHPQQOPLICB-ZWKOTPCHSA-N 0 3 369.469 2.350 20 30 FEEDHN COCCc1noc(CC2CCN(CCOc3ccc(C#N)cc3)CC2)n1 ZINC000528618259 562338546 /nfs/dbraw/zinc/33/85/46/562338546.db2.gz JAXZWASUHWBKIG-UHFFFAOYSA-N 0 3 370.453 2.464 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@](O)(c2ccccc2)C1 ZINC000528658524 562340704 /nfs/dbraw/zinc/34/07/04/562340704.db2.gz PQYKBMBJYVWPSK-TZIWHRDSSA-N 0 3 352.434 2.282 20 30 FEEDHN N#Cc1ccc(CC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cn1 ZINC000528807605 562348706 /nfs/dbraw/zinc/34/87/06/562348706.db2.gz LTHJDPNJQXCGRQ-UHFFFAOYSA-N 0 3 364.449 2.339 20 30 FEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(CCCOC)c1 ZINC000528919969 562353036 /nfs/dbraw/zinc/35/30/36/562353036.db2.gz NWOGXAXBMLJBLF-OAHLLOKOSA-N 0 3 370.409 2.279 20 30 FEEDHN N#Cc1cccnc1-n1cc(NC(=O)NC[C@H]2CCN2C2CCCC2)cn1 ZINC000529061266 562358520 /nfs/dbraw/zinc/35/85/20/562358520.db2.gz HHDHCNYFSADCOF-QGZVFWFLSA-N 0 3 365.441 2.277 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000530230616 562403153 /nfs/dbraw/zinc/40/31/53/562403153.db2.gz BIOAEHLPTRUETH-RTBURBONSA-N 0 3 371.481 2.211 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000530232858 562403305 /nfs/dbraw/zinc/40/33/05/562403305.db2.gz TYFKNYCNDJIRRS-RTBURBONSA-N 0 3 371.481 2.069 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000531044474 562432766 /nfs/dbraw/zinc/43/27/66/562432766.db2.gz NCVGWPGHHKKQLT-GJZGRUSLSA-N 0 3 374.510 2.477 20 30 FEEDHN C[C@H](Nc1cnn(C2CCN(C)CC2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000601937150 567880814 /nfs/dbraw/zinc/88/08/14/567880814.db2.gz VIFZYLFIBFVLRF-HNNXBMFYSA-N 0 3 358.490 2.293 20 30 FEEDHN N#CC[C@@]1(O)CCN(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC000602392512 567974914 /nfs/dbraw/zinc/97/49/14/567974914.db2.gz RHHJVGXQEUKPET-TZIWHRDSSA-N 0 3 370.497 2.491 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000602514923 567989782 /nfs/dbraw/zinc/98/97/82/567989782.db2.gz MUTCUPBSFRNXJX-IRXDYDNUSA-N 0 3 358.486 2.495 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccnc1N1CCN(C)CC1 ZINC000602535063 567992131 /nfs/dbraw/zinc/99/21/31/567992131.db2.gz XIJPNINHWCAGSL-KRWDZBQOSA-N 0 3 357.502 2.022 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000602674015 568008532 /nfs/dbraw/zinc/00/85/32/568008532.db2.gz DBWIVJIGFSZKKC-OAHLLOKOSA-N 0 3 365.499 2.125 20 30 FEEDHN N#CCCN(C(=O)CN1CCCN(C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000603848319 568163353 /nfs/dbraw/zinc/16/33/53/568163353.db2.gz KTQHBPQHEOGRCI-FQEVSTJZSA-N 0 3 370.497 2.120 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccnc(N3CCCC3)c2)cc1 ZINC000568976446 568259969 /nfs/dbraw/zinc/25/99/69/568259969.db2.gz WCKUDAJIELXFGV-SFHVURJKSA-N 0 3 352.438 2.083 20 30 FEEDHN C#Cc1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000809618161 674501215 /nfs/dbraw/zinc/50/12/15/674501215.db2.gz DDJYQKFAXIKRNI-UHFFFAOYSA-N 0 3 354.475 2.193 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000824585465 608490741 /nfs/dbraw/zinc/49/07/41/608490741.db2.gz QPDGVWBTKQWLDA-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826385053 609413542 /nfs/dbraw/zinc/41/35/42/609413542.db2.gz VDYZXZLZICEXCA-SFHVURJKSA-N 0 3 373.420 2.024 20 30 FEEDHN Cn1nnnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000027444159 670079623 /nfs/dbraw/zinc/07/96/23/670079623.db2.gz PQUZWNHIPQRGCI-NSHDSACASA-N 0 3 356.436 2.302 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000570202438 670677935 /nfs/dbraw/zinc/67/79/35/670677935.db2.gz IUPFOWGZFMWDRM-JKSUJKDBSA-N 0 3 367.291 2.091 20 30 FEEDHN CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccccc1 ZINC000573913514 671180917 /nfs/dbraw/zinc/18/09/17/671180917.db2.gz ITGWAOPKIVHMEQ-UHFFFAOYSA-N 0 3 359.451 2.174 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000566110045 675181753 /nfs/dbraw/zinc/18/17/53/675181753.db2.gz WVLPKKOEKUJRGU-ZACQAIPSSA-N 0 3 363.527 2.288 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000125151221 672007714 /nfs/dbraw/zinc/00/77/14/672007714.db2.gz XWXKJFWKRFWGGO-LLVKDONJSA-N 0 3 359.209 2.234 20 30 FEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(F)c1 ZINC000125533297 672013179 /nfs/dbraw/zinc/01/31/79/672013179.db2.gz ZVVNPLOAZPGKSI-CJNGLKHVSA-N 0 3 350.390 2.233 20 30 FEEDHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000583126176 672065686 /nfs/dbraw/zinc/06/56/86/672065686.db2.gz RBNHXQHRONNIJX-GFCCVEGCSA-N 0 3 362.499 2.314 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000583990848 672145441 /nfs/dbraw/zinc/14/54/41/672145441.db2.gz UIGLXOFFEKZMCZ-HOTGVXAUSA-N 0 3 353.532 2.238 20 30 FEEDHN CN(C)C[C@@H](CO)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000588864468 672486791 /nfs/dbraw/zinc/48/67/91/672486791.db2.gz JIPLKXAJBSSGMV-HNNXBMFYSA-N 0 3 355.463 2.362 20 30 FEEDHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000590278486 672569910 /nfs/dbraw/zinc/56/99/10/672569910.db2.gz LGEHGXVICQYBSZ-FZMZJTMJSA-N 0 3 360.483 2.018 20 30 FEEDHN N#Cc1cc(Br)cnc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000590694361 672602902 /nfs/dbraw/zinc/60/29/02/672602902.db2.gz DKZBHMJTYSJHSZ-CQSZACIVSA-N 0 3 351.248 2.381 20 30 FEEDHN CC(C)CN1CCCC[C@H]1CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000591756882 672708632 /nfs/dbraw/zinc/70/86/32/672708632.db2.gz XXGKYGALSWIIOH-SFHVURJKSA-N 0 3 363.527 2.432 20 30 FEEDHN N#Cc1cnn2c1NC[C@H](CN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C2 ZINC000592505076 672809510 /nfs/dbraw/zinc/80/95/10/672809510.db2.gz RHUKDSLXUSQTBJ-FBIMIBRVSA-N 0 3 367.297 2.469 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC000594326950 673059021 /nfs/dbraw/zinc/05/90/21/673059021.db2.gz SNMWHQXYWKVISU-HZPDHXFCSA-N 0 3 360.845 2.283 20 30 FEEDHN COc1ccc(Br)c(CNC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594426927 673070839 /nfs/dbraw/zinc/07/08/39/673070839.db2.gz GLROMILCAISKLO-AWEZNQCLSA-N 0 3 354.248 2.485 20 30 FEEDHN CC(C)C(=O)N1CCC(NC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000329634129 673080487 /nfs/dbraw/zinc/08/04/87/673080487.db2.gz XASYCYOFQYNXJR-QGZVFWFLSA-N 0 3 350.507 2.154 20 30 FEEDHN O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000330155797 673086484 /nfs/dbraw/zinc/08/64/84/673086484.db2.gz OFSHAGSTFPGFSU-LLVKDONJSA-N 0 3 360.384 2.188 20 30 FEEDHN CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H]1CC1(C)C ZINC000595910946 673337523 /nfs/dbraw/zinc/33/75/23/673337523.db2.gz UTJURRNTZBSBJD-HZPDHXFCSA-N 0 3 360.527 2.435 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](O)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000596067784 673355528 /nfs/dbraw/zinc/35/55/28/673355528.db2.gz AMINNPKVGYPXSM-DNVCBOLYSA-N 0 3 358.463 2.086 20 30 FEEDHN C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000732200786 673356974 /nfs/dbraw/zinc/35/69/74/673356974.db2.gz PJXPGVMQPKVPBK-FRRDWIJNSA-N 0 3 356.451 2.058 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)COC2CCOCC2)cc1Cl ZINC000735397294 673492978 /nfs/dbraw/zinc/49/29/78/673492978.db2.gz BKNFRUGUPQOMFE-CYBMUJFWSA-N 0 3 366.801 2.192 20 30 FEEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000598724865 673603733 /nfs/dbraw/zinc/60/37/33/673603733.db2.gz RYWJBZQOOKPDMI-WFASDCNBSA-N 0 3 353.825 2.475 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000598939490 673623800 /nfs/dbraw/zinc/62/38/00/673623800.db2.gz HYOOWNZBBZASQS-ZDUSSCGKSA-N 0 3 354.223 2.494 20 30 FEEDHN N#CC1(C[C@H](O)CN[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000600754818 673796549 /nfs/dbraw/zinc/79/65/49/673796549.db2.gz CHTAXMCQMDDUAH-JSGCOSHPSA-N 0 3 351.809 2.229 20 30 FEEDHN N#Cc1cccc(CNCCCNS(=O)(=O)c2ccccc2Cl)n1 ZINC000602648316 673909119 /nfs/dbraw/zinc/90/91/19/673909119.db2.gz OQSBAKMWTRSSJU-UHFFFAOYSA-N 0 3 364.858 2.065 20 30 FEEDHN CC(C)[C@@H](CNc1cc(C#N)c(Br)cn1)N1CCN(C)CC1 ZINC000603270556 673920751 /nfs/dbraw/zinc/92/07/51/673920751.db2.gz JYEBZBQYJKCFOW-OAHLLOKOSA-N 0 3 366.307 2.400 20 30 FEEDHN C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000548633584 673982117 /nfs/dbraw/zinc/98/21/17/673982117.db2.gz WBAKOTVNBLVYOI-KSSFIOAISA-N 0 3 360.889 2.310 20 30 FEEDHN C#CCN(C)CCCNC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000818602784 675227881 /nfs/dbraw/zinc/22/78/81/675227881.db2.gz FCCFFFUTYLMRDE-INIZCTEOSA-N 0 3 351.491 2.237 20 30 FEEDHN COc1ccc(CCNCCS(=O)(=O)c2cccc(C#N)c2)cc1F ZINC000566614986 675228940 /nfs/dbraw/zinc/22/89/40/675228940.db2.gz CJBWMOGNABHCQZ-UHFFFAOYSA-N 0 3 362.426 2.312 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)c(Cl)c1 ZINC000618374094 676337732 /nfs/dbraw/zinc/33/77/32/676337732.db2.gz JHRFLIKIJHLHLT-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN C=CC[C@]1(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCC[NH2+]1 ZINC000662519426 678633197 /nfs/dbraw/zinc/63/31/97/678633197.db2.gz QGRJIQNQNGCKMK-QGZVFWFLSA-N 0 3 367.471 2.094 20 30 FEEDHN CS[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C[C@@H]1N(C)C ZINC000765273097 680838082 /nfs/dbraw/zinc/83/80/82/680838082.db2.gz WKGFMOYLDQSVHN-LSDHHAIUSA-N 0 3 358.467 2.368 20 30 FEEDHN CCOC(=O)[C@H]1[C@H](NCC(C)(C)CC#N)CCN1C(=O)OC(C)(C)C ZINC000840788259 680842960 /nfs/dbraw/zinc/84/29/60/680842960.db2.gz WYKNXCKHWLRXMG-ZIAGYGMSSA-N 0 3 353.463 2.457 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2COc3ccccc3C2)cc1 ZINC000748450108 679964679 /nfs/dbraw/zinc/96/46/79/679964679.db2.gz OTZCLBHYHJKAOC-INIZCTEOSA-N 0 3 356.447 2.173 20 30 FEEDHN C=CCc1cc(OCC)cc(CN2CCC[C@@H]2CS(=O)(=O)NC)c1O ZINC000749970042 680091716 /nfs/dbraw/zinc/09/17/16/680091716.db2.gz YHQIVFAAFQUUQP-MRXNPFEDSA-N 0 3 368.499 2.033 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(F)c1C#N ZINC000751499294 680183548 /nfs/dbraw/zinc/18/35/48/680183548.db2.gz WYXLQTAOUSIYSB-HZSPNIEDSA-N 0 3 353.463 2.342 20 30 FEEDHN CCN(CC)[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1ccco1 ZINC000754990824 680392833 /nfs/dbraw/zinc/39/28/33/680392833.db2.gz OYRCJQHHLJAYNL-OAHLLOKOSA-N 0 3 362.455 2.294 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000836317620 680450103 /nfs/dbraw/zinc/45/01/03/680450103.db2.gz GFDHUPNVUBZBMK-ZIAGYGMSSA-N 0 3 354.495 2.238 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=S)NC[C@H]1CCCCO1 ZINC000758192366 680560673 /nfs/dbraw/zinc/56/06/73/680560673.db2.gz ONHAWFCNKXLPHF-GOSISDBHSA-N 0 3 360.527 2.365 20 30 FEEDHN C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043359904 680577526 /nfs/dbraw/zinc/57/75/26/680577526.db2.gz YSBNOYIOKTTZDD-HFBAOOFYSA-N 0 3 361.877 2.206 20 30 FEEDHN Cc1nsc(N[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)c1C#N ZINC001043513000 680585324 /nfs/dbraw/zinc/58/53/24/680585324.db2.gz GGNXDUSQNJIXCC-IUODEOHRSA-N 0 3 361.515 2.314 20 30 FEEDHN CC(C)C(=O)NCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000767768919 680925697 /nfs/dbraw/zinc/92/56/97/680925697.db2.gz SIOJLLLANLRRHU-ZDUSSCGKSA-N 0 3 358.467 2.177 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2ccsc2)C1 ZINC001051867940 681070549 /nfs/dbraw/zinc/07/05/49/681070549.db2.gz QKXMMIIZRXDCGG-ULQDDVLXSA-N 0 3 350.484 2.046 20 30 FEEDHN CCOC(=O)[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000932644632 681275753 /nfs/dbraw/zinc/27/57/53/681275753.db2.gz LETZGSGVEIQYOW-STQMWFEESA-N 0 3 357.435 2.358 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)CN(CCCC)CCO2 ZINC000949370591 681636310 /nfs/dbraw/zinc/63/63/10/681636310.db2.gz ZYXWGEHIJLSCMM-MSOLQXFVSA-N 0 3 350.503 2.461 20 30 FEEDHN COc1cc(Br)ccc1CCC(=O)C(C#N)C(=O)NC1CC1 ZINC000782580600 682059873 /nfs/dbraw/zinc/05/98/73/682059873.db2.gz AZNWNGPMRJXZGZ-CYBMUJFWSA-N 0 3 365.227 2.378 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCSc1nc2ccccc2s1 ZINC000916889643 685528460 /nfs/dbraw/zinc/52/84/60/685528460.db2.gz AQAWLRSSQAQZLV-NSHDSACASA-N 0 3 363.464 2.250 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cn1cc(Br)cn1 ZINC000916875337 685528492 /nfs/dbraw/zinc/52/84/92/685528492.db2.gz YMNKDTHZFHNSPF-LBPRGKRZSA-N 0 3 355.236 2.051 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000916947026 685528637 /nfs/dbraw/zinc/52/86/37/685528637.db2.gz RQIYREOTCVKEDQ-YGRLFVJLSA-N 0 3 365.842 2.376 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(CCC(C)C)CCO2 ZINC000972391870 682412708 /nfs/dbraw/zinc/41/27/08/682412708.db2.gz DOIFUWGOLODEHQ-HBFSDRIKSA-N 0 3 350.503 2.317 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(C1)CN(CCC(C)C)CCO2 ZINC000972597998 682425862 /nfs/dbraw/zinc/42/58/62/682425862.db2.gz YEEVNTWFCPWEPR-CMKODMSKSA-N 0 3 350.503 2.317 20 30 FEEDHN CS(=O)(=O)c1ccccc1N=NC1CCOC[C@H]1CN1CCCCC1 ZINC000787155626 682437882 /nfs/dbraw/zinc/43/78/82/682437882.db2.gz ROJYNPMSDUMHTI-OAHLLOKOSA-N 0 3 365.499 2.380 20 30 FEEDHN C=C[C@H](O)C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000854502988 682559292 /nfs/dbraw/zinc/55/92/92/682559292.db2.gz CXUWLJOAFKYOBO-INIZCTEOSA-N 0 3 367.287 2.419 20 30 FEEDHN CCC(=O)N[C@H](CCSC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792101688 682788958 /nfs/dbraw/zinc/78/89/58/682788958.db2.gz TWEJFZASFNAVAM-SWLSCSKDSA-N 0 3 356.451 2.454 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000796740664 683191849 /nfs/dbraw/zinc/19/18/49/683191849.db2.gz MKMKSSGHRXITKZ-MRRJBJDNSA-N 0 3 364.467 2.250 20 30 FEEDHN C[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000797097061 683222160 /nfs/dbraw/zinc/22/21/60/683222160.db2.gz UHFWMMIABPMMQQ-GDBMZVCRSA-N 0 3 351.472 2.054 20 30 FEEDHN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000860478693 683248968 /nfs/dbraw/zinc/24/89/68/683248968.db2.gz ZNRZAXGNRWLGTG-OCCSQVGLSA-N 0 3 351.447 2.400 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956992 683408500 /nfs/dbraw/zinc/40/85/00/683408500.db2.gz TXCXHWYLFOSWIP-DNVCBOLYSA-N 0 3 351.491 2.352 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CNC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000922208796 683679806 /nfs/dbraw/zinc/67/98/06/683679806.db2.gz VLJBJPCXHBBNAX-INIZCTEOSA-N 0 3 356.447 2.500 20 30 FEEDHN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000865007107 683921995 /nfs/dbraw/zinc/92/19/95/683921995.db2.gz NACYAZOKESTFCR-GXTWGEPZSA-N 0 3 357.882 2.375 20 30 FEEDHN C=CCOc1c(Br)cc(CNC[C@H](O)[C@H](C)O)cc1OCC ZINC000865741816 684021848 /nfs/dbraw/zinc/02/18/48/684021848.db2.gz SUDIRVBANHSZPU-FZMZJTMJSA-N 0 3 374.275 2.244 20 30 FEEDHN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000868521134 684505448 /nfs/dbraw/zinc/50/54/48/684505448.db2.gz QEOLRYKUYKZTLB-RDBSUJKOSA-N 0 3 357.882 2.185 20 30 FEEDHN C#CCN(C)CCCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C1=O ZINC000925312118 684548948 /nfs/dbraw/zinc/54/89/48/684548948.db2.gz GMAPNZWWHZTNLM-CQSZACIVSA-N 0 3 353.344 2.253 20 30 FEEDHN CC(C)NC(=O)C(C#N)C(=O)CCN(CC1CC1)C(=O)OC(C)(C)C ZINC000870142472 684687302 /nfs/dbraw/zinc/68/73/02/684687302.db2.gz JJTLRDBYTJXAJY-CQSZACIVSA-N 0 3 351.447 2.257 20 30 FEEDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000875741412 686074668 /nfs/dbraw/zinc/07/46/68/686074668.db2.gz BKYSLDSOWBFAOH-AWEZNQCLSA-N 0 3 350.394 2.091 20 30 FEEDHN C#CC[C@@H](COC)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000875920951 686104142 /nfs/dbraw/zinc/10/41/42/686104142.db2.gz CPTJSZKURGRJSO-HNNXBMFYSA-N 0 3 353.413 2.076 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000876583614 686224473 /nfs/dbraw/zinc/22/44/73/686224473.db2.gz NOJFCDMMSOWIMX-CQSZACIVSA-N 0 3 372.252 2.221 20 30 FEEDHN CN(C)[C@H](CNC(=O)[C@H]1NCCc2cc(C#N)ccc21)c1cccs1 ZINC000876710152 686249893 /nfs/dbraw/zinc/24/98/93/686249893.db2.gz FLAHNLONRGIJOU-AEFFLSMTSA-N 0 3 354.479 2.226 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000876728069 686254347 /nfs/dbraw/zinc/25/43/47/686254347.db2.gz XIZBQSGFOXICQL-KGLIPLIRSA-N 0 3 350.850 2.037 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000876755771 686261634 /nfs/dbraw/zinc/26/16/34/686261634.db2.gz WPCOFCSUYCNAAQ-PBHICJAKSA-N 0 3 351.878 2.370 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000876873667 686285465 /nfs/dbraw/zinc/28/54/65/686285465.db2.gz NOMYLEFOPRELQT-KBPBESRZSA-N 0 3 351.882 2.180 20 30 FEEDHN N#Cc1cnc(NC2CCN([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000882115203 687306141 /nfs/dbraw/zinc/30/61/41/687306141.db2.gz WTCIFLZGKYAEFL-CYBMUJFWSA-N 0 3 351.248 2.381 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883096601 687563728 /nfs/dbraw/zinc/56/37/28/687563728.db2.gz MAEWWFSYGZNHJO-NOZJJQNGSA-N 0 3 364.247 2.320 20 30 FEEDHN Cn1cc(CNCC[C@H]2CCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000883298326 687602365 /nfs/dbraw/zinc/60/23/65/687602365.db2.gz OSSMOPZPJBALKG-QGZVFWFLSA-N 0 3 358.467 2.016 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1cc(F)ccc1Br)C2 ZINC000884069857 687783062 /nfs/dbraw/zinc/78/30/62/687783062.db2.gz QVGCUPYMIPZPSP-BWBHSNQOSA-N 0 3 366.234 2.344 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@H](OC1CCCC1)C(F)(F)F)C2 ZINC000884400570 687863857 /nfs/dbraw/zinc/86/38/57/687863857.db2.gz LZVWUAJDAPPOJK-LZPVFFGRSA-N 0 3 359.392 2.132 20 30 FEEDHN C#CCN(C(=O)c1ccc(OC)c(Br)n1)C1CCN(C)CC1 ZINC000886578836 688279217 /nfs/dbraw/zinc/27/92/17/688279217.db2.gz NFXSCWQEJKUKMA-UHFFFAOYSA-N 0 3 366.259 2.022 20 30 FEEDHN C#CCN(C(=O)c1cn(-c2ccc(Cl)cc2)nn1)C1CCN(C)CC1 ZINC000886583290 688279766 /nfs/dbraw/zinc/27/97/66/688279766.db2.gz KCKCGWXPGZLHKF-UHFFFAOYSA-N 0 3 357.845 2.090 20 30 FEEDHN C#CCN(C(=O)CCc1nnc(-c2ccsc2)o1)C1CCN(C)CC1 ZINC000886585525 688280200 /nfs/dbraw/zinc/28/02/00/688280200.db2.gz ZFKYDRDQELAYPJ-UHFFFAOYSA-N 0 3 358.467 2.287 20 30 FEEDHN N#CC(C(=O)C[C@@H]1CCNC1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000892499168 689204461 /nfs/dbraw/zinc/20/44/61/689204461.db2.gz SOGIRRUMDZMOEJ-UFBFGSQYSA-N 0 3 354.193 2.167 20 30 FEEDHN C=CCC1(NCc2cn(C)nc2I)CCOCC1 ZINC000895259538 689686273 /nfs/dbraw/zinc/68/62/73/689686273.db2.gz LNXFODYTRXZZQW-UHFFFAOYSA-N 0 3 361.227 2.240 20 30 FEEDHN COC(=O)[C@@H]1[C@@H](CNC2(c3cccc(C#N)c3)CCOCC2)C1(F)F ZINC000895277032 689689204 /nfs/dbraw/zinc/68/92/04/689689204.db2.gz BPSIHKHXFCCACT-CABCVRRESA-N 0 3 350.365 2.208 20 30 FEEDHN CC[C@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(C#N)c1 ZINC000902863398 690814682 /nfs/dbraw/zinc/81/46/82/690814682.db2.gz YPTNVFCFGXETTF-ROUUACIJSA-N 0 3 365.499 2.087 20 30 FEEDHN CN(C)CCN(CCCc1ccccc1)C(=O)CNc1ccc(C#N)cn1 ZINC000497663219 887222912 /nfs/dbraw/zinc/22/29/12/887222912.db2.gz LIWJVRJNKCUHKD-UHFFFAOYSA-N 0 3 365.481 2.388 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1COc2ccccc2O1 ZINC000047010950 540284535 /nfs/dbraw/zinc/28/45/35/540284535.db2.gz QTOYLDUWXFZPNI-HXUWFJFHSA-N 0 3 365.433 2.288 20 30 FEEDHN CC(C)N(C)C(=O)C1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000047926880 540335094 /nfs/dbraw/zinc/33/50/94/540335094.db2.gz WFNDEVIOGYNCFZ-IBGZPJMESA-N 0 3 373.497 2.071 20 30 FEEDHN C#CCN1CCC(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000057155893 540773716 /nfs/dbraw/zinc/77/37/16/540773716.db2.gz XVPABJDEYKOPFG-UHFFFAOYSA-N 0 3 353.510 2.285 20 30 FEEDHN C#CCN1CCC(C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000066676537 541358503 /nfs/dbraw/zinc/35/85/03/541358503.db2.gz BDNOVEQHTONSCZ-UHFFFAOYSA-N 0 3 367.493 2.061 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCN1C ZINC000542960255 541509252 /nfs/dbraw/zinc/50/92/52/541509252.db2.gz VPSHLDPLGSQGSM-JSGCOSHPSA-N 0 3 356.405 2.487 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133850 541553248 /nfs/dbraw/zinc/55/32/48/541553248.db2.gz CZUJZPSDTAMGJP-QGZVFWFLSA-N 0 3 370.497 2.273 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000068924181 541641360 /nfs/dbraw/zinc/64/13/60/541641360.db2.gz MYAZJMNNGFIXLX-UHFFFAOYSA-N 0 3 353.325 2.480 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000069122286 541659749 /nfs/dbraw/zinc/65/97/49/541659749.db2.gz RXJNXVGKIRTIGG-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000069500704 541691425 /nfs/dbraw/zinc/69/14/25/541691425.db2.gz FAKDNDXNOUSMDV-IEBWSBKVSA-N 0 3 359.470 2.189 20 30 FEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CSCc1ccc(C#N)cc1 ZINC000072051928 541780888 /nfs/dbraw/zinc/78/08/88/541780888.db2.gz IDEYFEHBLMBMDK-GOSISDBHSA-N 0 3 361.511 2.361 20 30 FEEDHN CCC[C@H]1[C@H](C)CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000072776499 541863893 /nfs/dbraw/zinc/86/38/93/541863893.db2.gz AUBNHCIYIRECTM-QAPCUYQASA-N 0 3 373.501 2.404 20 30 FEEDHN C[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)N1CCCCCC1 ZINC000074248616 542058716 /nfs/dbraw/zinc/05/87/16/542058716.db2.gz JTVRBEBXPRBZMT-QGZVFWFLSA-N 0 3 355.486 2.256 20 30 FEEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000074477564 542088060 /nfs/dbraw/zinc/08/80/60/542088060.db2.gz XZSSZQIXTNECIG-HNNXBMFYSA-N 0 3 354.458 2.126 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000076512816 542288636 /nfs/dbraw/zinc/28/86/36/542288636.db2.gz XYQIFMMXRQCBCN-UHFFFAOYSA-N 0 3 370.453 2.051 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000076593083 542298462 /nfs/dbraw/zinc/29/84/62/542298462.db2.gz HAQQEAPCTYRFCO-QAPCUYQASA-N 0 3 361.511 2.424 20 30 FEEDHN N#Cc1ccc(NCCCCN2CCN(CCO)CC2)c(C(F)(F)F)c1 ZINC000077978674 542434366 /nfs/dbraw/zinc/43/43/66/542434366.db2.gz QGHCOLZYPJTENA-UHFFFAOYSA-N 0 3 370.419 2.379 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055749241 221073198 /nfs/dbraw/zinc/07/31/98/221073198.db2.gz QPYZMQCWPONWBV-QLFBSQMISA-N 0 3 372.513 2.279 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055749241 221073199 /nfs/dbraw/zinc/07/31/99/221073199.db2.gz QPYZMQCWPONWBV-QLFBSQMISA-N 0 3 372.513 2.279 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CCN(CCc2ccccn2)CC1 ZINC000081006002 542623284 /nfs/dbraw/zinc/62/32/84/542623284.db2.gz MVGAFLKHQQSYJJ-NRFANRHFSA-N 0 3 371.529 2.075 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)CC1 ZINC000089212233 542758778 /nfs/dbraw/zinc/75/87/78/542758778.db2.gz UBRRRKCUQSQHKY-HNNXBMFYSA-N 0 3 351.491 2.258 20 30 FEEDHN N#CCC[C@H](NC1CCN(CCN2CCOCC2)CC1)c1ccccc1 ZINC000090665462 542788645 /nfs/dbraw/zinc/78/86/45/542788645.db2.gz VYEGRYLOLRZLJH-NRFANRHFSA-N 0 3 356.514 2.418 20 30 FEEDHN CN(CCC1CCN(c2ccncc2)CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000092820949 542888134 /nfs/dbraw/zinc/88/81/34/542888134.db2.gz OZAHKLVNLVTQDZ-NRFANRHFSA-N 0 3 369.513 2.428 20 30 FEEDHN CC(C)C(=O)NC[C@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000101911687 543049400 /nfs/dbraw/zinc/04/94/00/543049400.db2.gz GNODLBMDMCMBOP-QGZVFWFLSA-N 0 3 356.470 2.371 20 30 FEEDHN C[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)N(C)C1CC1 ZINC000105267918 543167363 /nfs/dbraw/zinc/16/73/63/543167363.db2.gz IOVUGNHJYOQJAX-MRXNPFEDSA-N 0 3 355.486 2.263 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000106038215 543186427 /nfs/dbraw/zinc/18/64/27/543186427.db2.gz DNKPGQYJCCOAGV-UHFFFAOYSA-N 0 3 374.510 2.232 20 30 FEEDHN CC1CCN([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000106334407 543224272 /nfs/dbraw/zinc/22/42/72/543224272.db2.gz OHLITNYIWHTRMY-RBUKOAKNSA-N 0 3 356.470 2.394 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000106338787 543224009 /nfs/dbraw/zinc/22/40/09/543224009.db2.gz GSXJLXLJHVXQOC-QGZVFWFLSA-N 0 3 359.470 2.338 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc([C@H](C)OC)c2)CC1 ZINC000106349069 543224760 /nfs/dbraw/zinc/22/47/60/543224760.db2.gz BLVORRNUZZJVBD-HNNXBMFYSA-N 0 3 359.470 2.489 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000106962145 543258388 /nfs/dbraw/zinc/25/83/88/543258388.db2.gz JDPINBWFLMMLOM-INIZCTEOSA-N 0 3 357.454 2.323 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCCC[C@H]1CN1CCOCC1 ZINC000109820624 543340485 /nfs/dbraw/zinc/34/04/85/543340485.db2.gz ZUBDFUPRPZJXKE-INIZCTEOSA-N 0 3 362.499 2.135 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1csc(-c2nc[nH]n2)n1)C(C)C ZINC000112919777 543468626 /nfs/dbraw/zinc/46/86/26/543468626.db2.gz GZIWKJFTWMFJLB-AWEZNQCLSA-N 0 3 360.487 2.357 20 30 FEEDHN N#CCCn1cc(CNC[C@H]2CN(C3CC3)CCO2)c(-c2ccccc2)n1 ZINC000113338953 543484416 /nfs/dbraw/zinc/48/44/16/543484416.db2.gz OLHMHFIUWNMYGN-FQEVSTJZSA-N 0 3 365.481 2.417 20 30 FEEDHN Cc1nc2n(n1)C[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000113333685 543484490 /nfs/dbraw/zinc/48/44/90/543484490.db2.gz TZPSBXOLUVLMTG-GOSISDBHSA-N 0 3 361.453 2.468 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000114646779 543527994 /nfs/dbraw/zinc/52/79/94/543527994.db2.gz RMHAJBZWNBXVEN-UHFFFAOYSA-N 0 3 372.856 2.394 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(C#N)nc2)CC1 ZINC000115027613 543549499 /nfs/dbraw/zinc/54/94/99/543549499.db2.gz QOJFAKYHIJNYRC-UHFFFAOYSA-N 0 3 363.465 2.021 20 30 FEEDHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000118113913 543645681 /nfs/dbraw/zinc/64/56/81/543645681.db2.gz NLWWFZYRTGEISZ-INIZCTEOSA-N 0 3 360.433 2.407 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)N(C)C1CC1 ZINC000118128973 543647901 /nfs/dbraw/zinc/64/79/01/543647901.db2.gz FZHYSVQCKCNGCB-CYBMUJFWSA-N 0 3 360.483 2.230 20 30 FEEDHN Cn1cc(C(N)=O)cc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000120721763 543683476 /nfs/dbraw/zinc/68/34/76/543683476.db2.gz WKFLLPDLQHMSPR-GFCCVEGCSA-N 0 3 351.391 2.133 20 30 FEEDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000120458613 543679906 /nfs/dbraw/zinc/67/99/06/543679906.db2.gz YGASEBXMVBWUTR-PBHICJAKSA-N 0 3 356.470 2.367 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@](C)(O)c2ccccc2Cl)CC1 ZINC000124462969 543823394 /nfs/dbraw/zinc/82/33/94/543823394.db2.gz XGKPKILNYHBTHZ-GOSISDBHSA-N 0 3 351.878 2.497 20 30 FEEDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125724773 543898434 /nfs/dbraw/zinc/89/84/34/543898434.db2.gz OPXVZIRPXFRBCF-ZDUSSCGKSA-N 0 3 357.426 2.331 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000127735606 544011019 /nfs/dbraw/zinc/01/10/19/544011019.db2.gz ICVQUAIKXCOQDG-ROUUACIJSA-N 0 3 358.467 2.302 20 30 FEEDHN N#C[C@H]1CN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCO1 ZINC000127286792 543983674 /nfs/dbraw/zinc/98/36/74/543983674.db2.gz FAWLZUVOWQMJTD-SFHVURJKSA-N 0 3 358.442 2.308 20 30 FEEDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)CN1C1CC1 ZINC000127325360 543986360 /nfs/dbraw/zinc/98/63/60/543986360.db2.gz DLOZLQIMTZKOLA-RDJZCZTQSA-N 0 3 353.470 2.015 20 30 FEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000127454928 543994184 /nfs/dbraw/zinc/99/41/84/543994184.db2.gz ZKQGUDBRNQDICN-YJBOKZPZSA-N 0 3 356.470 2.341 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)c(F)c1 ZINC000136464746 544373566 /nfs/dbraw/zinc/37/35/66/544373566.db2.gz VORUPENLULVFRI-HNNXBMFYSA-N 0 3 358.417 2.017 20 30 FEEDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000152556649 544667956 /nfs/dbraw/zinc/66/79/56/544667956.db2.gz JEJWKWIQLZLKMO-FQEVSTJZSA-N 0 3 353.422 2.393 20 30 FEEDHN CNS(=O)(=O)c1ccc([C@H](C)NCCOc2cccc(C#N)c2)cc1 ZINC000181052670 327714397 /nfs/dbraw/zinc/71/43/97/327714397.db2.gz HZBUXUNAVRGXJW-AWEZNQCLSA-N 0 3 359.451 2.196 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccsc1 ZINC000188242725 328075277 /nfs/dbraw/zinc/07/52/77/328075277.db2.gz UEYQKCNYPBSUQB-UHFFFAOYSA-N 0 3 356.451 2.149 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000190022158 328183027 /nfs/dbraw/zinc/18/30/27/328183027.db2.gz SAUCFCXSDWCJDE-AWEZNQCLSA-N 0 3 360.845 2.237 20 30 FEEDHN CCc1nnc(C2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000190677334 328224254 /nfs/dbraw/zinc/22/42/54/328224254.db2.gz XCOGGGBLEVUIST-CYBMUJFWSA-N 0 3 352.442 2.445 20 30 FEEDHN CCc1nnc(C2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)[nH]1 ZINC000190697348 328225540 /nfs/dbraw/zinc/22/55/40/328225540.db2.gz JXIYCCLJDHKOAV-KRWDZBQOSA-N 0 3 364.453 2.224 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C1CCCCC1)N(C)C ZINC000191884611 328286817 /nfs/dbraw/zinc/28/68/17/328286817.db2.gz YMJAJNDGSVEUEH-INIZCTEOSA-N 0 3 365.499 2.356 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192980569 328350460 /nfs/dbraw/zinc/35/04/60/328350460.db2.gz BQDVTVARWZGFDJ-GOSISDBHSA-N 0 3 355.463 2.359 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1F ZINC000193572825 328382432 /nfs/dbraw/zinc/38/24/32/328382432.db2.gz GAKKMUUKWPQYRN-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN Cc1ccccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000193572675 328382496 /nfs/dbraw/zinc/38/24/96/328382496.db2.gz LBYSTOVWVSGWCB-UHFFFAOYSA-N 0 3 364.449 2.396 20 30 FEEDHN N#Cc1ccccc1N1CCCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000194267569 328417589 /nfs/dbraw/zinc/41/75/89/328417589.db2.gz QBRNEFNQTPPHGT-UHFFFAOYSA-N 0 3 352.482 2.471 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000079292990 325085811 /nfs/dbraw/zinc/08/58/11/325085811.db2.gz YZIAEDHSJNQDQM-INIZCTEOSA-N 0 3 373.476 2.403 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCCCNCc2cccnc2)cc1Cl ZINC000237713566 328526032 /nfs/dbraw/zinc/52/60/32/328526032.db2.gz WXWUDZRLXPKDJY-UHFFFAOYSA-N 0 3 364.858 2.065 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000121458143 326340236 /nfs/dbraw/zinc/34/02/36/326340236.db2.gz ZLVWQRYNASMBJH-MRXNPFEDSA-N 0 3 372.860 2.187 20 30 FEEDHN CCc1cc(N2CCC[C@@H](NCc3cnc4ccc(C#N)cn34)C2)ncn1 ZINC000123745232 326441581 /nfs/dbraw/zinc/44/15/81/326441581.db2.gz YPEPFTOGRJKYFC-QGZVFWFLSA-N 0 3 361.453 2.317 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000133201117 326604819 /nfs/dbraw/zinc/60/48/19/326604819.db2.gz VLHIBJUQDNTKQS-UHFFFAOYSA-N 0 3 372.513 2.376 20 30 FEEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156909683 326847920 /nfs/dbraw/zinc/84/79/20/326847920.db2.gz BRAGIEYZUVNYKX-BEFAXECRSA-N 0 3 364.511 2.499 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163632125 327055416 /nfs/dbraw/zinc/05/54/16/327055416.db2.gz ANXVBGSAQGFJHG-QGZVFWFLSA-N 0 3 372.513 2.280 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000163632125 327055417 /nfs/dbraw/zinc/05/54/17/327055417.db2.gz ANXVBGSAQGFJHG-QGZVFWFLSA-N 0 3 372.513 2.280 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(N)nc(Cl)c1 ZINC000171206730 327124802 /nfs/dbraw/zinc/12/48/02/327124802.db2.gz SKFUZWHECQHSSC-UHFFFAOYSA-N 0 3 357.845 2.393 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000171697158 327155630 /nfs/dbraw/zinc/15/56/30/327155630.db2.gz FCEBXAIYGJPXPI-KRWDZBQOSA-N 0 3 354.454 2.282 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000172154465 327184303 /nfs/dbraw/zinc/18/43/03/327184303.db2.gz WYSOLNXBVQHSMR-GOSISDBHSA-N 0 3 370.501 2.049 20 30 FEEDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176111305 327435110 /nfs/dbraw/zinc/43/51/10/327435110.db2.gz CEMMZOCYAWPNEL-UHFFFAOYSA-N 0 3 374.441 2.288 20 30 FEEDHN N#Cc1cccc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)n1 ZINC000265475944 329131183 /nfs/dbraw/zinc/13/11/83/329131183.db2.gz BBZCJYMKQCFNRQ-GOSISDBHSA-N 0 3 362.481 2.387 20 30 FEEDHN COCC1(O)CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000270411794 329598705 /nfs/dbraw/zinc/59/87/05/329598705.db2.gz XPEAXGAINQDTLM-UHFFFAOYSA-N 0 3 351.834 2.014 20 30 FEEDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000275171840 330017985 /nfs/dbraw/zinc/01/79/85/330017985.db2.gz BDFJXNXYZBPBCM-DLBZAZTESA-N 0 3 353.426 2.230 20 30 FEEDHN COCCOCCOCCN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000276316375 330140225 /nfs/dbraw/zinc/14/02/25/330140225.db2.gz YAFNZBTYUOHPOK-UHFFFAOYSA-N 0 3 372.469 2.070 20 30 FEEDHN C=CCOc1ccc(CNC[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1 ZINC000554722713 674332585 /nfs/dbraw/zinc/33/25/85/674332585.db2.gz BGDXINPMQACDRY-KRWDZBQOSA-N 0 3 367.515 2.002 20 30 FEEDHN CC(C)C(=O)NCCN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000157590434 545758319 /nfs/dbraw/zinc/75/83/19/545758319.db2.gz CBOVQHJJIMFFPS-UHFFFAOYSA-N 0 3 362.499 2.141 20 30 FEEDHN Cc1cc(C[C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[nH]n1 ZINC000158260096 545840943 /nfs/dbraw/zinc/84/09/43/545840943.db2.gz JGZJSJSXXZYDQU-OAHLLOKOSA-N 0 3 368.485 2.294 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cscn1 ZINC000159331373 545943232 /nfs/dbraw/zinc/94/32/32/545943232.db2.gz BCMYAHKACGMLLX-UHFFFAOYSA-N 0 3 357.483 2.331 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000478465995 561167624 /nfs/dbraw/zinc/16/76/24/561167624.db2.gz DHFKCNIUZHBVPK-OAHLLOKOSA-N 0 3 366.421 2.078 20 30 FEEDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)N(C)CCC#N)CCN1Cc1ccccc1 ZINC000160003614 545999727 /nfs/dbraw/zinc/99/97/27/545999727.db2.gz SAVRIAWBNAVQCG-AEFFLSMTSA-N 0 3 364.515 2.062 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1 ZINC000171621035 546216207 /nfs/dbraw/zinc/21/62/07/546216207.db2.gz HWCSINUBULSVTI-UHFFFAOYSA-N 0 3 370.453 2.052 20 30 FEEDHN CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CCN(C)CC1 ZINC000171667981 546218509 /nfs/dbraw/zinc/21/85/09/546218509.db2.gz OCUZEBFXEXBWCD-UHFFFAOYSA-N 0 3 356.470 2.266 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000171740598 546223657 /nfs/dbraw/zinc/22/36/57/546223657.db2.gz ULLMRLHIVLQHDN-UHFFFAOYSA-N 0 3 367.497 2.430 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)CC1 ZINC000174922621 546304871 /nfs/dbraw/zinc/30/48/71/546304871.db2.gz AQEQWLPMJBZPEH-KBXCAEBGSA-N 0 3 369.465 2.319 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480720828 561215237 /nfs/dbraw/zinc/21/52/37/561215237.db2.gz LBCLCGWWONUEBW-ZDUSSCGKSA-N 0 3 353.463 2.189 20 30 FEEDHN CC(C)OCCN1CCC(N[C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000177491712 546630229 /nfs/dbraw/zinc/63/02/29/546630229.db2.gz GUXZKQSGVKLJKN-MRXNPFEDSA-N 0 3 358.486 2.364 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(CCCCO)C2CC2)cc1 ZINC000480974445 561221645 /nfs/dbraw/zinc/22/16/45/561221645.db2.gz XJRNREBTPCGRPU-ZDUSSCGKSA-N 0 3 365.455 2.141 20 30 FEEDHN CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000177534274 546639203 /nfs/dbraw/zinc/63/92/03/546639203.db2.gz HKCSXQAFPALCGP-ZDUSSCGKSA-N 0 3 368.359 2.068 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000177610995 546653607 /nfs/dbraw/zinc/65/36/07/546653607.db2.gz GHCNYCLKQHDDCH-GHTZIAJQSA-N 0 3 374.481 2.348 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000481132558 561225811 /nfs/dbraw/zinc/22/58/11/561225811.db2.gz XKEVSYTVPAMXTM-QZTJIDSGSA-N 0 3 357.498 2.438 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000178420716 546790873 /nfs/dbraw/zinc/79/08/73/546790873.db2.gz MODIXNYCZSNIRE-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(C#N)c2C)CC1=O ZINC000178625869 546821986 /nfs/dbraw/zinc/82/19/86/546821986.db2.gz BSRIZBVBJMJJPE-IAGOWNOFSA-N 0 3 354.454 2.138 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000180897458 547205511 /nfs/dbraw/zinc/20/55/11/547205511.db2.gz ANOPMGCAYZWOJZ-OAHLLOKOSA-N 0 3 350.422 2.133 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)N(C)C ZINC000181661205 547355159 /nfs/dbraw/zinc/35/51/59/547355159.db2.gz URFUJJMEVJWBFH-LSDHHAIUSA-N 0 3 360.458 2.008 20 30 FEEDHN C=CCCO[C@H](C)C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000483497625 561278474 /nfs/dbraw/zinc/27/84/74/561278474.db2.gz UVIHFRQYXJOCDZ-WBVHZDCISA-N 0 3 359.470 2.304 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cccc2c1CCO2)C(C)C ZINC000483569130 561279845 /nfs/dbraw/zinc/27/98/45/561279845.db2.gz OYVBUZKMBZOBFR-GOSISDBHSA-N 0 3 371.481 2.375 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC2(C(=O)OC)CCCCC2)CC1 ZINC000182518012 547506414 /nfs/dbraw/zinc/50/64/14/547506414.db2.gz RFAHFCQFICPTKZ-UHFFFAOYSA-N 0 3 351.491 2.450 20 30 FEEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)N(CCC#N)CCC#N)cc1 ZINC000183157985 547612643 /nfs/dbraw/zinc/61/26/43/547612643.db2.gz UMUATTJIOSXODF-INIZCTEOSA-N 0 3 364.453 2.487 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCOCC2(CCOCC2)C1 ZINC000184072274 547763826 /nfs/dbraw/zinc/76/38/26/547763826.db2.gz QZNKGVBNBLYQCG-LJQANCHMSA-N 0 3 361.482 2.284 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184414233 547822550 /nfs/dbraw/zinc/82/25/50/547822550.db2.gz LMFCPMWIMOEKOE-INIZCTEOSA-N 0 3 361.486 2.016 20 30 FEEDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1C ZINC000184642012 547859560 /nfs/dbraw/zinc/85/95/60/547859560.db2.gz PNFGYQVMZUAEEG-CJNGLKHVSA-N 0 3 353.430 2.085 20 30 FEEDHN COC(=O)c1cn(C2CCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)nn1 ZINC000184756086 547875707 /nfs/dbraw/zinc/87/57/07/547875707.db2.gz ZUGUDWTVNDXTHC-CQSZACIVSA-N 0 3 369.425 2.193 20 30 FEEDHN C=C(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)c(F)c1 ZINC000184853477 547887392 /nfs/dbraw/zinc/88/73/92/547887392.db2.gz IMRTYYUJGQKBFP-RDTXWAMCSA-N 0 3 365.424 2.108 20 30 FEEDHN C#CCC(C)(C)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000185353608 547974571 /nfs/dbraw/zinc/97/45/71/547974571.db2.gz WCOJPNWYELHPRF-IBGZPJMESA-N 0 3 368.525 2.492 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 ZINC000185463076 547988888 /nfs/dbraw/zinc/98/88/88/547988888.db2.gz MYZCBBBELPWPGA-HUUCEWRRSA-N 0 3 365.499 2.213 20 30 FEEDHN C=CC[C@H](CO)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000185785797 548035947 /nfs/dbraw/zinc/03/59/47/548035947.db2.gz GBFOIELMAAWQBU-NVXWUHKLSA-N 0 3 356.388 2.494 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000185838447 548042922 /nfs/dbraw/zinc/04/29/22/548042922.db2.gz JNRWAISVCCKVAE-QLFBSQMISA-N 0 3 365.499 2.212 20 30 FEEDHN CN(Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)C1CC1 ZINC000186071530 548080106 /nfs/dbraw/zinc/08/01/06/548080106.db2.gz CPFAAEFANJGZID-LJQANCHMSA-N 0 3 370.478 2.142 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000188074883 548270775 /nfs/dbraw/zinc/27/07/75/548270775.db2.gz HGPBETBSIIWMLK-SFHVURJKSA-N 0 3 370.497 2.332 20 30 FEEDHN C=CC[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000189121404 548295207 /nfs/dbraw/zinc/29/52/07/548295207.db2.gz FODYKUPBUDEVOC-IBGZPJMESA-N 0 3 355.482 2.113 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCO[C@@H]2c2nccn2CC)CC1 ZINC000190175477 548319438 /nfs/dbraw/zinc/31/94/38/548319438.db2.gz PBFFQEWILNSBRF-IRXDYDNUSA-N 0 3 361.490 2.073 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Cl)nc2C)CC1 ZINC000192893893 548375393 /nfs/dbraw/zinc/37/53/93/548375393.db2.gz ANPZODCZUFUQAM-UHFFFAOYSA-N 0 3 350.850 2.139 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000195182433 548591782 /nfs/dbraw/zinc/59/17/82/548591782.db2.gz FFDFQPWMILOOSF-UHFFFAOYSA-N 0 3 362.477 2.165 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCN(C)[C@@H](C(C)C)C2)c(OC)c1 ZINC000487995898 561380870 /nfs/dbraw/zinc/38/08/70/561380870.db2.gz BFIVFGZIPXPCLE-RBUKOAKNSA-N 0 3 362.514 2.435 20 30 FEEDHN Cc1cc(CN2CCC(CNC(=O)c3cnn(C)c3)CC2)ccc1C#N ZINC000488441970 561390048 /nfs/dbraw/zinc/39/00/48/561390048.db2.gz LUHRERAHBZGKJS-UHFFFAOYSA-N 0 3 351.454 2.242 20 30 FEEDHN C=CCCCS(=O)(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000489583060 561414783 /nfs/dbraw/zinc/41/47/83/561414783.db2.gz WTGJPRRQMKQGRJ-CALCHBBNSA-N 0 3 358.548 2.494 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000489806006 561419475 /nfs/dbraw/zinc/41/94/75/561419475.db2.gz PJDZWLJXXNWWPX-INIZCTEOSA-N 0 3 373.453 2.498 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000252736475 549678568 /nfs/dbraw/zinc/67/85/68/549678568.db2.gz VQTZYKUKMUBYEY-RTBURBONSA-N 0 3 361.436 2.171 20 30 FEEDHN CC[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000252733894 549678624 /nfs/dbraw/zinc/67/86/24/549678624.db2.gz SYBPTQYLERBKEK-QFBILLFUSA-N 0 3 358.461 2.266 20 30 FEEDHN CN(C)CCOc1ccc(CCNc2ncc([N+](=O)[O-])cc2C#N)cc1 ZINC000264170829 549987605 /nfs/dbraw/zinc/98/76/05/549987605.db2.gz WQRBTCSNIJHNID-UHFFFAOYSA-N 0 3 355.398 2.456 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)CC1 ZINC000264174858 549988165 /nfs/dbraw/zinc/98/81/65/549988165.db2.gz OMXDKZJXIYNNFY-UHFFFAOYSA-N 0 3 366.469 2.244 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000264309550 549993964 /nfs/dbraw/zinc/99/39/64/549993964.db2.gz AIUWGECXTIMBHE-OAHLLOKOSA-N 0 3 359.445 2.335 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(-n3cnnn3)c2)CC1 ZINC000264336588 549994351 /nfs/dbraw/zinc/99/43/51/549994351.db2.gz ASONJNAJNJFUHD-UHFFFAOYSA-N 0 3 355.446 2.133 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000264332322 549994509 /nfs/dbraw/zinc/99/45/09/549994509.db2.gz FOVVODWVNJGSAH-QGZVFWFLSA-N 0 3 372.513 2.471 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 ZINC000264370285 549995345 /nfs/dbraw/zinc/99/53/45/549995345.db2.gz GJSIHOXIBOQMIA-UHFFFAOYSA-N 0 3 353.470 2.364 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC(=O)N(CC)Cc2ccccc2)CC1 ZINC000264418331 549995918 /nfs/dbraw/zinc/99/59/18/549995918.db2.gz VWSUHBYNQCDZJL-UHFFFAOYSA-N 0 3 372.513 2.375 20 30 FEEDHN C#CCNC(=O)c1ccc(NC[C@@H](c2cccc(OC)c2)N(C)C)nc1 ZINC000264908741 550003607 /nfs/dbraw/zinc/00/36/07/550003607.db2.gz SVHKMWFZRFBLNU-SFHVURJKSA-N 0 3 352.438 2.168 20 30 FEEDHN C#CCSCCNCc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000265742441 550013811 /nfs/dbraw/zinc/01/38/11/550013811.db2.gz FHZMZTUUEDMCIF-OAHLLOKOSA-N 0 3 364.511 2.397 20 30 FEEDHN CN(C)Cc1ccc(C(N)=NOCC(=O)N2CCc3sccc3C2)cc1 ZINC000267024883 550026578 /nfs/dbraw/zinc/02/65/78/550026578.db2.gz SDTIZXQJIYIHHX-UHFFFAOYSA-N 0 3 372.494 2.032 20 30 FEEDHN CN(C)Cc1ccc(C(N)=NOCC(=O)N(C)Cc2ccccc2)cc1 ZINC000267026020 550026999 /nfs/dbraw/zinc/02/69/99/550026999.db2.gz TTZWVZRWLKFAFD-UHFFFAOYSA-N 0 3 354.454 2.044 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@](C)(C(=O)OC)C2)c(OC)c1 ZINC000268333110 550051013 /nfs/dbraw/zinc/05/10/13/550051013.db2.gz JFYBZCPWKVGYAG-OXQOHEQNSA-N 0 3 363.454 2.048 20 30 FEEDHN C[C@H]1CN(CC2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000268517008 550080400 /nfs/dbraw/zinc/08/04/00/550080400.db2.gz UDOOQVZMRGXBCE-KBPBESRZSA-N 0 3 359.430 2.187 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2CC(=O)NCC)CC1 ZINC000493784822 561458248 /nfs/dbraw/zinc/45/82/48/561458248.db2.gz IGJJOECYPULAIS-QGZVFWFLSA-N 0 3 350.507 2.117 20 30 FEEDHN N#Cc1cccc(C2(NC[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000271747274 550399280 /nfs/dbraw/zinc/39/92/80/550399280.db2.gz DVOLEHPFHPYIHR-KRWDZBQOSA-N 0 3 353.378 2.485 20 30 FEEDHN CN1CC=C(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000271899892 550409590 /nfs/dbraw/zinc/40/95/90/550409590.db2.gz OLYLKOYOAVIIFH-UHFFFAOYSA-N 0 3 369.469 2.204 20 30 FEEDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1O ZINC000272614783 550460900 /nfs/dbraw/zinc/46/09/00/550460900.db2.gz OYZTYXCPDFMZHJ-UHFFFAOYSA-N 0 3 353.422 2.476 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@H]2C1 ZINC000272620336 550461142 /nfs/dbraw/zinc/46/11/42/550461142.db2.gz LSHUPPZSWHFXLN-YJBOKZPZSA-N 0 3 354.454 2.220 20 30 FEEDHN C=CCS(=O)(=O)CCNC1CCN(Cc2ccccc2Cl)CC1 ZINC000272881257 550474991 /nfs/dbraw/zinc/47/49/91/550474991.db2.gz QOONYYCUTLXXTH-UHFFFAOYSA-N 0 3 356.919 2.495 20 30 FEEDHN C#CCN(C(=O)NCCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000274044915 550520790 /nfs/dbraw/zinc/52/07/90/550520790.db2.gz BDNWADPJMAUEFK-UHFFFAOYSA-N 0 3 354.498 2.396 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(OC(F)F)n(C)n1)C(C)C ZINC000274299605 550531568 /nfs/dbraw/zinc/53/15/68/550531568.db2.gz RYVWRSDHZCCZMN-CQSZACIVSA-N 0 3 356.417 2.450 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1=CCN(C)CC1 ZINC000275938348 550575524 /nfs/dbraw/zinc/57/55/24/550575524.db2.gz APGHRECMHBRATC-CQSZACIVSA-N 0 3 354.454 2.193 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](N2CCCC2=O)C1)C(C)C ZINC000276661634 550582815 /nfs/dbraw/zinc/58/28/15/550582815.db2.gz QLXWSPQHQDFRCO-ROUUACIJSA-N 0 3 362.518 2.091 20 30 FEEDHN C[C@](O)(CNCc1cn(CCC#N)nc1-c1ccncc1)c1ccco1 ZINC000278564679 550799555 /nfs/dbraw/zinc/79/95/55/550799555.db2.gz CXENDVYEVLUBQO-IBGZPJMESA-N 0 3 351.410 2.449 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000279685771 550916857 /nfs/dbraw/zinc/91/68/57/550916857.db2.gz HIQXODTYJNPSIH-OAQYLSRUSA-N 0 3 358.445 2.415 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000280927834 551046491 /nfs/dbraw/zinc/04/64/91/551046491.db2.gz VQIPQJJNBLPFLR-RTBURBONSA-N 0 3 364.449 2.005 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000280927826 551046528 /nfs/dbraw/zinc/04/65/28/551046528.db2.gz VQIPQJJNBLPFLR-RBUKOAKNSA-N 0 3 364.449 2.005 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000281012771 551054997 /nfs/dbraw/zinc/05/49/97/551054997.db2.gz HKXPFKYUGIEORK-LPHOPBHVSA-N 0 3 353.422 2.073 20 30 FEEDHN CCNC(=O)COc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000281465253 551100682 /nfs/dbraw/zinc/10/06/82/551100682.db2.gz BCSXAUCHOFPGFF-UHFFFAOYSA-N 0 3 353.422 2.372 20 30 FEEDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(C#N)s1 ZINC000496863286 561496163 /nfs/dbraw/zinc/49/61/63/561496163.db2.gz GSVMDMWMFOJGQE-AWEZNQCLSA-N 0 3 363.483 2.499 20 30 FEEDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000281877289 551151894 /nfs/dbraw/zinc/15/18/94/551151894.db2.gz BCVMIZBDMGSPBY-GFCCVEGCSA-N 0 3 361.389 2.292 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1OCCN(C)C ZINC000281973178 551164492 /nfs/dbraw/zinc/16/44/92/551164492.db2.gz ZJHXPGCYCHMYHY-IEBWSBKVSA-N 0 3 361.486 2.407 20 30 FEEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCNC1=O ZINC000282399232 551223164 /nfs/dbraw/zinc/22/31/64/551223164.db2.gz PMWSVSNNJRCHQK-OAHLLOKOSA-N 0 3 374.510 2.428 20 30 FEEDHN C=CCn1c(C)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000282655677 551256576 /nfs/dbraw/zinc/25/65/76/551256576.db2.gz QSXYMPWXWNIRLH-UHFFFAOYSA-N 0 3 354.502 2.027 20 30 FEEDHN C[C@](C#N)(NC(=O)CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1)C1CC1 ZINC000282722817 551263667 /nfs/dbraw/zinc/26/36/67/551263667.db2.gz MCCIKMAYKRHWMZ-RTBURBONSA-N 0 3 361.873 2.440 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000283689569 551409827 /nfs/dbraw/zinc/40/98/27/551409827.db2.gz GXTLNRMLQXOLPW-UHFFFAOYSA-N 0 3 355.482 2.334 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000284299258 551518241 /nfs/dbraw/zinc/51/82/41/551518241.db2.gz YORPFBKAIVTQMC-UHFFFAOYSA-N 0 3 369.465 2.215 20 30 FEEDHN Cn1nccc1[C@H]1[C@H](NCc2ccc(C#N)s2)CCC(=O)N1C1CC1 ZINC000284487811 551560177 /nfs/dbraw/zinc/56/01/77/551560177.db2.gz JLAANLDLRNMUNV-CRAIPNDOSA-N 0 3 355.467 2.338 20 30 FEEDHN C=CCOc1cccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000284545392 551574139 /nfs/dbraw/zinc/57/41/39/551574139.db2.gz NJCWYMCDBOWTDO-YLJYHZDGSA-N 0 3 354.454 2.437 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCCCO[C@H](C)c2ccccc2)CC1 ZINC000284600336 551587069 /nfs/dbraw/zinc/58/70/69/551587069.db2.gz GRKNPCIVKPGWIF-QGZVFWFLSA-N 0 3 373.497 2.037 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498913564 561537615 /nfs/dbraw/zinc/53/76/15/561537615.db2.gz AFRBAQNFTICGJY-ZXYWRSMDSA-N 0 3 358.490 2.304 20 30 FEEDHN CN(C)CCn1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1=O ZINC000285666138 551792076 /nfs/dbraw/zinc/79/20/76/551792076.db2.gz DPWUIEIVBCCJIS-UHFFFAOYSA-N 0 3 370.428 2.337 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286245808 551865335 /nfs/dbraw/zinc/86/53/35/551865335.db2.gz ZTXUGQLFPYXOGB-VBSBHUPXSA-N 0 3 355.482 2.499 20 30 FEEDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCCCC#N)CCN1Cc1ccccc1 ZINC000286363176 551878909 /nfs/dbraw/zinc/87/89/09/551878909.db2.gz CNGDKHZVZXXILS-PKOBYXMFSA-N 0 3 370.497 2.308 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](c2ncccc2C)C(C)C)CC1 ZINC000286366731 551879044 /nfs/dbraw/zinc/87/90/44/551879044.db2.gz CBZPWDUFWCMXJE-SFHVURJKSA-N 0 3 372.513 2.360 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000286508140 551894181 /nfs/dbraw/zinc/89/41/81/551894181.db2.gz KTJZQFVEIDIBHX-APWZRJJASA-N 0 3 373.472 2.345 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000286549437 551898903 /nfs/dbraw/zinc/89/89/03/551898903.db2.gz PZSUIGJHTMWOSB-UHFFFAOYSA-N 0 3 372.473 2.043 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000286627002 551908201 /nfs/dbraw/zinc/90/82/01/551908201.db2.gz MEKWKAJFEVEKDS-QFBILLFUSA-N 0 3 355.482 2.363 20 30 FEEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C(=O)NCCCCC#N ZINC000286685657 551914687 /nfs/dbraw/zinc/91/46/87/551914687.db2.gz IZBWEUITDLODCB-LJQANCHMSA-N 0 3 370.497 2.167 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000286743373 551920836 /nfs/dbraw/zinc/92/08/36/551920836.db2.gz OOAKFMAROVDLDM-SWLSCSKDSA-N 0 3 353.875 2.459 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](c2cccnc2)C(C)C)CC1 ZINC000286740583 551921060 /nfs/dbraw/zinc/92/10/60/551921060.db2.gz SDZDCVHAGURVCC-LJQANCHMSA-N 0 3 372.513 2.094 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000286801233 551927336 /nfs/dbraw/zinc/92/73/36/551927336.db2.gz UXLOBFOZCFTLKS-UHFFFAOYSA-N 0 3 351.397 2.007 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000286825116 551929892 /nfs/dbraw/zinc/92/98/92/551929892.db2.gz WUEDJMWENFBKLU-LPHOPBHVSA-N 0 3 373.472 2.345 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)Cc2ccc(C)cc2C)CC1 ZINC000286843091 551932508 /nfs/dbraw/zinc/93/25/08/551932508.db2.gz YIWGUXYZFNPJBE-QGZVFWFLSA-N 0 3 357.498 2.117 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H](O)CC(C)(C)C)cc1 ZINC000287159854 551970909 /nfs/dbraw/zinc/97/09/09/551970909.db2.gz MRAJOCGIVBSAQY-GXTWGEPZSA-N 0 3 367.471 2.291 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)C(C)(C)O)cc1 ZINC000287325894 551989617 /nfs/dbraw/zinc/98/96/17/551989617.db2.gz OKQGESQEPGMVIL-LLVKDONJSA-N 0 3 353.444 2.043 20 30 FEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(CCCOC)CC1 ZINC000287388927 551997548 /nfs/dbraw/zinc/99/75/48/551997548.db2.gz JXZJFGKHURBROL-HXUWFJFHSA-N 0 3 357.498 2.421 20 30 FEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288187122 552106605 /nfs/dbraw/zinc/10/66/05/552106605.db2.gz BFTPKKAHFRAIAP-IAGOWNOFSA-N 0 3 358.461 2.324 20 30 FEEDHN Cc1onc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000499846592 561559686 /nfs/dbraw/zinc/55/96/86/561559686.db2.gz JZRJZOHXBOGZPA-KBXCAEBGSA-N 0 3 352.438 2.424 20 30 FEEDHN CC(C)[C@@](C)(NCCC(=O)Nc1sc2c(c1C#N)CCCC2)C(N)=O ZINC000289345254 552304663 /nfs/dbraw/zinc/30/46/63/552304663.db2.gz MIAJTLIVWPZFIO-GOSISDBHSA-N 0 3 362.499 2.317 20 30 FEEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cc2noc(C)c2C#N)cc1 ZINC000500390598 561571435 /nfs/dbraw/zinc/57/14/35/561571435.db2.gz RQSTXMBELCXTDH-LJQANCHMSA-N 0 3 368.437 2.359 20 30 FEEDHN C=C[C@@H](CO)NCc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000289725772 552368256 /nfs/dbraw/zinc/36/82/56/552368256.db2.gz FXPODSUCPXNXMS-KRWDZBQOSA-N 0 3 362.470 2.113 20 30 FEEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(N2CCCNC2=O)cc1 ZINC000291267865 552608218 /nfs/dbraw/zinc/60/82/18/552608218.db2.gz PHYQKCAPNSHIAT-OAHLLOKOSA-N 0 3 357.458 2.019 20 30 FEEDHN C=C(C)COCCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000501282055 561594062 /nfs/dbraw/zinc/59/40/62/561594062.db2.gz FDSMKQKKPPVCNL-UHFFFAOYSA-N 0 3 356.470 2.434 20 30 FEEDHN N#Cc1ccc(OC2CCN(C[C@H](O)COCC(F)(F)F)CC2)cc1 ZINC000292621763 552743786 /nfs/dbraw/zinc/74/37/86/552743786.db2.gz MWWWCYDTKDJPBJ-AWEZNQCLSA-N 0 3 358.360 2.341 20 30 FEEDHN C#CCNC(=O)CCN(CCCn1ccnc1)Cc1ccccc1OCC ZINC000292677570 552748535 /nfs/dbraw/zinc/74/85/35/552748535.db2.gz BORRPTZIILSMEG-UHFFFAOYSA-N 0 3 368.481 2.314 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ncc(-c3ccc(OC)cc3)n2C)CC1 ZINC000294458887 552907808 /nfs/dbraw/zinc/90/78/08/552907808.db2.gz PEMTZJUBSYECPK-UHFFFAOYSA-N 0 3 352.438 2.379 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295115687 552960498 /nfs/dbraw/zinc/96/04/98/552960498.db2.gz JBMGDGXAHMEZQO-IEBWSBKVSA-N 0 3 374.529 2.429 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000295787218 553058899 /nfs/dbraw/zinc/05/88/99/553058899.db2.gz UUOCSRKOOOPFNO-GOSISDBHSA-N 0 3 365.474 2.477 20 30 FEEDHN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000295830154 553064906 /nfs/dbraw/zinc/06/49/06/553064906.db2.gz AWYJGVOZGCLWFQ-MRXNPFEDSA-N 0 3 360.506 2.011 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000296280267 553134374 /nfs/dbraw/zinc/13/43/74/553134374.db2.gz BRLGDINQRDHRCX-CQSZACIVSA-N 0 3 371.441 2.061 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000296471250 553165343 /nfs/dbraw/zinc/16/53/43/553165343.db2.gz VZNGNMAYHFUZIN-CQSZACIVSA-N 0 3 363.458 2.028 20 30 FEEDHN CC(C)(CNS(=O)(=O)Cc1ccc(F)cc1C#N)CN1CCCC1 ZINC000296518188 553172889 /nfs/dbraw/zinc/17/28/89/553172889.db2.gz ZYLVTNWVQVJRST-UHFFFAOYSA-N 0 3 353.463 2.239 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000296541965 553177078 /nfs/dbraw/zinc/17/70/78/553177078.db2.gz QGWJWVAEWYAISA-ZDUSSCGKSA-N 0 3 359.405 2.191 20 30 FEEDHN C[C@@H]1CCN(C)CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000502977814 561631392 /nfs/dbraw/zinc/63/13/92/561631392.db2.gz BFWPIQZZAJGDNG-NVXWUHKLSA-N 0 3 373.476 2.402 20 30 FEEDHN C[C@H]1CCN(C)CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000502977815 561631408 /nfs/dbraw/zinc/63/14/08/561631408.db2.gz BFWPIQZZAJGDNG-RDJZCZTQSA-N 0 3 373.476 2.402 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ncc(C(F)(F)F)cn2)CC1 ZINC000297651524 553320598 /nfs/dbraw/zinc/32/05/98/553320598.db2.gz MKQIWQSRSQUKGH-UHFFFAOYSA-N 0 3 357.380 2.335 20 30 FEEDHN CCN1CCC(N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=N)CC1 ZINC000298282204 553407855 /nfs/dbraw/zinc/40/78/55/553407855.db2.gz ATSWSNZATMRUDL-UHFFFAOYSA-N 0 3 353.470 2.130 20 30 FEEDHN N#Cc1ccsc1N1CC[C@@H](N[C@H](CC(N)=O)C2CCCCC2)C1=O ZINC000298720393 553463909 /nfs/dbraw/zinc/46/39/09/553463909.db2.gz BCUDJHHGEKGONW-HUUCEWRRSA-N 0 3 360.483 2.139 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000299188625 553527228 /nfs/dbraw/zinc/52/72/28/553527228.db2.gz COYHQXMBMUGOET-UHFFFAOYSA-N 0 3 371.268 2.281 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000299305971 553545511 /nfs/dbraw/zinc/54/55/11/553545511.db2.gz ACRFCIJQYZTBEH-AWEZNQCLSA-N 0 3 358.486 2.445 20 30 FEEDHN CN1CCC[C@@H](N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C1 ZINC000301254070 553636188 /nfs/dbraw/zinc/63/61/88/553636188.db2.gz DAYNMZKXISESLZ-CQSZACIVSA-N 0 3 353.392 2.188 20 30 FEEDHN Cc1ccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N2CCCC2)o1 ZINC000301407304 553649246 /nfs/dbraw/zinc/64/92/46/553649246.db2.gz MRVALXOJDXVSML-KRWDZBQOSA-N 0 3 374.466 2.356 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000328609472 553795766 /nfs/dbraw/zinc/79/57/66/553795766.db2.gz MTZYILOXVBPPTO-JZXOWHBKSA-N 0 3 351.491 2.067 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328697683 553808855 /nfs/dbraw/zinc/80/88/55/553808855.db2.gz DRBFSHMKXAKZAF-MDNKFWRPSA-N 0 3 371.481 2.184 20 30 FEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000328867054 553835906 /nfs/dbraw/zinc/83/59/06/553835906.db2.gz GWQMJPFWNPVSDW-CZUORRHYSA-N 0 3 360.433 2.061 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000328935244 553848561 /nfs/dbraw/zinc/84/85/61/553848561.db2.gz AHEXUIMHTLVRGG-NTDBWNAOSA-N 0 3 353.507 2.027 20 30 FEEDHN CN1C[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@H](c2ccccc2)C1 ZINC000328959673 553853535 /nfs/dbraw/zinc/85/35/35/553853535.db2.gz KCTMYDZVNBABEY-MHORFTMASA-N 0 3 369.465 2.216 20 30 FEEDHN CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCOC3(CCCCC3)C2)N(C)C1 ZINC000328994888 553860840 /nfs/dbraw/zinc/86/08/40/553860840.db2.gz GGJWHFXXFBDLAI-ULQDDVLXSA-N 0 3 353.507 2.433 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@H](C)CN1CCCCC1 ZINC000329033810 553868508 /nfs/dbraw/zinc/86/85/08/553868508.db2.gz MDSOEFMGIMRSTJ-ZJPYXAASSA-N 0 3 353.507 2.291 20 30 FEEDHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329193566 553899282 /nfs/dbraw/zinc/89/92/82/553899282.db2.gz UFRSWMWIHXXLMF-NVXWUHKLSA-N 0 3 350.507 2.250 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329237928 553908179 /nfs/dbraw/zinc/90/81/79/553908179.db2.gz PHLXLRLBWBMIMS-SJORKVTESA-N 0 3 365.522 2.045 20 30 FEEDHN CC[C@@H]1CN(C(=O)NC2CCN(C3CCCC3)CC2)C[C@@H](C)S1(=O)=O ZINC000329257113 553912144 /nfs/dbraw/zinc/91/21/44/553912144.db2.gz DVEPHPPOJYYOOR-RHSMWYFYSA-N 0 3 371.547 2.205 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)N[C@@H](c1nccn1C)C1CCOCC1 ZINC000329259298 553912916 /nfs/dbraw/zinc/91/29/16/553912916.db2.gz AFFQPYPZMJLUTN-HYVNUMGLSA-N 0 3 363.506 2.074 20 30 FEEDHN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000329385943 553935961 /nfs/dbraw/zinc/93/59/61/553935961.db2.gz PMOQYAWCNKFCJN-JZXOWHBKSA-N 0 3 358.486 2.496 20 30 FEEDHN CN(C(=O)NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCC[C@H]1O ZINC000329461393 553951166 /nfs/dbraw/zinc/95/11/66/553951166.db2.gz SQNKEMSVGFASEW-HZPDHXFCSA-N 0 3 355.548 2.497 20 30 FEEDHN CN1CCN(CC2(C)CCN(c3c(C#N)nnc4ccccc43)CC2)CC1 ZINC000329471589 553952396 /nfs/dbraw/zinc/95/23/96/553952396.db2.gz ZCDRJXAEUMAGSV-UHFFFAOYSA-N 0 3 364.497 2.355 20 30 FEEDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CCn2cncc2C1 ZINC000329474310 553953230 /nfs/dbraw/zinc/95/32/30/553953230.db2.gz SSVDNCUVIHFMTH-BEFAXECRSA-N 0 3 354.454 2.169 20 30 FEEDHN [O-]C(=[NH+]CCn1cc(Br)cn1)N1CCN(C2CCCC2)CC1 ZINC000329686738 553988635 /nfs/dbraw/zinc/98/86/35/553988635.db2.gz APFSTOVALHWBGM-UHFFFAOYSA-N 0 3 370.295 2.120 20 30 FEEDHN O=C(NCCn1cc(Br)cn1)N1CCN(C2CCCC2)CC1 ZINC000329686738 553988640 /nfs/dbraw/zinc/98/86/40/553988640.db2.gz APFSTOVALHWBGM-UHFFFAOYSA-N 0 3 370.295 2.120 20 30 FEEDHN C[C@H](NC(=O)N[C@H]1CCN(c2ncccc2Cl)C1)C1=CCN(C)CC1 ZINC000329707909 553993042 /nfs/dbraw/zinc/99/30/42/553993042.db2.gz LWBKMTMQJQGMEV-ZFWWWQNUSA-N 0 3 363.893 2.468 20 30 FEEDHN C[C@@H]1C[C@@H](CCNC(=O)N2CCN(CC3CCOCC3)CC2)CCO1 ZINC000329761220 554001234 /nfs/dbraw/zinc/00/12/34/554001234.db2.gz RDPKIAUNRYZEEV-SJORKVTESA-N 0 3 353.507 2.150 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)C1 ZINC000329781431 554004712 /nfs/dbraw/zinc/00/47/12/554004712.db2.gz NHCWJBCNCLOQHZ-AJYBTWMASA-N 0 3 374.529 2.123 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)CCN1C ZINC000329792969 554007095 /nfs/dbraw/zinc/00/70/95/554007095.db2.gz APOZJTQFRFJGIA-ZBFHGGJFSA-N 0 3 364.515 2.293 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)N[C@H]3CCCc4c[nH]nc43)CC2)CC1 ZINC000329810309 554009689 /nfs/dbraw/zinc/00/96/89/554009689.db2.gz CHJGYSMLGIFWIG-KRWDZBQOSA-N 0 3 374.533 2.051 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329825601 554012825 /nfs/dbraw/zinc/01/28/25/554012825.db2.gz IESYCSFMWHYUTE-HRCADAONSA-N 0 3 354.516 2.356 20 30 FEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000329957199 554038743 /nfs/dbraw/zinc/03/87/43/554038743.db2.gz QAPQEUJQPDCZAA-WCVJEAGWSA-N 0 3 351.470 2.162 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000329963837 554039632 /nfs/dbraw/zinc/03/96/32/554039632.db2.gz QCYRSEDTGIHDPL-UHFFFAOYSA-N 0 3 374.533 2.066 20 30 FEEDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1CC[C@H](CCO)C1 ZINC000329964579 554040351 /nfs/dbraw/zinc/04/03/51/554040351.db2.gz UOVWCQWPZXXVHQ-LRVUVFPRSA-N 0 3 363.424 2.410 20 30 FEEDHN CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000329999645 554047031 /nfs/dbraw/zinc/04/70/31/554047031.db2.gz VBPNGXOGZDATIO-KRWDZBQOSA-N 0 3 350.507 2.109 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000330030339 554051858 /nfs/dbraw/zinc/05/18/58/554051858.db2.gz RLOSVQCCVCRMEC-INIZCTEOSA-N 0 3 374.533 2.440 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)N[C@H]2CCCOC2)[C@@H]1c1cnn(C)c1 ZINC000330187479 554080816 /nfs/dbraw/zinc/08/08/16/554080816.db2.gz SZMHJMAPQXIUEK-RYQLBKOJSA-N 0 3 363.506 2.218 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1F ZINC000330197201 554083251 /nfs/dbraw/zinc/08/32/51/554083251.db2.gz RMHXLHQKCCDXFB-KDOFPFPSSA-N 0 3 363.458 2.335 20 30 FEEDHN CC[C@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1nnc2n1CCCCC2 ZINC000330200833 554083813 /nfs/dbraw/zinc/08/38/13/554083813.db2.gz XAALGJNNICPKPJ-KXBFYZLASA-N 0 3 360.506 2.397 20 30 FEEDHN CCN1CCN([C@H](C)CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)CC1 ZINC000330210097 554085938 /nfs/dbraw/zinc/08/59/38/554085938.db2.gz CCXXGKCSMDSEDZ-HUUCEWRRSA-N 0 3 373.501 2.444 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C12CCC2 ZINC000330269636 554096475 /nfs/dbraw/zinc/09/64/75/554096475.db2.gz SDMIDUKPBCNWJI-RYQLBKOJSA-N 0 3 365.518 2.433 20 30 FEEDHN Cc1noc(C)c1C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000330272288 554097123 /nfs/dbraw/zinc/09/71/23/554097123.db2.gz XJXXISGKXDXRHZ-UONOGXRCSA-N 0 3 364.490 2.322 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](Oc3ncccc3F)C2)CCN1C ZINC000330271082 554097206 /nfs/dbraw/zinc/09/72/06/554097206.db2.gz VJCRFVTWNFXPNT-KFWWJZLASA-N 0 3 350.438 2.461 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCCC1)N1CCC[C@H]1CCO ZINC000330280710 554098282 /nfs/dbraw/zinc/09/82/82/554098282.db2.gz SVSCADJRIMUEDO-INIZCTEOSA-N 0 3 355.548 2.499 20 30 FEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000330325331 554105425 /nfs/dbraw/zinc/10/54/25/554105425.db2.gz JFVPFAVNNFESNB-OWQGQXMQSA-N 0 3 363.506 2.245 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000330325582 554105583 /nfs/dbraw/zinc/10/55/83/554105583.db2.gz URZHWAMHLRKCJJ-GDBMZVCRSA-N 0 3 353.507 2.432 20 30 FEEDHN Cc1nnc([C@H](C)NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)s1 ZINC000330324234 554105606 /nfs/dbraw/zinc/10/56/06/554105606.db2.gz UAPOWZBHJQINSA-NEPJUHHUSA-N 0 3 353.492 2.007 20 30 FEEDHN CNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000330541278 554135654 /nfs/dbraw/zinc/13/56/54/554135654.db2.gz ABDPVRUINZLSMX-AWEZNQCLSA-N 0 3 353.488 2.020 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330654887 554151468 /nfs/dbraw/zinc/15/14/68/554151468.db2.gz NHEJUQJMLKVATD-CALCHBBNSA-N 0 3 366.550 2.418 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)CC)CC1 ZINC000330663626 554153063 /nfs/dbraw/zinc/15/30/63/554153063.db2.gz VFZPDQMCZWYOEB-ZBFHGGJFSA-N 0 3 353.532 2.091 20 30 FEEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000330970053 554195576 /nfs/dbraw/zinc/19/55/76/554195576.db2.gz FGYXXDQHUCAVAY-ZFWWWQNUSA-N 0 3 351.495 2.184 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000331189703 554228076 /nfs/dbraw/zinc/22/80/76/554228076.db2.gz QDLCVECXFZJEEW-XJKCOSOUSA-N 0 3 365.455 2.249 20 30 FEEDHN CN1CCN(CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1(C)C ZINC000331270673 554239235 /nfs/dbraw/zinc/23/92/35/554239235.db2.gz MPDJWKGWHNTVJF-UHFFFAOYSA-N 0 3 353.398 2.086 20 30 FEEDHN C[C@@H]1CN(C2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)CCO1 ZINC000331391202 554256670 /nfs/dbraw/zinc/25/66/70/554256670.db2.gz KBFVOQRDWSNDAO-MJGOQNOKSA-N 0 3 355.482 2.471 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000331614004 554295076 /nfs/dbraw/zinc/29/50/76/554295076.db2.gz KKDLTLQVHFYTLB-LZQZEXGQSA-N 0 3 356.470 2.370 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000331629947 554298234 /nfs/dbraw/zinc/29/82/34/554298234.db2.gz SHCKQRXAALIPHA-PXCRPINLSA-N 0 3 367.449 2.019 20 30 FEEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000509181774 561788687 /nfs/dbraw/zinc/78/86/87/561788687.db2.gz CYSSTRKHMWTCIS-CYBMUJFWSA-N 0 3 372.457 2.061 20 30 FEEDHN CCN1CCC(N(C)C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000331896793 554341878 /nfs/dbraw/zinc/34/18/78/554341878.db2.gz YHUQYTGEMORSSZ-SFHVURJKSA-N 0 3 369.513 2.421 20 30 FEEDHN C=C[C@H](C)NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000332372369 554434290 /nfs/dbraw/zinc/43/42/90/554434290.db2.gz BNJDMQZWEZETTP-ROUUACIJSA-N 0 3 357.502 2.200 20 30 FEEDHN CN1CC[C@@H]2CN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]21 ZINC000333887316 554652529 /nfs/dbraw/zinc/65/25/29/554652529.db2.gz XXBXFGPOFBGCOP-APWZRJJASA-N 0 3 356.445 2.076 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@@H](C2CC2)N(C)Cc2ccccc2)C1=O ZINC000348608152 554691346 /nfs/dbraw/zinc/69/13/46/554691346.db2.gz ZWEUMDPFOUUBEM-ROUUACIJSA-N 0 3 357.454 2.020 20 30 FEEDHN CSC1c2cc(-c3noc([C@@H](C)n4cnc(C#N)n4)n3)ccc2NC1=O ZINC000350110726 554760801 /nfs/dbraw/zinc/76/08/01/554760801.db2.gz LYPQKQSNOFUERP-AMIZOPFISA-N 0 3 367.394 2.165 20 30 FEEDHN C#CCN1CCC(C(=O)NCc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000361419145 554921296 /nfs/dbraw/zinc/92/12/96/554921296.db2.gz ZDRZFOFOLKCUHD-UHFFFAOYSA-N 0 3 358.829 2.351 20 30 FEEDHN CN1CCN(C[C@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)CC1 ZINC000361831923 554937001 /nfs/dbraw/zinc/93/70/01/554937001.db2.gz XRFMQRITKWKQRQ-CQSZACIVSA-N 0 3 367.419 2.436 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000363418150 555100362 /nfs/dbraw/zinc/10/03/62/555100362.db2.gz MVIXZKQAVXEZDU-UKBAYJJMSA-N 0 3 371.481 2.331 20 30 FEEDHN COC(=O)[C@H]1C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC000364030202 555236455 /nfs/dbraw/zinc/23/64/55/555236455.db2.gz JQHHLPOPEXSVAL-APIJFGDWSA-N 0 3 351.447 2.209 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12)C(C)C ZINC000512392993 561903123 /nfs/dbraw/zinc/90/31/23/561903123.db2.gz MWYWXZKSPHCTEM-OKZBNKHCSA-N 0 3 362.518 2.138 20 30 FEEDHN C=CCOCCCC(=O)NCC1(N2CCN(C)CC2)CCCCCC1 ZINC000365592473 555617302 /nfs/dbraw/zinc/61/73/02/555617302.db2.gz ONHRUXPJQGQDBE-UHFFFAOYSA-N 0 3 351.535 2.426 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000365712445 555647978 /nfs/dbraw/zinc/64/79/78/555647978.db2.gz OROKQXSTWRSTRF-RTBURBONSA-N 0 3 365.481 2.183 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000513608541 561944333 /nfs/dbraw/zinc/94/43/33/561944333.db2.gz JKAOWUNEWSYQDW-FPOVZHCZSA-N 0 3 363.461 2.480 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000366832872 555946619 /nfs/dbraw/zinc/94/66/19/555946619.db2.gz PPJBCDYGZLLHDB-MJGOQNOKSA-N 0 3 374.460 2.047 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000366832870 555946637 /nfs/dbraw/zinc/94/66/37/555946637.db2.gz PPJBCDYGZLLHDB-HKUYNNGSSA-N 0 3 374.460 2.047 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](c2ccccc2)[C@H]2CCOC2)nc1 ZINC000367307791 556014012 /nfs/dbraw/zinc/01/40/12/556014012.db2.gz LHBDKYWCWDEMRW-HKUYNNGSSA-N 0 3 371.462 2.094 20 30 FEEDHN CCc1nnc(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c(C#N)c1CC ZINC000367460623 556056299 /nfs/dbraw/zinc/05/62/99/556056299.db2.gz FZEOHXCCQNLQOU-HNNXBMFYSA-N 0 3 356.518 2.078 20 30 FEEDHN C[C@@H](NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000514875639 561984661 /nfs/dbraw/zinc/98/46/61/561984661.db2.gz KONKEJPAYYOQIY-OWCLPIDISA-N 0 3 356.470 2.115 20 30 FEEDHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N1CCCC1 ZINC000514991892 561990545 /nfs/dbraw/zinc/99/05/45/561990545.db2.gz LWAVPXMLLLVTFW-DZGCQCFKSA-N 0 3 374.872 2.165 20 30 FEEDHN CS(=O)(=O)N1CCC[C@@H]1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000515096529 561996105 /nfs/dbraw/zinc/99/61/05/561996105.db2.gz MVSWZPMCSNUBEG-CYBMUJFWSA-N 0 3 361.389 2.091 20 30 FEEDHN CN1CC[C@H](NCC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 ZINC000368230978 556254264 /nfs/dbraw/zinc/25/42/64/556254264.db2.gz HJVTXXNNWLUYKF-FPOVZHCZSA-N 0 3 366.440 2.349 20 30 FEEDHN N#Cc1cnn2cc(CNc3ccccc3CN3CCC(O)CC3)cnc12 ZINC000515301003 562004153 /nfs/dbraw/zinc/00/41/53/562004153.db2.gz BRQFRIJLEAYTEF-UHFFFAOYSA-N 0 3 362.437 2.170 20 30 FEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000368480562 556322088 /nfs/dbraw/zinc/32/20/88/556322088.db2.gz BZYLKPDYTWQJPM-RLLQIKCJSA-N 0 3 354.498 2.486 20 30 FEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000368480563 556322205 /nfs/dbraw/zinc/32/22/05/556322205.db2.gz BZYLKPDYTWQJPM-SXLOBPIMSA-N 0 3 354.498 2.486 20 30 FEEDHN Cc1c(CNC[C@H](O)COc2ccc(CC#N)cc2)cccc1[N+](=O)[O-] ZINC000515348011 562006247 /nfs/dbraw/zinc/00/62/47/562006247.db2.gz SOYPLGHZTNFFOQ-KRWDZBQOSA-N 0 3 355.394 2.499 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](N)C2)cc1 ZINC000515498799 562013238 /nfs/dbraw/zinc/01/32/38/562013238.db2.gz BSXYCPKGTCIURF-RBUKOAKNSA-N 0 3 373.453 2.344 20 30 FEEDHN CO/N=C/c1ccc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000368621532 556365615 /nfs/dbraw/zinc/36/56/15/556365615.db2.gz ACOCKULYHGCDRV-CJLVFECKSA-N 0 3 372.513 2.157 20 30 FEEDHN C[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CCN1C1CCN(C)CC1 ZINC000369108019 556507327 /nfs/dbraw/zinc/50/73/27/556507327.db2.gz YSRSNTRWDDPZMC-AOCRQIFASA-N 0 3 361.534 2.126 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)s1 ZINC000369179545 556527459 /nfs/dbraw/zinc/52/74/59/556527459.db2.gz SXCREYVYZCJENQ-IUODEOHRSA-N 0 3 351.497 2.257 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2[C@H]2CCCN2C(=O)CC)CC1 ZINC000369403711 556592577 /nfs/dbraw/zinc/59/25/77/556592577.db2.gz WGXNXHSPKADGJD-QZTJIDSGSA-N 0 3 362.518 2.212 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2[C@H]2CCCN2C(C)=O)CC1 ZINC000369433518 556599526 /nfs/dbraw/zinc/59/95/26/556599526.db2.gz FKVQTJYEXUHAMZ-MOPGFXCFSA-N 0 3 362.518 2.212 20 30 FEEDHN C#CCNC(=O)c1ccc(NC[C@@H]2CCN(C)[C@H]2c2cccs2)nc1 ZINC000369561385 556631564 /nfs/dbraw/zinc/63/15/64/556631564.db2.gz PAUPTKKTTRXFGP-KBXCAEBGSA-N 0 3 354.479 2.611 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000369677307 556665781 /nfs/dbraw/zinc/66/57/81/556665781.db2.gz DVGMLZXGUHUZMJ-RLLQIKCJSA-N 0 3 367.474 2.482 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000369682576 556667391 /nfs/dbraw/zinc/66/73/91/556667391.db2.gz FRQVKZJZXYZOSJ-RHQZKXFESA-N 0 3 350.503 2.363 20 30 FEEDHN N#Cc1ccccc1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000369798938 556698733 /nfs/dbraw/zinc/69/87/33/556698733.db2.gz IOXGOONSCYQSSV-KDURUIRLSA-N 0 3 367.474 2.311 20 30 FEEDHN Cc1cc(CN2CCC(N(C)CC(=O)NC3(C#N)CCCCC3)CC2)on1 ZINC000369906046 556726211 /nfs/dbraw/zinc/72/62/11/556726211.db2.gz KQJVXEAFRIDVCC-UHFFFAOYSA-N 0 3 373.501 2.222 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000370304293 556835374 /nfs/dbraw/zinc/83/53/74/556835374.db2.gz XOXAOTTXJAZFQN-RBUKOAKNSA-N 0 3 373.497 2.382 20 30 FEEDHN C=CCOc1ccccc1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000370422786 556867969 /nfs/dbraw/zinc/86/79/69/556867969.db2.gz IUZPRPOWLVMUKH-GOSISDBHSA-N 0 3 357.498 2.492 20 30 FEEDHN C=CCC[C@H](O)CN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000370504294 556893441 /nfs/dbraw/zinc/89/34/41/556893441.db2.gz GGLDWERJSOJWRF-INIZCTEOSA-N 0 3 372.918 2.410 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370521884 556898639 /nfs/dbraw/zinc/89/86/39/556898639.db2.gz IWOXKVPUPOLJMA-QAPCUYQASA-N 0 3 350.422 2.377 20 30 FEEDHN C=C[C@H](CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000371174359 557096661 /nfs/dbraw/zinc/09/66/61/557096661.db2.gz SRKZHUSGPNOIST-APWZRJJASA-N 0 3 355.482 2.287 20 30 FEEDHN C=C[C@@H](CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000371174360 557096711 /nfs/dbraw/zinc/09/67/11/557096711.db2.gz SRKZHUSGPNOIST-LPHOPBHVSA-N 0 3 355.482 2.287 20 30 FEEDHN C=CCOc1ccc(CC(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC000517284942 562084329 /nfs/dbraw/zinc/08/43/29/562084329.db2.gz PELGYIDYQUDUAM-HXUWFJFHSA-N 0 3 371.525 2.421 20 30 FEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000517375344 562087681 /nfs/dbraw/zinc/08/76/81/562087681.db2.gz UZMKTAIERDQZLT-WMLDXEAASA-N 0 3 371.462 2.284 20 30 FEEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](C3CC3)C2)CC1 ZINC000371474076 557192592 /nfs/dbraw/zinc/19/25/92/557192592.db2.gz VSZWSIJBMPRSQP-SJORKVTESA-N 0 3 358.511 2.189 20 30 FEEDHN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000518397039 562110726 /nfs/dbraw/zinc/11/07/26/562110726.db2.gz DAXZENZXRXTZIW-CQSZACIVSA-N 0 3 353.463 2.237 20 30 FEEDHN C=CCn1c(CC2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000518442895 562111507 /nfs/dbraw/zinc/11/15/07/562111507.db2.gz BSCDIOSSDBISKV-IBGZPJMESA-N 0 3 372.561 2.413 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC3(CCOCC3)CC2)CC1 ZINC000372133080 557388434 /nfs/dbraw/zinc/38/84/34/557388434.db2.gz BTYSJWGJTWYJMY-UHFFFAOYSA-N 0 3 351.491 2.008 20 30 FEEDHN CC(C)(O)CN1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000372549358 557500522 /nfs/dbraw/zinc/50/05/22/557500522.db2.gz YZJYITUOCIAVBS-UHFFFAOYSA-N 0 3 359.470 2.021 20 30 FEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CCN(Cc2ccncc2)CC1 ZINC000372582533 557511934 /nfs/dbraw/zinc/51/19/34/557511934.db2.gz HKMLPJHXMQJCSQ-HXUWFJFHSA-N 0 3 357.502 2.032 20 30 FEEDHN C=CCN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372597806 557515824 /nfs/dbraw/zinc/51/58/24/557515824.db2.gz BZSYVBXTUGMSPD-RBUKOAKNSA-N 0 3 355.482 2.144 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccn(C)n2)c2ccc(F)cc2)CC1 ZINC000373151807 557639121 /nfs/dbraw/zinc/63/91/21/557639121.db2.gz JKBRMJZIJNXADA-LJQANCHMSA-N 0 3 354.429 2.110 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000373273546 557662857 /nfs/dbraw/zinc/66/28/57/557662857.db2.gz JUQBSZABUWUXNM-RTBURBONSA-N 0 3 363.546 2.234 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCOC3(CCOCC3)CC2)cc1 ZINC000373402764 557687678 /nfs/dbraw/zinc/68/76/78/557687678.db2.gz CSJXNUIJZKXWKL-GOSISDBHSA-N 0 3 353.422 2.039 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000520844442 562164971 /nfs/dbraw/zinc/16/49/71/562164971.db2.gz XGASRJASRNDGDJ-GJZGRUSLSA-N 0 3 374.510 2.477 20 30 FEEDHN C=CCN1CC[C@H](N2CCC(c3c[nH]c4ccc(C(N)=O)cc43)CC2)C1=O ZINC000374172034 557836913 /nfs/dbraw/zinc/83/69/13/557836913.db2.gz KSPWFDIAFQHTTB-IBGZPJMESA-N 0 3 366.465 2.233 20 30 FEEDHN CC(C)N1CCCC[C@H]1C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000375019331 557965201 /nfs/dbraw/zinc/96/52/01/557965201.db2.gz VNQSDWFUSVFBNR-SFHVURJKSA-N 0 3 355.486 2.619 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000375706345 558070372 /nfs/dbraw/zinc/07/03/72/558070372.db2.gz JLQFIBABHBZNRK-RTBURBONSA-N 0 3 364.449 2.244 20 30 FEEDHN N#Cc1ccc(CNC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)o1 ZINC000375737899 558074920 /nfs/dbraw/zinc/07/49/20/558074920.db2.gz HJSRIKWVJBMPKG-LBPRGKRZSA-N 0 3 351.453 2.013 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000376332408 558159294 /nfs/dbraw/zinc/15/92/94/558159294.db2.gz KUJYTSIXVGTIEF-MJGOQNOKSA-N 0 3 370.497 2.188 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@]2(CO)Cc2ccccc2)CC1 ZINC000376411278 558169612 /nfs/dbraw/zinc/16/96/12/558169612.db2.gz QLIAUAPMRIRQAY-OAQYLSRUSA-N 0 3 357.498 2.416 20 30 FEEDHN C[C@@H]1CCCCN1CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376923465 558240166 /nfs/dbraw/zinc/24/01/66/558240166.db2.gz BAHDVLZDPICMDX-CQSZACIVSA-N 0 3 353.430 2.135 20 30 FEEDHN C=CCN(C(=O)NCC[C@@H]1CCC(=O)N1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000377265184 558301622 /nfs/dbraw/zinc/30/16/22/558301622.db2.gz LVCOKKRBOJPTTM-OALUTQOASA-N 0 3 370.497 2.127 20 30 FEEDHN COC1CCN(C2(CN[C@@H](C(N)=O)c3ccc(C#N)cc3)CCCC2)CC1 ZINC000522370639 562197568 /nfs/dbraw/zinc/19/75/68/562197568.db2.gz BBWIBGBOABZMRM-LJQANCHMSA-N 0 3 370.497 2.098 20 30 FEEDHN CCCN(CC#N)C(=O)c1nnn(-c2cccc3c2CCN(CC)C3)c1C ZINC000377618233 558378355 /nfs/dbraw/zinc/37/83/55/558378355.db2.gz YHKJNVZLGLBXOA-UHFFFAOYSA-N 0 3 366.469 2.330 20 30 FEEDHN CN1CC[C@H](NC[C@@H](O)COc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000377644514 558384850 /nfs/dbraw/zinc/38/48/50/558384850.db2.gz FNFCGUMNMPVGFD-HLAWJBBLSA-N 0 3 369.440 2.472 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000410405011 558755509 /nfs/dbraw/zinc/75/55/09/558755509.db2.gz CFIMCJYFGXRNNX-DOTOQJQBSA-N 0 3 352.504 2.056 20 30 FEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000411645015 558935204 /nfs/dbraw/zinc/93/52/04/558935204.db2.gz SAHIKWXEKWIULH-CQSZACIVSA-N 0 3 350.438 2.302 20 30 FEEDHN Cc1cccc(N(CCC#N)C(=O)CNC(C)(C)CN2CCOCC2)c1C ZINC000412002795 559001508 /nfs/dbraw/zinc/00/15/08/559001508.db2.gz MZSMUGGUYOVSCW-UHFFFAOYSA-N 0 3 372.513 2.251 20 30 FEEDHN Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413217091 559089241 /nfs/dbraw/zinc/08/92/41/559089241.db2.gz XGQOTINGUVNBIS-RDJZCZTQSA-N 0 3 357.458 2.237 20 30 FEEDHN C=CCSCCNC(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000414860082 559191426 /nfs/dbraw/zinc/19/14/26/559191426.db2.gz OEIWSDTXBIPUSI-UHFFFAOYSA-N 0 3 361.389 2.138 20 30 FEEDHN N#CCc1ccc(NC(=O)C(=O)N[C@H](CN)C2CCCCC2)c(Cl)c1 ZINC000415426300 559235193 /nfs/dbraw/zinc/23/51/93/559235193.db2.gz MXQGPOYLHUBDSI-MRXNPFEDSA-N 0 3 362.861 2.368 20 30 FEEDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415502565 559244219 /nfs/dbraw/zinc/24/42/19/559244219.db2.gz TYAYTUBVKSZRMU-NSHDSACASA-N 0 3 350.488 2.489 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CNCC[C@@H]1c1ccc(OC)cc1 ZINC000419153570 559430257 /nfs/dbraw/zinc/43/02/57/559430257.db2.gz OUQOJJVHAGFPQC-IPELMVKDSA-N 0 3 373.497 2.118 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)c1ccc(F)c(F)c1 ZINC000419678966 559453542 /nfs/dbraw/zinc/45/35/42/559453542.db2.gz OWIWNSNSOCSQCU-SJORKVTESA-N 0 3 365.424 2.332 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419978970 559467379 /nfs/dbraw/zinc/46/73/79/559467379.db2.gz OTBINPUGRNQSQV-LJQANCHMSA-N 0 3 357.498 2.268 20 30 FEEDHN CN(C)CC[C@](C)(O)CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000420004516 559468552 /nfs/dbraw/zinc/46/85/52/559468552.db2.gz WJTBETXAHQOTPS-FQEVSTJZSA-N 0 3 356.470 2.378 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000422301035 559576949 /nfs/dbraw/zinc/57/69/49/559576949.db2.gz WBAYHCKEJDQNPH-MOPGFXCFSA-N 0 3 369.509 2.423 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000422422009 559587197 /nfs/dbraw/zinc/58/71/97/559587197.db2.gz FCUTYASMZGRBMR-APWZRJJASA-N 0 3 355.482 2.057 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422540332 559593752 /nfs/dbraw/zinc/59/37/52/559593752.db2.gz JYXDMEGAGDFGRJ-OALUTQOASA-N 0 3 357.498 2.231 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000422544944 559594049 /nfs/dbraw/zinc/59/40/49/559594049.db2.gz REIZGGCPWOXOGD-UXHICEINSA-N 0 3 369.509 2.377 20 30 FEEDHN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H](N)CCCC#N)ccc21 ZINC000424110469 559654999 /nfs/dbraw/zinc/65/49/99/559654999.db2.gz CYDUEOFNKZYTGN-KRWDZBQOSA-N 0 3 369.469 2.469 20 30 FEEDHN C[C@@H](C(=O)Nc1cccc(NC(=O)[C@H](N)CCCC#N)c1)n1cccn1 ZINC000424106264 559655045 /nfs/dbraw/zinc/65/50/45/559655045.db2.gz XHXKQLGPUDUELA-XJKSGUPXSA-N 0 3 354.414 2.042 20 30 FEEDHN CC[C@@H](C(=O)N1CCC(NC(=O)[C@@H](N)CCCC#N)CC1)c1ccccc1 ZINC000424109958 559655078 /nfs/dbraw/zinc/65/50/78/559655078.db2.gz BNZJVQBFLKDENQ-MOPGFXCFSA-N 0 3 370.497 2.309 20 30 FEEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccc(Br)cc1 ZINC000424124173 559655449 /nfs/dbraw/zinc/65/54/49/559655449.db2.gz LZOSPLQEKJJWJS-RISCZKNCSA-N 0 3 354.248 2.354 20 30 FEEDHN COC(=O)COc1ccc(NC(=O)[C@H](N)CCCC#N)c2ccccc12 ZINC000424128661 559655612 /nfs/dbraw/zinc/65/56/12/559655612.db2.gz RRCIVLIAZMGJLE-OAHLLOKOSA-N 0 3 355.394 2.351 20 30 FEEDHN COc1ccccc1[C@@H](CNC(=O)[C@@H](N)CCCC#N)N1CCCCC1 ZINC000424134848 559655725 /nfs/dbraw/zinc/65/57/25/559655725.db2.gz ODBSYIXWSDSXGG-ZWKOTPCHSA-N 0 3 358.486 2.360 20 30 FEEDHN C=CCCn1cc(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000424701029 559674046 /nfs/dbraw/zinc/67/40/46/559674046.db2.gz SNNNBECMMQERCS-SFHVURJKSA-N 0 3 353.470 2.448 20 30 FEEDHN C=CCCn1cc(C(=O)N[C@H](CN2CCCC2)c2ccc(OC)cc2)nn1 ZINC000424760266 559675833 /nfs/dbraw/zinc/67/58/33/559675833.db2.gz IHRBUXYASCJQNT-GOSISDBHSA-N 0 3 369.469 2.430 20 30 FEEDHN C=CCCn1cc(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)nn1 ZINC000424781001 559676540 /nfs/dbraw/zinc/67/65/40/559676540.db2.gz WLOHJEXVFOYSDC-IBGZPJMESA-N 0 3 353.470 2.495 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000425384998 559699209 /nfs/dbraw/zinc/69/92/09/559699209.db2.gz MWOWPWGOTDZSKV-QFBILLFUSA-N 0 3 368.481 2.164 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425883594 559723947 /nfs/dbraw/zinc/72/39/47/559723947.db2.gz MRCMABLJPUQGRW-IKGGRYGDSA-N 0 3 370.497 2.314 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527335316 562285815 /nfs/dbraw/zinc/28/58/15/562285815.db2.gz XWZNJIDWBRJTLA-AQFXKWCLSA-N 0 3 357.458 2.037 20 30 FEEDHN C=CC[C@@H](C)[C@H](C)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428411764 559774991 /nfs/dbraw/zinc/77/49/91/559774991.db2.gz FWZMKKCBJJTZDD-KGLIPLIRSA-N 0 3 366.483 2.021 20 30 FEEDHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1CC(=O)NCC#N ZINC000429367785 559797002 /nfs/dbraw/zinc/79/70/02/559797002.db2.gz USPQSKXTDJBHEE-FQEVSTJZSA-N 0 3 356.514 2.291 20 30 FEEDHN COC(=O)COc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430177493 559814908 /nfs/dbraw/zinc/81/49/08/559814908.db2.gz MMDKFSSARZGBCT-GOSISDBHSA-N 0 3 367.405 2.158 20 30 FEEDHN N#CCC1(CNC(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000430850369 559829079 /nfs/dbraw/zinc/82/90/79/559829079.db2.gz UWUZANZHJUTMDH-UHFFFAOYSA-N 0 3 356.470 2.136 20 30 FEEDHN CC[C@@H]1CN(CCNCc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000433342100 559877692 /nfs/dbraw/zinc/87/76/92/559877692.db2.gz VACRWUHUDRWJQZ-LJQANCHMSA-N 0 3 368.485 2.059 20 30 FEEDHN CCN1CCN(CCCCNC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433354339 559878135 /nfs/dbraw/zinc/87/81/35/559878135.db2.gz NYPVETXORIFLTB-HXUWFJFHSA-N 0 3 356.514 2.293 20 30 FEEDHN N#CCCn1cc(CN2CCC(n3cncn3)CC2)c(-c2ccncc2)n1 ZINC000435135805 559916866 /nfs/dbraw/zinc/91/68/66/559916866.db2.gz VBKSNXUXTYQENN-UHFFFAOYSA-N 0 3 362.441 2.287 20 30 FEEDHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435651770 559927265 /nfs/dbraw/zinc/92/72/65/559927265.db2.gz XQTYSGKTNNXGFA-INIZCTEOSA-N 0 3 360.433 2.407 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440043664 560003718 /nfs/dbraw/zinc/00/37/18/560003718.db2.gz NKDUNXAQDRHNJV-QLFBSQMISA-N 0 3 367.490 2.483 20 30 FEEDHN COc1cc(CNCc2ccnc(N3CCN(C)CC3)c2)ccc1C#N ZINC000440827373 560019146 /nfs/dbraw/zinc/01/91/46/560019146.db2.gz QQMARQFGBQFWIM-UHFFFAOYSA-N 0 3 351.454 2.003 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1C ZINC000442151251 560045095 /nfs/dbraw/zinc/04/50/95/560045095.db2.gz INXLALGEWUCRGS-ZWNOBZJWSA-N 0 3 368.359 2.114 20 30 FEEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)C1 ZINC000442774925 560057064 /nfs/dbraw/zinc/05/70/64/560057064.db2.gz BDTWMHNQDXJVPL-KBAYOESNSA-N 0 3 357.454 2.142 20 30 FEEDHN CC(C)NC(=O)c1cnn2c1C[C@H](CNCc1ccc(C#N)cc1F)CC2 ZINC000442998408 560065544 /nfs/dbraw/zinc/06/55/44/560065544.db2.gz JANPVMVEOGCTFK-OAHLLOKOSA-N 0 3 369.444 2.384 20 30 FEEDHN CN(C)CCOc1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000443334734 560080606 /nfs/dbraw/zinc/08/06/06/560080606.db2.gz MVRYLBSLAKSYCK-UHFFFAOYSA-N 0 3 372.469 2.012 20 30 FEEDHN CN(C)CCOC1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450328320 560258857 /nfs/dbraw/zinc/25/88/57/560258857.db2.gz GSZFRNDQUCEOGR-UHFFFAOYSA-N 0 3 353.264 2.263 20 30 FEEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(C#N)n2C)cc1 ZINC000450523838 560265185 /nfs/dbraw/zinc/26/51/85/560265185.db2.gz KEFPISDCXJBIAZ-SFHVURJKSA-N 0 3 352.438 2.472 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1COCCO1 ZINC000450746905 560272009 /nfs/dbraw/zinc/27/20/09/560272009.db2.gz SATONRNBXQEQCE-HNNXBMFYSA-N 0 3 352.504 2.000 20 30 FEEDHN N#Cc1cc(N2CCN([C@H]3CCNC(=O)CC3)CC2)ccc1C(F)(F)F ZINC000450890134 560276803 /nfs/dbraw/zinc/27/68/03/560276803.db2.gz FVVLCHCOBYBQOM-CQSZACIVSA-N 0 3 366.387 2.368 20 30 FEEDHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000451593606 560316503 /nfs/dbraw/zinc/31/65/03/560316503.db2.gz SSEGZJOZWUHUPO-SQNIBIBYSA-N 0 3 355.438 2.375 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451684217 560321787 /nfs/dbraw/zinc/32/17/87/560321787.db2.gz UNOOVMKOEQIVRZ-SJORKVTESA-N 0 3 366.383 2.496 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000451706005 560323388 /nfs/dbraw/zinc/32/33/88/560323388.db2.gz JFOKBTBWXOAHKZ-NQIIRXRSSA-N 0 3 356.514 2.495 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451904108 560336128 /nfs/dbraw/zinc/33/61/28/560336128.db2.gz JNULCSXGTASVIP-UXLLHSPISA-N 0 3 359.388 2.400 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000452125290 560353007 /nfs/dbraw/zinc/35/30/07/560353007.db2.gz YPHLGCZZAXZJFI-AWEZNQCLSA-N 0 3 362.440 2.343 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000453583786 560389758 /nfs/dbraw/zinc/38/97/58/560389758.db2.gz DFBZQIKQDOUBEX-UHFFFAOYSA-N 0 3 364.449 2.396 20 30 FEEDHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@@H]1N(C)C ZINC000453672764 560395536 /nfs/dbraw/zinc/39/55/36/560395536.db2.gz LMYKFYILRXWNTO-CJNGLKHVSA-N 0 3 372.469 2.083 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000453711258 560398731 /nfs/dbraw/zinc/39/87/31/560398731.db2.gz DMWJRTYONDJMFV-MRXNPFEDSA-N 0 3 372.469 2.227 20 30 FEEDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453740024 560400764 /nfs/dbraw/zinc/40/07/64/560400764.db2.gz IMPIHDSMAXHQQK-AWEZNQCLSA-N 0 3 362.861 2.335 20 30 FEEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453920821 560413285 /nfs/dbraw/zinc/41/32/85/560413285.db2.gz RNTQFRZDTXEPGT-IJEWVQPXSA-N 0 3 372.494 2.182 20 30 FEEDHN C=C(CC)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000454020566 560422578 /nfs/dbraw/zinc/42/25/78/560422578.db2.gz CKVHPVFOTOVGHI-UHFFFAOYSA-N 0 3 358.486 2.238 20 30 FEEDHN C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000454053069 560425236 /nfs/dbraw/zinc/42/52/36/560425236.db2.gz HWFSGERNURJZEQ-GOSISDBHSA-N 0 3 359.470 2.054 20 30 FEEDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000454102152 560429452 /nfs/dbraw/zinc/42/94/52/560429452.db2.gz OWQPCISOOBEEMO-QGZVFWFLSA-N 0 3 372.469 2.249 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CC[C@@H](C)O2)cc1 ZINC000455257106 560475877 /nfs/dbraw/zinc/47/58/77/560475877.db2.gz PNRYMZMTOXRWOR-MBNYWOFBSA-N 0 3 351.428 2.061 20 30 FEEDHN Cc1ncccc1NC(=O)[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457247673 560558113 /nfs/dbraw/zinc/55/81/13/560558113.db2.gz WRAZFVUNZCHWPN-WMLDXEAASA-N 0 3 361.405 2.087 20 30 FEEDHN C[C@H](Cc1cnn(C)c1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000457493140 560570273 /nfs/dbraw/zinc/57/02/73/560570273.db2.gz DXODCNKCGSAQEZ-MRXNPFEDSA-N 0 3 353.470 2.061 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000457636838 560579117 /nfs/dbraw/zinc/57/91/17/560579117.db2.gz TXDXPPGKCWNYID-QXAKKESOSA-N 0 3 362.470 2.298 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)C(C)(C)O ZINC000459126095 560668352 /nfs/dbraw/zinc/66/83/52/560668352.db2.gz ZCALYWQNBCDRPI-UHFFFAOYSA-N 0 3 360.502 2.429 20 30 FEEDHN CC[C@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000459930124 560720682 /nfs/dbraw/zinc/72/06/82/560720682.db2.gz SHGHXZAIPQMHLP-OAQYLSRUSA-N 0 3 370.497 2.097 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000467022456 560901724 /nfs/dbraw/zinc/90/17/24/560901724.db2.gz IOSAOSGOWRJFBK-RHSMWYFYSA-N 0 3 357.454 2.325 20 30 FEEDHN CN(C)[C@]1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCSC1 ZINC000469323362 560952416 /nfs/dbraw/zinc/95/24/16/560952416.db2.gz ZSFNGFYDJXWCGQ-SFHVURJKSA-N 0 3 356.451 2.380 20 30 FEEDHN CC(C#N)C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000469720286 560962862 /nfs/dbraw/zinc/96/28/62/560962862.db2.gz LRZHQGZVIYKWLX-LBPRGKRZSA-N 0 3 354.376 2.233 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@](C)(C(=O)OC)C1)C(C)C ZINC000470900298 560993242 /nfs/dbraw/zinc/99/32/42/560993242.db2.gz OTQZABMHPMQCNG-QFBILLFUSA-N 0 3 351.491 2.280 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000471111559 560998464 /nfs/dbraw/zinc/99/84/64/560998464.db2.gz CGCLTXAKFUSTMR-IBGZPJMESA-N 0 3 358.401 2.069 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)N1CCOCC1 ZINC000471620480 561008916 /nfs/dbraw/zinc/00/89/16/561008916.db2.gz JSDKPEOXJPLRPR-UXHICEINSA-N 0 3 368.481 2.104 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(C(=O)N2CCCCC2)CC1 ZINC000528346123 562323854 /nfs/dbraw/zinc/32/38/54/562323854.db2.gz PENWZIRNKUKYBW-LJQANCHMSA-N 0 3 371.481 2.022 20 30 FEEDHN CCCCN(C)C(=O)C1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528352957 562324331 /nfs/dbraw/zinc/32/43/31/562324331.db2.gz GWZJJNVKFAMLQK-IBGZPJMESA-N 0 3 373.497 2.268 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000528479153 562331585 /nfs/dbraw/zinc/33/15/85/562331585.db2.gz VQBPOWASPYEBLW-GUDVDZBRSA-N 0 3 364.445 2.223 20 30 FEEDHN CC(C)[C@]1(CO)CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528511157 562333199 /nfs/dbraw/zinc/33/31/99/562333199.db2.gz DMNJHAHGRUXDMM-OAQYLSRUSA-N 0 3 354.450 2.017 20 30 FEEDHN COc1cccc(N2CC[C@H](NC[C@@H](O)COc3ccccc3C#N)C2)c1 ZINC000530231301 562403127 /nfs/dbraw/zinc/40/31/27/562403127.db2.gz OBAJDAQTMHMCJT-PKOBYXMFSA-N 0 3 367.449 2.175 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@H](Cc2cnn(C)c2)C1 ZINC000530627744 562418358 /nfs/dbraw/zinc/41/83/58/562418358.db2.gz SDZHSYXJHCJCLP-XLIONFOSSA-N 0 3 355.482 2.453 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1 ZINC000531192328 562437888 /nfs/dbraw/zinc/43/78/88/562437888.db2.gz DVLYCCDWTCGLRY-UHFFFAOYSA-N 0 3 355.413 2.357 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000534275797 562529511 /nfs/dbraw/zinc/52/95/11/562529511.db2.gz CEYYIPINPOONDS-UHFFFAOYSA-N 0 3 356.470 2.038 20 30 FEEDHN Cc1nc(C(C#N)C(=O)Nc2cc(-n3cnnn3)ccc2C)sc1C ZINC000535062592 562550101 /nfs/dbraw/zinc/55/01/01/562550101.db2.gz UTDRWGWZGDQUNV-CYBMUJFWSA-N 0 3 353.411 2.290 20 30 FEEDHN C=CC[C@H](CO)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000540997776 562599932 /nfs/dbraw/zinc/59/99/32/562599932.db2.gz LYJHGZBBEQIUCO-MRXNPFEDSA-N 0 3 353.507 2.036 20 30 FEEDHN CC(C)(CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCCCC1 ZINC000546171958 562634712 /nfs/dbraw/zinc/63/47/12/562634712.db2.gz GPQCDLNALMQHPT-UHFFFAOYSA-N 0 3 370.501 2.049 20 30 FEEDHN Cn1ncc(Br)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000601746480 567834198 /nfs/dbraw/zinc/83/41/98/567834198.db2.gz QRRCZAHRXZDYIZ-CYBMUJFWSA-N 0 3 372.226 2.053 20 30 FEEDHN Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCC[C@H]2C#N)ccc1OCCN(C)C ZINC000602061723 567922654 /nfs/dbraw/zinc/92/26/54/567922654.db2.gz GSSJUKQFSQLIRH-RDJZCZTQSA-N 0 3 372.469 2.025 20 30 FEEDHN C[C@@H](C#N)CN(C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)C1CC1 ZINC000602125393 567938988 /nfs/dbraw/zinc/93/89/88/567938988.db2.gz JTSJDLUKWNLXQP-ZDUSSCGKSA-N 0 3 355.442 2.068 20 30 FEEDHN CNC(=O)[C@@H](CNCc1cc(C#N)cs1)Cc1ccc(OC)c(F)c1 ZINC000568390766 568036543 /nfs/dbraw/zinc/03/65/43/568036543.db2.gz IASMXOWXFJEDFH-CQSZACIVSA-N 0 3 361.442 2.462 20 30 FEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)n1cc(CCN2CCCCC2)nn1 ZINC000603177773 568068254 /nfs/dbraw/zinc/06/82/54/568068254.db2.gz UERDDPVHZXLQAV-MRXNPFEDSA-N 0 3 358.490 2.210 20 30 FEEDHN C[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1cncc(F)c1 ZINC000330319327 568237645 /nfs/dbraw/zinc/23/76/45/568237645.db2.gz RGCNGEKFMXYRQQ-UONOGXRCSA-N 0 3 350.438 2.381 20 30 FEEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)c1sccc1-c1nnn[n-]1)C(C)C ZINC000735419620 598811639 /nfs/dbraw/zinc/81/16/39/598811639.db2.gz YEEGAIJRWALOOT-CQSZACIVSA-N 0 3 360.487 2.357 20 30 FEEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)c1sccc1-c1nn[n-]n1)C(C)C ZINC000735419620 598811641 /nfs/dbraw/zinc/81/16/41/598811641.db2.gz YEEGAIJRWALOOT-CQSZACIVSA-N 0 3 360.487 2.357 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824586006 608484611 /nfs/dbraw/zinc/48/46/11/608484611.db2.gz WFZIOESJVQVCGF-NSHDSACASA-N 0 3 367.438 2.479 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824586006 608484612 /nfs/dbraw/zinc/48/46/12/608484612.db2.gz WFZIOESJVQVCGF-NSHDSACASA-N 0 3 367.438 2.479 20 30 FEEDHN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000826176547 608492732 /nfs/dbraw/zinc/49/27/32/608492732.db2.gz UFDLTGWTLNDWOK-ZDUSSCGKSA-N 0 3 364.409 2.477 20 30 FEEDHN C#C[C@@H](NC(=O)N[C@H](C)CCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811904770 674637717 /nfs/dbraw/zinc/63/77/17/674637717.db2.gz MRHZIIUNXVPWTR-CRAIPNDOSA-N 0 3 362.905 2.340 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3cccc(F)c3)C2)nc1 ZINC000563003805 674833811 /nfs/dbraw/zinc/83/38/11/674833811.db2.gz YAMCRAXTHGKWOA-JCNLHEQBSA-N 0 3 359.426 2.402 20 30 FEEDHN CCC1(CC)[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@H](C)[C@H]1OC ZINC000564146232 674977856 /nfs/dbraw/zinc/97/78/56/674977856.db2.gz BRRIOMFUIHDPOW-IAOVAPTHSA-N 0 3 365.499 2.156 20 30 FEEDHN CCC1(CC)[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)[C@@H]1OC ZINC000564146265 674977929 /nfs/dbraw/zinc/97/79/29/674977929.db2.gz BRRIOMFUIHDPOW-XYPHTWIQSA-N 0 3 365.499 2.156 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000815860982 674978843 /nfs/dbraw/zinc/97/88/43/674978843.db2.gz KUZFTEANVOFFGL-UHFFFAOYSA-N 0 3 357.788 2.287 20 30 FEEDHN C#CCOc1ccccc1CNCCOc1ccc(S(C)(=O)=O)cc1 ZINC000106247591 670809725 /nfs/dbraw/zinc/80/97/25/670809725.db2.gz VJEFIWBFJFTAJF-UHFFFAOYSA-N 0 3 359.447 2.271 20 30 FEEDHN CCOC(=O)c1cccc(OC[C@@H](O)CNCc2ccc(C#N)s2)c1 ZINC000572751225 671040210 /nfs/dbraw/zinc/04/02/10/671040210.db2.gz ADAZCTVJFGPUMA-AWEZNQCLSA-N 0 3 360.435 2.326 20 30 FEEDHN N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000611232398 676026981 /nfs/dbraw/zinc/02/69/81/676026981.db2.gz VITJYMPWWULGNT-MRXNPFEDSA-N 0 3 351.447 2.087 20 30 FEEDHN C=CCn1c(C2CC2)nn(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c1=S ZINC000188962258 672603844 /nfs/dbraw/zinc/60/38/44/672603844.db2.gz BFINMNOZQHSSLG-AWEZNQCLSA-N 0 3 365.547 2.212 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000246465513 672837339 /nfs/dbraw/zinc/83/73/39/672837339.db2.gz ALGXHSYVDJEYOQ-MELADBBJSA-N 0 3 350.365 2.320 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000592963304 672859774 /nfs/dbraw/zinc/85/97/74/672859774.db2.gz LCFYRAQOQZJORV-OLZOCXBDSA-N 0 3 356.348 2.101 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000328860757 673068415 /nfs/dbraw/zinc/06/84/15/673068415.db2.gz ANFGXMMUKDWPKP-MRXNPFEDSA-N 0 3 367.515 2.365 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000594429580 673070665 /nfs/dbraw/zinc/07/06/65/673070665.db2.gz RPVPXDBZXLLGCJ-CQSZACIVSA-N 0 3 351.834 2.181 20 30 FEEDHN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594447679 673073431 /nfs/dbraw/zinc/07/34/31/673073431.db2.gz VFAAZGAVIAQZMH-HNNXBMFYSA-N 0 3 352.460 2.188 20 30 FEEDHN CCC1(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CCOCC1 ZINC000330240933 673088156 /nfs/dbraw/zinc/08/81/56/673088156.db2.gz FLHCSYPAFOHQEP-MRXNPFEDSA-N 0 3 353.507 2.292 20 30 FEEDHN CNC(=O)[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729471127 673235884 /nfs/dbraw/zinc/23/58/84/673235884.db2.gz UOWHGKPYBGFGNA-JSGCOSHPSA-N 0 3 356.451 2.073 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cccc(F)c1OC(F)F ZINC000595397353 673242325 /nfs/dbraw/zinc/24/23/25/673242325.db2.gz UPVOKHBAQIHPNN-UHFFFAOYSA-N 0 3 353.348 2.669 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)CC1 ZINC000729977184 673255507 /nfs/dbraw/zinc/25/55/07/673255507.db2.gz MRPWNHVVISXAMP-OAHLLOKOSA-N 0 3 371.547 2.399 20 30 FEEDHN Cc1c(CN)c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)nn1C ZINC000595958616 673343853 /nfs/dbraw/zinc/34/38/53/673343853.db2.gz GEFTYUKCPRZMIT-UHFFFAOYSA-N 0 3 358.471 2.110 20 30 FEEDHN C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000732200887 673357012 /nfs/dbraw/zinc/35/70/12/673357012.db2.gz PJXPGVMQPKVPBK-JHJVBQTASA-N 0 3 356.451 2.058 20 30 FEEDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000597653792 673496504 /nfs/dbraw/zinc/49/65/04/673496504.db2.gz MMUWSRXXUPARIF-INIZCTEOSA-N 0 3 355.463 2.362 20 30 FEEDHN C=CCCOCCCCC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000540490027 673542649 /nfs/dbraw/zinc/54/26/49/673542649.db2.gz ROFRUJOCYXHYCD-LJQANCHMSA-N 0 3 351.535 2.376 20 30 FEEDHN CN(C[C@H](O)CC(C)(C)C#N)C[C@H](c1cccs1)N1CCOCC1 ZINC000598588412 673587199 /nfs/dbraw/zinc/58/71/99/673587199.db2.gz LKXAPGGHIALHLB-HZPDHXFCSA-N 0 3 351.516 2.354 20 30 FEEDHN C#CCSCCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000740478693 673647451 /nfs/dbraw/zinc/64/74/51/673647451.db2.gz JEZFYPHKQOLMDZ-UHFFFAOYSA-N 0 3 367.559 2.466 20 30 FEEDHN N#CC(C(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccccc1Cl ZINC000741111293 673671139 /nfs/dbraw/zinc/67/11/39/673671139.db2.gz JRYTXMURVLHWLW-NSHDSACASA-N 0 3 361.745 2.182 20 30 FEEDHN N#CC1(C[C@@H](O)CN[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000600754820 673796624 /nfs/dbraw/zinc/79/66/24/673796624.db2.gz CHTAXMCQMDDUAH-OCCSQVGLSA-N 0 3 351.809 2.229 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000547984395 673911839 /nfs/dbraw/zinc/91/18/39/673911839.db2.gz VKMSYFLLCCMQRO-QGZVFWFLSA-N 0 3 360.889 2.452 20 30 FEEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000747203998 673912474 /nfs/dbraw/zinc/91/24/74/673912474.db2.gz GHXXPTRXUHMXMT-CZUORRHYSA-N 0 3 364.467 2.213 20 30 FEEDHN CC[C@H](CS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccc(C#N)cc1 ZINC000819187699 675268046 /nfs/dbraw/zinc/26/80/46/675268046.db2.gz QFCGSWDQWXEUEE-MJGOQNOKSA-N 0 3 358.463 2.434 20 30 FEEDHN C#C[C@H](NC(=O)N(CCOC)CCN(C)C)c1ccc(Cl)cc1F ZINC000820737455 675383742 /nfs/dbraw/zinc/38/37/42/675383742.db2.gz DCBFXKIYSURORX-INIZCTEOSA-N 0 3 355.841 2.373 20 30 FEEDHN C=CCSCC[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823937148 675577193 /nfs/dbraw/zinc/57/71/93/675577193.db2.gz KCYWEXWAYBGKMG-UHFFFAOYSA-N 0 3 358.515 2.340 20 30 FEEDHN CN1CCN(CCCCNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755965 676393492 /nfs/dbraw/zinc/39/34/92/676393492.db2.gz GIIGXXHCUHBJIA-UHFFFAOYSA-N 0 3 363.893 2.038 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619760229 676393690 /nfs/dbraw/zinc/39/36/90/676393690.db2.gz DAUONNZBYGBFHB-CQSZACIVSA-N 0 3 363.893 2.037 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000630942529 676926913 /nfs/dbraw/zinc/92/69/13/676926913.db2.gz KNUUGMULWGLHHB-UHFFFAOYSA-N 0 3 363.259 2.477 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2c(Br)cnn2C)CC1 ZINC000632986680 677024629 /nfs/dbraw/zinc/02/46/29/677024629.db2.gz GRGYEGUCUBYCQC-UHFFFAOYSA-N 0 3 370.295 2.022 20 30 FEEDHN COc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1C#N ZINC000830408916 677037831 /nfs/dbraw/zinc/03/78/31/677037831.db2.gz UPFGPPDTUQMCOZ-STQMWFEESA-N 0 3 358.316 2.489 20 30 FEEDHN C[C@]12CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000639950808 677169709 /nfs/dbraw/zinc/16/97/09/677169709.db2.gz DSDXKSFCMKXLCO-CALCHBBNSA-N 0 3 350.340 2.042 20 30 FEEDHN C#C[C@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CCCO1 ZINC000838560221 680701654 /nfs/dbraw/zinc/70/16/54/680701654.db2.gz UVSWBPDYUNOBFJ-BZSNNMDCSA-N 0 3 361.511 2.491 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000765784260 680855247 /nfs/dbraw/zinc/85/52/47/680855247.db2.gz SIYVNALCNAUGHT-ZDUSSCGKSA-N 0 3 361.433 2.302 20 30 FEEDHN CC(C)(CO)N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000676702245 679640208 /nfs/dbraw/zinc/64/02/08/679640208.db2.gz STRKVYDWLJHZJV-UHFFFAOYSA-N 0 3 356.388 2.325 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]/CC2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000748584885 679977547 /nfs/dbraw/zinc/97/75/47/679977547.db2.gz VQDPAGSTJYCKAQ-XMHGGMMESA-N 0 3 367.515 2.329 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1N(CCc1ccns1)CC2 ZINC000992242438 680098117 /nfs/dbraw/zinc/09/81/17/680098117.db2.gz RNKDLLUSTGWVLL-NTDBWNAOSA-N 0 3 361.511 2.390 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cc(OC)ns2)C1 ZINC001020716881 680113696 /nfs/dbraw/zinc/11/36/96/680113696.db2.gz XRNDGPOQLJUUHW-HPZZRFSDSA-N 0 3 365.499 2.260 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000992955970 680138569 /nfs/dbraw/zinc/13/85/69/680138569.db2.gz GDZGJJCHGQGLIB-CLCXKQKWSA-N 0 3 369.937 2.412 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CN(CCOC2CCC2)CC1(C)C ZINC000977326074 680160464 /nfs/dbraw/zinc/16/04/64/680160464.db2.gz KVLVQKJICLKZCA-BZSNNMDCSA-N 0 3 350.503 2.363 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3scnc3C)C[C@H]21 ZINC000978165360 680170107 /nfs/dbraw/zinc/17/01/07/680170107.db2.gz HMBDZJKCMCWIOK-MTSZKFMLSA-N 0 3 361.511 2.227 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NCc2ncc(Cl)n2C)CC1 ZINC000996601399 680336374 /nfs/dbraw/zinc/33/63/74/680336374.db2.gz QWICVJMCDZAABX-CABCVRRESA-N 0 3 366.893 2.135 20 30 FEEDHN CCCCCCCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000755076919 680397661 /nfs/dbraw/zinc/39/76/61/680397661.db2.gz CWRNBHKKCMMACT-QGZVFWFLSA-N 0 3 352.523 2.295 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2snnc2C)CC1 ZINC001034648235 680437135 /nfs/dbraw/zinc/43/71/35/680437135.db2.gz BFLXKEYMSGMBCN-FPCVCCKLSA-N 0 3 364.515 2.345 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2cnns2)CC1 ZINC001034648837 680437185 /nfs/dbraw/zinc/43/71/85/680437185.db2.gz PVRDGQXADBFPTJ-XOUADPBQSA-N 0 3 350.488 2.036 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCOc1cccc(Br)c1 ZINC000836229288 680438293 /nfs/dbraw/zinc/43/82/93/680438293.db2.gz AEJWGNGOENNBLI-UHFFFAOYSA-N 0 3 368.275 2.082 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1CCCC1CCOCC1 ZINC001038265618 680453868 /nfs/dbraw/zinc/45/38/68/680453868.db2.gz FVXOFPKVHYOYQY-QRVBRYPASA-N 0 3 350.503 2.365 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000836364907 680458111 /nfs/dbraw/zinc/45/81/11/680458111.db2.gz YCQHRLPUSILKCB-UHFFFAOYSA-N 0 3 359.257 2.022 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000986157422 680497236 /nfs/dbraw/zinc/49/72/36/680497236.db2.gz HGHDKGGZCAOHEC-PMPSAXMXSA-N 0 3 369.937 2.412 20 30 FEEDHN CCC[C@H]1C(=O)NCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000766256603 680872014 /nfs/dbraw/zinc/87/20/14/680872014.db2.gz KINYNOSWPIEYFB-OCCSQVGLSA-N 0 3 356.451 2.073 20 30 FEEDHN C[C@@H](C(=O)N(C)CC(=O)C(C#N)c1nc(C2CC2)cs1)n1cccn1 ZINC000842942761 680976436 /nfs/dbraw/zinc/97/64/36/680976436.db2.gz MECZPGFPYOFPKD-WCQYABFASA-N 0 3 357.439 2.113 20 30 FEEDHN Cc1nsc(N2CC[C@H](NC(=O)C(C)(C)N3CCCC3)[C@H]2C)c1C#N ZINC001050864181 681057073 /nfs/dbraw/zinc/05/70/73/681057073.db2.gz ORGBCJOBJMARBG-HIFRSBDPSA-N 0 3 361.515 2.281 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ccc(Cl)s2)C1 ZINC001051834574 681069649 /nfs/dbraw/zinc/06/96/49/681069649.db2.gz QVTIPUGDOLSMKC-CFVMTHIKSA-N 0 3 370.902 2.310 20 30 FEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC[C@@H]2C1 ZINC000946786401 681261413 /nfs/dbraw/zinc/26/14/13/681261413.db2.gz KGIYSANMGBPPAZ-YYIAUSFCSA-N 0 3 362.905 2.447 20 30 FEEDHN CC(C)(C)OC(=O)N1CC(OC2CCN(CCOCCC#N)CC2)C1 ZINC000932796926 681312479 /nfs/dbraw/zinc/31/24/79/681312479.db2.gz FTMWIZDYRWZCPS-UHFFFAOYSA-N 0 3 353.463 2.017 20 30 FEEDHN COc1ccc(NC(=S)NN=Cc2cnccc2N(C)C)cc1OC ZINC000776179136 681370407 /nfs/dbraw/zinc/37/04/07/681370407.db2.gz MRJZYCQPIWRGTA-UHFFFAOYSA-N 0 3 359.455 2.485 20 30 FEEDHN C#CCOc1cccc(Cl)c1CNC1CCN(C(=O)CCOC)CC1 ZINC000778173410 681582740 /nfs/dbraw/zinc/58/27/40/681582740.db2.gz JEYIZEHFRVROEC-UHFFFAOYSA-N 0 3 364.873 2.469 20 30 FEEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000778298640 681594251 /nfs/dbraw/zinc/59/42/51/681594251.db2.gz RCAKVWYJEIZYKB-UFBFGSQYSA-N 0 3 356.348 2.153 20 30 FEEDHN COc1ccc(C(=O)NCC(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000915100141 685512200 /nfs/dbraw/zinc/51/22/00/685512200.db2.gz JDRSYEAKVLZHDL-GFCCVEGCSA-N 0 3 359.407 2.075 20 30 FEEDHN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000915841923 685518825 /nfs/dbraw/zinc/51/88/25/685518825.db2.gz AODYAJJRBOKSCB-ZDUSSCGKSA-N 0 3 353.513 2.256 20 30 FEEDHN CC(=O)Nc1ccc(S[C@H](C)C(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000916875257 685528443 /nfs/dbraw/zinc/52/84/43/685528443.db2.gz LOEKABYRHRMSKJ-WBMJQRKESA-N 0 3 359.451 2.457 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCN2CC(F)(F)F)CC1 ZINC000917098572 685529676 /nfs/dbraw/zinc/52/96/76/685529676.db2.gz ZLWFUSFQJSWRQZ-HNNXBMFYSA-N 0 3 362.440 2.353 20 30 FEEDHN CN(C)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1ccc(F)cc1 ZINC000784573237 682238181 /nfs/dbraw/zinc/23/81/81/682238181.db2.gz XBQKDBKAVCJUQM-INIZCTEOSA-N 0 3 362.430 2.060 20 30 FEEDHN N#CC(C(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccn1 ZINC000917509430 685532615 /nfs/dbraw/zinc/53/26/15/685532615.db2.gz SZERBPODBYPFAQ-ZDUSSCGKSA-N 0 3 356.363 2.429 20 30 FEEDHN CN1C[C@]2(C)CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C[C@]2(C)C1 ZINC000918350314 685538555 /nfs/dbraw/zinc/53/85/55/685538555.db2.gz APPVUYHVPSSSEK-IYBDPMFKSA-N 0 3 353.875 2.174 20 30 FEEDHN CN1C[C@]2(C)CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C[C@@]2(C)C1 ZINC000918350312 685538601 /nfs/dbraw/zinc/53/86/01/685538601.db2.gz APPVUYHVPSSSEK-HZPDHXFCSA-N 0 3 353.875 2.174 20 30 FEEDHN COC[C@H](C#N)OC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000785225681 682281246 /nfs/dbraw/zinc/28/12/46/682281246.db2.gz QQWIANKTOBAZPC-QWRGUYRKSA-N 0 3 357.193 2.428 20 30 FEEDHN C=CCN1CCC(NC(=O)NC/C=C/CNC(=O)OC(C)(C)C)CC1 ZINC000788022763 682497326 /nfs/dbraw/zinc/49/73/26/682497326.db2.gz DAGVUAZHYLKAFS-VOTSOKGWSA-N 0 3 352.479 2.017 20 30 FEEDHN COC(=O)CCN1CCC(N=Nc2cncc(Br)c2)CC1 ZINC000788721374 682553740 /nfs/dbraw/zinc/55/37/40/682553740.db2.gz FJQHVRPSDAOERG-UHFFFAOYSA-N 0 3 355.236 2.271 20 30 FEEDHN C=CCNC(=O)CN1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000792330140 682804660 /nfs/dbraw/zinc/80/46/60/682804660.db2.gz AZMKMSOTMXSBEP-UHFFFAOYSA-N 0 3 351.491 2.402 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC2OCCCO2)cc1Cl ZINC000793124576 682865888 /nfs/dbraw/zinc/86/58/88/682865888.db2.gz LSAFYQRVJWYKTF-NSHDSACASA-N 0 3 352.774 2.149 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000793446106 682889774 /nfs/dbraw/zinc/88/97/74/682889774.db2.gz TZSXQDGHAQAKDE-HNNXBMFYSA-N 0 3 351.491 2.399 20 30 FEEDHN C#CC[C@H](COC)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000858409673 682966034 /nfs/dbraw/zinc/96/60/34/682966034.db2.gz DYCOYWOULADGBY-WLYUNCDWSA-N 0 3 361.408 2.129 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CC(C)(C)OC1=O ZINC000795717328 683083785 /nfs/dbraw/zinc/08/37/85/683083785.db2.gz KJQYDXTXFHRYQN-DGCLKSJQSA-N 0 3 357.435 2.498 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CC(C)(C)OC1=O ZINC000795717329 683084171 /nfs/dbraw/zinc/08/41/71/683084171.db2.gz KJQYDXTXFHRYQN-WCQYABFASA-N 0 3 357.435 2.498 20 30 FEEDHN C=CCN1CC[C@@H](N(CCC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799119392 683423325 /nfs/dbraw/zinc/42/33/25/683423325.db2.gz CVHWFSXXOSAHSW-JKSUJKDBSA-N 0 3 351.491 2.495 20 30 FEEDHN CC(C)(C)OC(=O)N1CCN(CCNCc2csc(C#N)c2)CC1 ZINC000921685403 683543119 /nfs/dbraw/zinc/54/31/19/683543119.db2.gz HHCQGJYMUFJFMI-UHFFFAOYSA-N 0 3 350.488 2.262 20 30 FEEDHN N#CCc1ccsc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000866215827 684083583 /nfs/dbraw/zinc/08/35/83/684083583.db2.gz LXJVXYRDQRGVFQ-IBGZPJMESA-N 0 3 355.463 2.181 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000869702653 684645396 /nfs/dbraw/zinc/64/53/96/684645396.db2.gz RZTJAVJHUSOQFI-QGZVFWFLSA-N 0 3 352.837 2.364 20 30 FEEDHN CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)c1ccccc1 ZINC000872252668 684932432 /nfs/dbraw/zinc/93/24/32/684932432.db2.gz VIHMNFVCQHYVRJ-RBUKOAKNSA-N 0 3 358.463 2.434 20 30 FEEDHN COCCN(C)CCNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000875216060 685756732 /nfs/dbraw/zinc/75/67/32/685756732.db2.gz OTQFQHSGTKAWAR-CQSZACIVSA-N 0 3 358.364 2.039 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000875623973 686051242 /nfs/dbraw/zinc/05/12/42/686051242.db2.gz YTMNCFREHKZIMC-MRXNPFEDSA-N 0 3 355.841 2.157 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2noc(CN(CC)CC)n2)CCCC1 ZINC000876737685 686257763 /nfs/dbraw/zinc/25/77/63/686257763.db2.gz UGIXKPGAXYUWRO-CYBMUJFWSA-N 0 3 369.897 2.267 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000876746164 686259226 /nfs/dbraw/zinc/25/92/26/686259226.db2.gz UUPFNVYJDJOMSJ-CYBMUJFWSA-N 0 3 361.833 2.308 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000876755773 686261365 /nfs/dbraw/zinc/26/13/65/686261365.db2.gz WPCOFCSUYCNAAQ-WMLDXEAASA-N 0 3 351.878 2.370 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000876757291 686261553 /nfs/dbraw/zinc/26/15/53/686261553.db2.gz BSJGRMDVEUBXLE-NEPJUHHUSA-N 0 3 359.804 2.453 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000876979728 686304340 /nfs/dbraw/zinc/30/43/40/686304340.db2.gz PTNVBIPJATYGME-WDEREUQCSA-N 0 3 357.863 2.106 20 30 FEEDHN CN1CCC2(CC1)CCN(CCS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000879247944 686779078 /nfs/dbraw/zinc/77/90/78/686779078.db2.gz KGZVVVQHBIZVQJ-UHFFFAOYSA-N 0 3 361.511 2.140 20 30 FEEDHN CCN1CCN(C[C@H](C)CNc2ncc(C#N)cc2Br)CC1 ZINC000881822047 687226243 /nfs/dbraw/zinc/22/62/43/687226243.db2.gz WYICBMHPTJDQLK-CYBMUJFWSA-N 0 3 366.307 2.401 20 30 FEEDHN C=CCC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000883215787 687588895 /nfs/dbraw/zinc/58/88/95/687588895.db2.gz GCHWEBUPAAYMTG-IAGOWNOFSA-N 0 3 368.455 2.472 20 30 FEEDHN N#Cc1ccc(CSCC(=O)NC[C@H]2CCN2C2CCOCC2)cc1 ZINC000885863699 688172469 /nfs/dbraw/zinc/17/24/69/688172469.db2.gz UKGFUZGHMMMHGI-GOSISDBHSA-N 0 3 359.495 2.161 20 30 FEEDHN C#CCN(C(=O)c1cn(-c2ccccc2Cl)nn1)C1CCN(C)CC1 ZINC000886582512 688279708 /nfs/dbraw/zinc/27/97/08/688279708.db2.gz XVTQKFOWTNTXOZ-UHFFFAOYSA-N 0 3 357.845 2.090 20 30 FEEDHN C#CCC1(NCC(=O)Nc2cc(C)c(C(=O)OCC)s2)CCOCC1 ZINC000887126881 688370281 /nfs/dbraw/zinc/37/02/81/688370281.db2.gz AWLBPAYZNQBRIC-UHFFFAOYSA-N 0 3 364.467 2.334 20 30 FEEDHN C=CCN(CC=C)[C@H](CNCc1nc(Br)nn1C)C(C)C ZINC000894172621 689480281 /nfs/dbraw/zinc/48/02/81/689480281.db2.gz IOEJSFXVBIPUQC-CYBMUJFWSA-N 0 3 356.312 2.366 20 30 FEEDHN N#Cc1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c1 ZINC001164898173 721523944 /nfs/dbraw/zinc/52/39/44/721523944.db2.gz IDBYGMBIOWKUBR-MJGOQNOKSA-N 0 3 363.396 2.306 20 30 FEEDHN Cc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164980683 722103627 /nfs/dbraw/zinc/10/36/27/722103627.db2.gz JYCGMPJYFUEBHE-AZUAARDMSA-N 0 3 363.465 2.384 20 30 FEEDHN N#CCc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978007 722131460 /nfs/dbraw/zinc/13/14/60/722131460.db2.gz JDCCMRNTNVGVQO-VQTJNVASSA-N 0 3 363.465 2.270 20 30 FEEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000498759724 885703629 /nfs/dbraw/zinc/70/36/29/885703629.db2.gz LNCPNSVCUGNYKI-ZDUSSCGKSA-N 0 3 356.405 2.441 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CNc1ccc(C#N)cn1 ZINC000497736587 887694198 /nfs/dbraw/zinc/69/41/98/887694198.db2.gz CPQQZKCRQJUGJW-KRWDZBQOSA-N 0 3 363.465 2.488 20 30 FEEDHN C=C(Br)CNC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000818979526 675249303 /nfs/dbraw/zinc/24/93/03/675249303.db2.gz PGPCEDLHGHQVNS-ZDUSSCGKSA-N 0 3 363.296 2.493 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1c(C)ccc(Br)c1OC ZINC000819545078 675297693 /nfs/dbraw/zinc/29/76/93/675297693.db2.gz WWQCCHFRBXOTMU-UHFFFAOYSA-N 0 3 353.260 2.451 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000026341640 539783889 /nfs/dbraw/zinc/78/38/89/539783889.db2.gz UTZVOIQOJUDPRU-UHFFFAOYSA-N 0 3 354.454 2.221 20 30 FEEDHN COC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532476 539884039 /nfs/dbraw/zinc/88/40/39/539884039.db2.gz ILWCHXDVNZECDF-KDOFPFPSSA-N 0 3 354.406 2.435 20 30 FEEDHN N#Cc1ccc(NCCN2CC=CCC2)nc1NCCN1CC=CCC1 ZINC000530378215 539956859 /nfs/dbraw/zinc/95/68/59/539956859.db2.gz BMAJVZPIVIVOEJ-UHFFFAOYSA-N 0 3 352.486 2.301 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000043085083 540087851 /nfs/dbraw/zinc/08/78/51/540087851.db2.gz XFSYSHBQJRWZHY-UONOGXRCSA-N 0 3 358.486 2.175 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000043085083 540087854 /nfs/dbraw/zinc/08/78/54/540087854.db2.gz XFSYSHBQJRWZHY-UONOGXRCSA-N 0 3 358.486 2.175 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nc2nc(C)cc(C)n2n1)C(C)C ZINC000047852013 540330756 /nfs/dbraw/zinc/33/07/56/540330756.db2.gz GTEMUFKIWQYYNI-INIZCTEOSA-N 0 3 356.474 2.170 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccn(C)c(=O)c1 ZINC000053616042 540545954 /nfs/dbraw/zinc/54/59/54/540545954.db2.gz NDLUKSFEGURICR-UHFFFAOYSA-N 0 3 373.526 2.484 20 30 FEEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCN2CCCCC2)n1 ZINC000540980799 541130221 /nfs/dbraw/zinc/13/02/21/541130221.db2.gz JKTKCEAHOQTLFA-UHFFFAOYSA-N 0 3 356.405 2.490 20 30 FEEDHN CN1CCC[C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540985951 541131547 /nfs/dbraw/zinc/13/15/47/541131547.db2.gz WPMRYOGABFKYSV-CYBMUJFWSA-N 0 3 356.405 2.346 20 30 FEEDHN CCCCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(N)=O ZINC000063500195 541171532 /nfs/dbraw/zinc/17/15/32/541171532.db2.gz CUWKQJQLVGPNAW-UHFFFAOYSA-N 0 3 362.499 2.415 20 30 FEEDHN COc1cccc(/C=N/Cc2cccc(C(=O)NCCN(C)C)c2)c1O ZINC000066255533 541295168 /nfs/dbraw/zinc/29/51/68/541295168.db2.gz HOANISHMQYTXQO-KGENOOAVSA-N 0 3 355.438 2.311 20 30 FEEDHN CN1CCC[C@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066638915 541352327 /nfs/dbraw/zinc/35/23/27/541352327.db2.gz VLURTIVPPCQVMN-QGZVFWFLSA-N 0 3 356.470 2.171 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NC(=O)NCCN3CCCCC3)C2)c(F)c1 ZINC000069377799 541681781 /nfs/dbraw/zinc/68/17/81/541681781.db2.gz KSNIVRPZAQNLCU-KRWDZBQOSA-N 0 3 373.476 2.451 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)c1 ZINC000069553918 541696558 /nfs/dbraw/zinc/69/65/58/541696558.db2.gz ABJUSRPASQDTEE-QGZVFWFLSA-N 0 3 354.454 2.410 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)cc1 ZINC000069553667 541696746 /nfs/dbraw/zinc/69/67/46/541696746.db2.gz HEUKEFHEVKIULT-QGZVFWFLSA-N 0 3 354.454 2.410 20 30 FEEDHN COC(=O)[C@H]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705385 541989228 /nfs/dbraw/zinc/98/92/28/541989228.db2.gz FRRICYRZNFVATE-MOPGFXCFSA-N 0 3 371.481 2.428 20 30 FEEDHN C[C@H](NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)c1cccc(C#N)c1 ZINC000074917966 542136519 /nfs/dbraw/zinc/13/65/19/542136519.db2.gz GARCSCLKRQCRTP-LPHOPBHVSA-N 0 3 355.486 2.041 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(CC2CCOCC2)CC1 ZINC000077176302 542350445 /nfs/dbraw/zinc/35/04/45/542350445.db2.gz ZNMCWZYAYIDOHA-OAQYLSRUSA-N 0 3 374.525 2.199 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000077202540 542354179 /nfs/dbraw/zinc/35/41/79/542354179.db2.gz XZCFKEVKSCCYJZ-INIZCTEOSA-N 0 3 373.501 2.350 20 30 FEEDHN CN(CCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000077538396 542394228 /nfs/dbraw/zinc/39/42/28/542394228.db2.gz CXKQEXWVWFZBTB-UHFFFAOYSA-N 0 3 368.412 2.274 20 30 FEEDHN C=C(Cl)CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000077779113 542419320 /nfs/dbraw/zinc/41/93/20/542419320.db2.gz ZCGQLPMOPBZFDW-UHFFFAOYSA-N 0 3 367.902 2.085 20 30 FEEDHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)C#Cc3ccccc3)cc2)C1 ZINC000080612436 542598031 /nfs/dbraw/zinc/59/80/31/542598031.db2.gz CYTXXUCLENMEAZ-LJQANCHMSA-N 0 3 361.445 2.374 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092423696 542863476 /nfs/dbraw/zinc/86/34/76/542863476.db2.gz LVYGDRZPUIXWRC-LXPRWKDFSA-N 0 3 371.485 2.379 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000092807681 542887762 /nfs/dbraw/zinc/88/77/62/542887762.db2.gz GGHPHHZLHYGKKW-INIZCTEOSA-N 0 3 352.442 2.371 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000097258587 543009102 /nfs/dbraw/zinc/00/91/02/543009102.db2.gz DPRHNKYEJYBFLD-HNNXBMFYSA-N 0 3 372.469 2.275 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)CC1 ZINC000106036143 543186284 /nfs/dbraw/zinc/18/62/84/543186284.db2.gz RUTLTFQCJFCKAI-UHFFFAOYSA-N 0 3 356.474 2.197 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000106039344 543186738 /nfs/dbraw/zinc/18/67/38/543186738.db2.gz KPPWJACBNYLPEV-GOSISDBHSA-N 0 3 355.482 2.192 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000106349203 543224868 /nfs/dbraw/zinc/22/48/68/543224868.db2.gz GXJQYAXUJLRVLO-UHFFFAOYSA-N 0 3 360.845 2.307 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(CN3CCOCC3)c2)CC1 ZINC000110734321 543366981 /nfs/dbraw/zinc/36/69/81/543366981.db2.gz NSJDLXCTQQWNCW-UHFFFAOYSA-N 0 3 357.498 2.289 20 30 FEEDHN COCCN(C)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115358067 543562260 /nfs/dbraw/zinc/56/22/60/543562260.db2.gz YQKUMJYLIZWRFU-UHFFFAOYSA-N 0 3 367.449 2.445 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000116547377 543610270 /nfs/dbraw/zinc/61/02/70/543610270.db2.gz XTYJRHUCNXJNTI-FUHWJXTLSA-N 0 3 364.534 2.410 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000118101894 543645188 /nfs/dbraw/zinc/64/51/88/543645188.db2.gz XWOVQZGXXXFAAB-BBRMVZONSA-N 0 3 374.510 2.333 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000119128462 543664400 /nfs/dbraw/zinc/66/44/00/543664400.db2.gz NQAPMKMYRZQGKJ-MRXNPFEDSA-N 0 3 361.465 2.139 20 30 FEEDHN C[C@@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H]1n1ccnc1 ZINC000119435200 543667581 /nfs/dbraw/zinc/66/75/81/543667581.db2.gz JOJRLTAFSKUUJK-KPFFTGBYSA-N 0 3 354.454 2.272 20 30 FEEDHN N#CC1(C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000119658584 543670622 /nfs/dbraw/zinc/67/06/22/543670622.db2.gz QACBNGSKLKBTPZ-SFHVURJKSA-N 0 3 367.497 2.136 20 30 FEEDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCN1C ZINC000120551462 543681850 /nfs/dbraw/zinc/68/18/50/543681850.db2.gz KKSPADLPURQOSF-RDJZCZTQSA-N 0 3 372.469 2.249 20 30 FEEDHN CN(C)CCOc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000125355169 543877108 /nfs/dbraw/zinc/87/71/08/543877108.db2.gz TXMYGBJKLGXKKA-UHFFFAOYSA-N 0 3 352.394 2.076 20 30 FEEDHN C=C[C@H](CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000125575721 543889899 /nfs/dbraw/zinc/88/98/99/543889899.db2.gz VFOQHZMTTYJBDS-MJGOQNOKSA-N 0 3 357.498 2.405 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000127930950 544022720 /nfs/dbraw/zinc/02/27/20/544022720.db2.gz RGXRRJCCMHKELZ-ZWKOTPCHSA-N 0 3 358.467 2.302 20 30 FEEDHN CC(C)CCn1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1 ZINC000129203497 544096851 /nfs/dbraw/zinc/09/68/51/544096851.db2.gz YWAOTZNDRMIZSU-UHFFFAOYSA-N 0 3 368.485 2.400 20 30 FEEDHN C=CCn1c(SCCCN2CCN(C)CC2)nnc1-c1cccnc1 ZINC000130214571 544143216 /nfs/dbraw/zinc/14/32/16/544143216.db2.gz IFFWBGXKEFDAFE-UHFFFAOYSA-N 0 3 358.515 2.256 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000130672937 544160422 /nfs/dbraw/zinc/16/04/22/544160422.db2.gz SRRUXGAPDFVRFG-RYQLBKOJSA-N 0 3 356.470 2.264 20 30 FEEDHN C=CC[C@H](C)[C@@H](C)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152141450 544618381 /nfs/dbraw/zinc/61/83/81/544618381.db2.gz LANTURYNWFUUKQ-UONOGXRCSA-N 0 3 358.529 2.459 20 30 FEEDHN CCCCN(C)CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000553493375 674265878 /nfs/dbraw/zinc/26/58/78/674265878.db2.gz CXHOVOARUBODIJ-UHFFFAOYSA-N 0 3 374.304 2.331 20 30 FEEDHN CC(C)N1CCN(CCCN2CCN(c3ccccc3C#N)CC2)CC1 ZINC000191469664 328267172 /nfs/dbraw/zinc/26/71/72/328267172.db2.gz MKUNSOLYXKUJLM-UHFFFAOYSA-N 0 3 355.530 2.096 20 30 FEEDHN N#Cc1ccc(N2CCN(C(=O)C3CCN(C4CC4)CC3)CC2)c(F)c1 ZINC000195424832 328476314 /nfs/dbraw/zinc/47/63/14/328476314.db2.gz FYLFVNIJUFLZSW-UHFFFAOYSA-N 0 3 356.445 2.220 20 30 FEEDHN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000107639027 325632149 /nfs/dbraw/zinc/63/21/49/325632149.db2.gz RMNLCCMUFMRLDL-QGZVFWFLSA-N 0 3 357.454 2.423 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)ccc1F ZINC000107707540 325633857 /nfs/dbraw/zinc/63/38/57/325633857.db2.gz OTEGCIVSWXMUKD-HNNXBMFYSA-N 0 3 351.447 2.336 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2ccnn2)c1 ZINC000120316782 326249129 /nfs/dbraw/zinc/24/91/29/326249129.db2.gz HIGVOZUOBOJADF-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN CCCN1CCC(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000120858632 326294003 /nfs/dbraw/zinc/29/40/03/326294003.db2.gz ARNWYNRXEDBOAB-UHFFFAOYSA-N 0 3 353.463 2.239 20 30 FEEDHN CCC[C@H]1CN(CCOc2ccc(C#N)cc2OC)CCN1CCOC ZINC000121958828 326378391 /nfs/dbraw/zinc/37/83/91/326378391.db2.gz QLQQIBGPIHHFKR-SFHVURJKSA-N 0 3 361.486 2.378 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)Nc2ccc(F)cc2C#N)ccn1 ZINC000129938110 326548720 /nfs/dbraw/zinc/54/87/20/326548720.db2.gz PSQREUUJRAWCNJ-UHFFFAOYSA-N 0 3 357.389 2.354 20 30 FEEDHN Cc1ccc(CN(C)C)cc1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000155193408 326780760 /nfs/dbraw/zinc/78/07/60/326780760.db2.gz ZBEYWYLXKZSCQZ-UHFFFAOYSA-N 0 3 350.422 2.297 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSCCN(C)C ZINC000157844332 326877212 /nfs/dbraw/zinc/87/72/12/326877212.db2.gz ADBZIZZRMFUPOX-UHFFFAOYSA-N 0 3 352.504 2.246 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1OCCN(C)C ZINC000172674207 327214135 /nfs/dbraw/zinc/21/41/35/327214135.db2.gz WSQZUYKPMJERDP-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174540784 327333387 /nfs/dbraw/zinc/33/33/87/327333387.db2.gz ZQUYGXUJIURWHF-KRWDZBQOSA-N 0 3 370.497 2.130 20 30 FEEDHN N#Cc1c(NC(=O)CCN2CCC[C@H](CC(N)=O)C2)sc2c1CCCC2 ZINC000175254294 327382662 /nfs/dbraw/zinc/38/26/62/327382662.db2.gz MRAJXTNUORZECN-CYBMUJFWSA-N 0 3 374.510 2.415 20 30 FEEDHN CCn1cnc2c1ncnc2N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000264659384 329045267 /nfs/dbraw/zinc/04/52/67/329045267.db2.gz QOMJYIVYTZQTTD-UHFFFAOYSA-N 0 3 361.453 2.430 20 30 FEEDHN CCCNC(=O)CCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000264754614 329056861 /nfs/dbraw/zinc/05/68/61/329056861.db2.gz KCYMZWDFWUNBFL-UHFFFAOYSA-N 0 3 358.486 2.145 20 30 FEEDHN CN1CCC(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000266873708 329268246 /nfs/dbraw/zinc/26/82/46/329268246.db2.gz YRPBIADKAZKLIC-UHFFFAOYSA-N 0 3 354.454 2.077 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccncc1 ZINC000268648661 329442561 /nfs/dbraw/zinc/44/25/61/329442561.db2.gz PSCAKDLGHQDMRP-UHFFFAOYSA-N 0 3 351.454 2.269 20 30 FEEDHN CN(C)CCc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000275508557 330057086 /nfs/dbraw/zinc/05/70/86/330057086.db2.gz UJIOVZAKHMDISE-UHFFFAOYSA-N 0 3 364.449 2.259 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367184297 330227349 /nfs/dbraw/zinc/22/73/49/330227349.db2.gz JLYGPHPQDDSXIB-QFBILLFUSA-N 0 3 355.486 2.356 20 30 FEEDHN COc1cc(C#N)ccc1CN(C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000367254113 330236733 /nfs/dbraw/zinc/23/67/33/330236733.db2.gz GERBZODXVHMOCD-UHFFFAOYSA-N 0 3 370.497 2.085 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000367265176 330238013 /nfs/dbraw/zinc/23/80/13/330238013.db2.gz SYKRWFNQEGCZQN-IUODEOHRSA-N 0 3 360.845 2.235 20 30 FEEDHN C=CCC[C@@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1 ZINC000155391084 545520314 /nfs/dbraw/zinc/52/03/14/545520314.db2.gz ZOASFQAYCGSJMM-QGZVFWFLSA-N 0 3 369.469 2.207 20 30 FEEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000155632420 545551891 /nfs/dbraw/zinc/55/18/91/545551891.db2.gz DLZGLFQISRBOEH-UHFFFAOYSA-N 0 3 350.850 2.196 20 30 FEEDHN C=CCCCCCN(C)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000477582617 561148435 /nfs/dbraw/zinc/14/84/35/561148435.db2.gz UGYFGZVRRMEGHA-UHFFFAOYSA-N 0 3 356.536 2.428 20 30 FEEDHN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000157382881 545733921 /nfs/dbraw/zinc/73/39/21/545733921.db2.gz RABVCXBXKIDGEU-NSHDSACASA-N 0 3 361.389 2.197 20 30 FEEDHN C=C(C)CN(CC)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000159005043 545913826 /nfs/dbraw/zinc/91/38/26/545913826.db2.gz WJZICQDBVJSZSS-UHFFFAOYSA-N 0 3 362.470 2.331 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ncccc2Cl)CC1 ZINC000159339145 545944631 /nfs/dbraw/zinc/94/46/31/545944631.db2.gz PEPBAVLDRJOPCB-UHFFFAOYSA-N 0 3 352.866 2.454 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N1CCC(C)CC1 ZINC000161448822 546130952 /nfs/dbraw/zinc/13/09/52/546130952.db2.gz KTCSOQNLSYVCIA-AWEZNQCLSA-N 0 3 353.463 2.237 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000163493991 546145661 /nfs/dbraw/zinc/14/56/61/546145661.db2.gz JFRITXXWOXUQRN-RDJZCZTQSA-N 0 3 352.442 2.439 20 30 FEEDHN C=CCOc1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000165169728 546152320 /nfs/dbraw/zinc/15/23/20/546152320.db2.gz RIFYTJGGVDMZMB-GOSISDBHSA-N 0 3 372.469 2.022 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CSCN2C(=O)/C(C)=C/CC)CC1 ZINC000171715374 546220329 /nfs/dbraw/zinc/22/03/29/546220329.db2.gz PHZQDQNRBSPSSO-CQMBDMNQSA-N 0 3 351.516 2.011 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccc(CS(C)(=O)=O)c2C)CC1 ZINC000172109220 546236601 /nfs/dbraw/zinc/23/66/01/546236601.db2.gz OOZPSBWNRQMVEY-UHFFFAOYSA-N 0 3 365.499 2.312 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2OC(F)(F)F)CC1 ZINC000173275186 546277084 /nfs/dbraw/zinc/27/70/84/546277084.db2.gz WKOYZQIDCAINCJ-UHFFFAOYSA-N 0 3 371.359 2.290 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)CC1 ZINC000173896283 546288154 /nfs/dbraw/zinc/28/81/54/546288154.db2.gz AVXAFGKUIZHFRR-UHFFFAOYSA-N 0 3 369.469 2.159 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1nc(C)cs1)C(C)C ZINC000175846754 546362103 /nfs/dbraw/zinc/36/21/03/546362103.db2.gz JCPUMLKSZOTJLW-CQSZACIVSA-N 0 3 350.488 2.205 20 30 FEEDHN N#Cc1csc(CNCCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000177693221 546669367 /nfs/dbraw/zinc/66/93/67/546669367.db2.gz BFTTTWXLQFTQCK-UHFFFAOYSA-N 0 3 354.479 2.448 20 30 FEEDHN C=CCN1CCC(NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)CC1 ZINC000178537751 546809913 /nfs/dbraw/zinc/80/99/13/546809913.db2.gz VROUGGYHYUGGAQ-UHFFFAOYSA-N 0 3 365.503 2.147 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCc2nnc(-c3ccccc3)o2)CC1 ZINC000178744774 546841505 /nfs/dbraw/zinc/84/15/05/546841505.db2.gz PSMODXGIKFBGOJ-UHFFFAOYSA-N 0 3 355.442 2.229 20 30 FEEDHN CCC(CC)CN(CCC#N)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481745341 561240740 /nfs/dbraw/zinc/24/07/40/561240740.db2.gz CUERCGNTGIQDLN-CQSZACIVSA-N 0 3 358.504 2.147 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H]2COC3(CCCCCC3)O2)CC1 ZINC000180690450 547158872 /nfs/dbraw/zinc/15/88/72/547158872.db2.gz JFPHTAJTLYOBAR-KRWDZBQOSA-N 0 3 351.491 2.402 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000180898116 547205173 /nfs/dbraw/zinc/20/51/73/547205173.db2.gz DZQMANXQKBQJAB-CQSZACIVSA-N 0 3 368.412 2.273 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCSC2)cc1 ZINC000483460945 561277452 /nfs/dbraw/zinc/27/74/52/561277452.db2.gz RIGVVUPMLGRJMM-VXGBXAGGSA-N 0 3 353.469 2.247 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCS2)cc1 ZINC000483550369 561279481 /nfs/dbraw/zinc/27/94/81/561279481.db2.gz OZWASCACYDHOGO-DGCLKSJQSA-N 0 3 353.469 2.389 20 30 FEEDHN NC(=O)C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000181930229 547407068 /nfs/dbraw/zinc/40/70/68/547407068.db2.gz OMWQGEYMBIBDQR-MRXNPFEDSA-N 0 3 354.372 2.317 20 30 FEEDHN C=CCSCCNC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000182618032 547522832 /nfs/dbraw/zinc/52/28/32/547522832.db2.gz NNDCZVAGZCGCQG-GOSISDBHSA-N 0 3 363.527 2.362 20 30 FEEDHN C=CC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000182776478 547551111 /nfs/dbraw/zinc/55/11/11/547551111.db2.gz SRVCENKGCQTUGU-HXUWFJFHSA-N 0 3 370.472 2.433 20 30 FEEDHN CCO[C@@H]1COCC[C@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000484615171 561301071 /nfs/dbraw/zinc/30/10/71/561301071.db2.gz LIGCFRSNKDWADL-IAGOWNOFSA-N 0 3 365.861 2.370 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000184169624 547779768 /nfs/dbraw/zinc/77/97/68/547779768.db2.gz ZKBBSKFRIIQRAT-UHFFFAOYSA-N 0 3 360.527 2.183 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184328802 547807994 /nfs/dbraw/zinc/80/79/94/547807994.db2.gz NABUWOTYGRSEFG-FXAWDEMLSA-N 0 3 372.513 2.104 20 30 FEEDHN CN(C)CCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CCCC1 ZINC000184620749 547855378 /nfs/dbraw/zinc/85/53/78/547855378.db2.gz WPHYQONZYSXMDC-UHFFFAOYSA-N 0 3 367.457 2.477 20 30 FEEDHN C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCC[C@H](C)C1 ZINC000184621578 547855545 /nfs/dbraw/zinc/85/55/45/547855545.db2.gz LPXCNJZAQVVRME-GJZGRUSLSA-N 0 3 367.457 2.381 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185519748 547997099 /nfs/dbraw/zinc/99/70/99/547997099.db2.gz BDSRQVSAVCHPJH-LJQANCHMSA-N 0 3 352.434 2.282 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000185826414 548040787 /nfs/dbraw/zinc/04/07/87/548040787.db2.gz JNFQSUVCGBEYRS-UHFFFAOYSA-N 0 3 363.483 2.252 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCSC[C@H]2c2cnn(C)c2)CC1 ZINC000188681276 548285904 /nfs/dbraw/zinc/28/59/04/548285904.db2.gz XYTFEMSEOOZYDK-KRWDZBQOSA-N 0 3 363.531 2.260 20 30 FEEDHN N#Cc1ccc(CN2C(=O)[C@H]3CN(Cc4ccccc4)C[C@H]3C2=O)cc1F ZINC000190126801 548317766 /nfs/dbraw/zinc/31/77/66/548317766.db2.gz HKBCVGHDWVTMCS-HDICACEKSA-N 0 3 363.392 2.314 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(C)CC3(N(C)C)CCC3)CC2)o1 ZINC000194086689 548433999 /nfs/dbraw/zinc/43/39/99/548433999.db2.gz ZKPPUDSLSFVYLZ-UHFFFAOYSA-N 0 3 359.474 2.014 20 30 FEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000487812771 561376404 /nfs/dbraw/zinc/37/64/04/561376404.db2.gz BWJXIFVKNRZHRI-MRXNPFEDSA-N 0 3 357.498 2.063 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCN(C)[C@H](C(C)C)C2)c(OC)c1 ZINC000487995897 561380919 /nfs/dbraw/zinc/38/09/19/561380919.db2.gz BFIVFGZIPXPCLE-OALUTQOASA-N 0 3 362.514 2.435 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245587483 548952073 /nfs/dbraw/zinc/95/20/73/548952073.db2.gz FEECUTYPPJRFDG-YQVWRLOYSA-N 0 3 362.495 2.284 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(C#N)c2C)CC1=O ZINC000245668562 548970602 /nfs/dbraw/zinc/97/06/02/548970602.db2.gz BSRIZBVBJMJJPE-DLBZAZTESA-N 0 3 354.454 2.138 20 30 FEEDHN C[C@@H](C1CC1)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245843337 549003150 /nfs/dbraw/zinc/00/31/50/549003150.db2.gz DEEPZBNWZHCSCZ-HNAYVOBHSA-N 0 3 358.461 2.265 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CCc3ccccc3C2)CC1 ZINC000246113892 549055301 /nfs/dbraw/zinc/05/53/01/549055301.db2.gz PWXRWXVMWKKQGQ-LEWJYISDSA-N 0 3 368.525 2.168 20 30 FEEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000247368040 549324514 /nfs/dbraw/zinc/32/45/14/549324514.db2.gz OYUGQTIYALVJKN-MAUKXSAKSA-N 0 3 373.476 2.258 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000250230369 549640803 /nfs/dbraw/zinc/64/08/03/549640803.db2.gz IZFADYPCIWRGJU-HZPDHXFCSA-N 0 3 359.470 2.427 20 30 FEEDHN C[C@H](C(=O)N1CCCCC1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000253378264 549684740 /nfs/dbraw/zinc/68/47/40/549684740.db2.gz ZUMJDVBNIYCNSM-GOSISDBHSA-N 0 3 354.498 2.467 20 30 FEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261879685 549765142 /nfs/dbraw/zinc/76/51/42/549765142.db2.gz ULJAOUAKSDEBBH-GOSISDBHSA-N 0 3 357.454 2.193 20 30 FEEDHN Cc1nc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000263725072 549926548 /nfs/dbraw/zinc/92/65/48/549926548.db2.gz FGISTZFYSHJDNU-GASCZTMLSA-N 0 3 356.470 2.223 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 ZINC000264491245 549996447 /nfs/dbraw/zinc/99/64/47/549996447.db2.gz WLYXKZYFWGVBAW-KRWDZBQOSA-N 0 3 355.482 2.364 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3cccc(F)c3F)CC2)CC1 ZINC000265289416 550007925 /nfs/dbraw/zinc/00/79/25/550007925.db2.gz YCWLZMXBJBRTLS-UHFFFAOYSA-N 0 3 364.440 2.447 20 30 FEEDHN CN(C)Cc1ccc(C(N)=NOCC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000267018012 550026337 /nfs/dbraw/zinc/02/63/37/550026337.db2.gz PQXFNYSSAMBZBI-UHFFFAOYSA-N 0 3 372.444 2.183 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)CC1 ZINC000268067226 550037314 /nfs/dbraw/zinc/03/73/14/550037314.db2.gz VLTYBCXOQWJVMS-OAHLLOKOSA-N 0 3 359.474 2.486 20 30 FEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268539984 550084638 /nfs/dbraw/zinc/08/46/38/550084638.db2.gz KKBWZIQBDPJDIC-OAQYLSRUSA-N 0 3 362.477 2.381 20 30 FEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269072345 550151219 /nfs/dbraw/zinc/15/12/19/550151219.db2.gz FSGNQOFSWRUELI-ZDUSSCGKSA-N 0 3 350.850 2.243 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000270965457 550326532 /nfs/dbraw/zinc/32/65/32/550326532.db2.gz VNPXCPZXHMGIDZ-UHFFFAOYSA-N 0 3 354.498 2.497 20 30 FEEDHN CS(=O)(=O)c1ccc([C@@H](O)CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000271802407 550402924 /nfs/dbraw/zinc/40/29/24/550402924.db2.gz PGCGLMWNXYACAW-SFHVURJKSA-N 0 3 356.447 2.274 20 30 FEEDHN COc1cc(/C=C/C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1OCC#N ZINC000272578297 550458920 /nfs/dbraw/zinc/45/89/20/550458920.db2.gz WAHMMYQRICCEHN-XQTSXYSPSA-N 0 3 355.438 2.163 20 30 FEEDHN C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C1=CCN(C)CC1 ZINC000272757938 550469322 /nfs/dbraw/zinc/46/93/22/550469322.db2.gz FQAZPRMHFYHXFV-OAHLLOKOSA-N 0 3 354.454 2.434 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000273241880 550491159 /nfs/dbraw/zinc/49/11/59/550491159.db2.gz WVWOHXFBYCNBCQ-WBVHZDCISA-N 0 3 358.442 2.141 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000275876255 550575218 /nfs/dbraw/zinc/57/52/18/550575218.db2.gz QKVHFLWTXKKTAJ-AWEZNQCLSA-N 0 3 374.510 2.477 20 30 FEEDHN C(#CCN1CCC(c2ncc[nH]2)CC1)CN1CCC(c2ncc[nH]2)CC1 ZINC000276296477 550577830 /nfs/dbraw/zinc/57/78/30/550577830.db2.gz JAFKPSSLOBUWQR-UHFFFAOYSA-N 0 3 352.486 2.195 20 30 FEEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)N(C)CC(F)(F)F ZINC000277279015 550651141 /nfs/dbraw/zinc/65/11/41/550651141.db2.gz CCGQZQGCIMAHCP-AWEZNQCLSA-N 0 3 370.419 2.331 20 30 FEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278658738 550808857 /nfs/dbraw/zinc/80/88/57/550808857.db2.gz NAOGVPADJMANMG-CVEARBPZSA-N 0 3 356.470 2.070 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccc3c(c2)OCO3)cc1 ZINC000279220552 550866450 /nfs/dbraw/zinc/86/64/50/550866450.db2.gz CVFFGSSIWQGBPU-INIZCTEOSA-N 0 3 363.373 2.164 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000279455382 550892308 /nfs/dbraw/zinc/89/23/08/550892308.db2.gz ZSMFKZNDKYYFTJ-JKSUJKDBSA-N 0 3 364.371 2.241 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccc(C)n(C)c1=O)C(C)C ZINC000279594212 550906554 /nfs/dbraw/zinc/90/65/54/550906554.db2.gz VPOCEQDSYTTWLE-SFHVURJKSA-N 0 3 360.502 2.192 20 30 FEEDHN CN(CCOc1cccc(C#N)c1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279778559 550927845 /nfs/dbraw/zinc/92/78/45/550927845.db2.gz UAYIJTQFKPGTAO-HKUYNNGSSA-N 0 3 371.460 2.215 20 30 FEEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000279894106 550940651 /nfs/dbraw/zinc/94/06/51/550940651.db2.gz DCTDOMUQCLCQEP-XJKSGUPXSA-N 0 3 364.371 2.336 20 30 FEEDHN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280265269 550975348 /nfs/dbraw/zinc/97/53/48/550975348.db2.gz CRHIMPYMZIPRTF-DLBZAZTESA-N 0 3 368.437 2.366 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1c2ccccc2n(C)c1=O)C(C)C ZINC000496029962 561491836 /nfs/dbraw/zinc/49/18/36/561491836.db2.gz SGMNMJLJNSLJDZ-LJQANCHMSA-N 0 3 370.497 2.155 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000281133829 551066953 /nfs/dbraw/zinc/06/69/53/551066953.db2.gz GXWPHPGGEIABRQ-BZUAXINKSA-N 0 3 365.355 2.402 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000281162843 551069485 /nfs/dbraw/zinc/06/94/85/551069485.db2.gz ZVFNKKJGEJZBOC-RLLQIKCJSA-N 0 3 373.497 2.034 20 30 FEEDHN COc1ccc(CN[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1C#N ZINC000282951333 551288877 /nfs/dbraw/zinc/28/88/77/551288877.db2.gz JRRWTDQMWBCYJQ-SFHVURJKSA-N 0 3 365.433 2.336 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC(=O)N(C)C2CCCCC2)CC1 ZINC000497625332 561505030 /nfs/dbraw/zinc/50/50/30/561505030.db2.gz ZGNFIGHDGAXZAC-UHFFFAOYSA-N 0 3 350.507 2.117 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccccc2OC(C)C)CC1 ZINC000283436183 551365897 /nfs/dbraw/zinc/36/58/97/551365897.db2.gz BWJUANTXEOEWEB-UHFFFAOYSA-N 0 3 373.497 2.247 20 30 FEEDHN CN1CC[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000283650449 551403345 /nfs/dbraw/zinc/40/33/45/551403345.db2.gz BDRSFFSLBMTWDL-WDSOQIARSA-N 0 3 362.424 2.108 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H](CC)c1ccncc1)C(C)C ZINC000284179652 551499133 /nfs/dbraw/zinc/49/91/33/551499133.db2.gz UWRGCDZORKJKFW-RTBURBONSA-N 0 3 372.513 2.464 20 30 FEEDHN C[C@@H]1CCN(C)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000498711979 561532512 /nfs/dbraw/zinc/53/25/12/561532512.db2.gz WBPOEVGUHAAYQI-QGZVFWFLSA-N 0 3 356.470 2.266 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000285291851 551733228 /nfs/dbraw/zinc/73/32/28/551733228.db2.gz GKBSSCBZIYWWHP-UHFFFAOYSA-N 0 3 354.248 2.238 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285651239 551789740 /nfs/dbraw/zinc/78/97/40/551789740.db2.gz ZZEYYCLPZBMVAD-UHFFFAOYSA-N 0 3 358.417 2.303 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccccc3C)C2)CC1 ZINC000286420280 551884650 /nfs/dbraw/zinc/88/46/50/551884650.db2.gz FVKXYLDRGYFZRE-QGZVFWFLSA-N 0 3 355.482 2.078 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000286487597 551891536 /nfs/dbraw/zinc/89/15/36/551891536.db2.gz JQMQSOCRCKWGES-HXUWFJFHSA-N 0 3 369.509 2.377 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CCC)CCc2ccccn2)CC1 ZINC000286616743 551906659 /nfs/dbraw/zinc/90/66/59/551906659.db2.gz LQZJGLVLJMHQCW-UHFFFAOYSA-N 0 3 372.513 2.019 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000286754239 551922336 /nfs/dbraw/zinc/92/23/36/551922336.db2.gz SVPYGRURMCVSCQ-QZTJIDSGSA-N 0 3 369.509 2.466 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CCCN(CC3CCCCC3)CC2)o1 ZINC000286781196 551925022 /nfs/dbraw/zinc/92/50/22/551925022.db2.gz XCIFUKPUMZYMMA-UHFFFAOYSA-N 0 3 351.472 2.428 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000286837693 551931871 /nfs/dbraw/zinc/93/18/71/551931871.db2.gz XVXBESZHYHWTDG-ICSRJNTNSA-N 0 3 369.509 2.281 20 30 FEEDHN C[C@H]1CCCCN1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286844516 551932726 /nfs/dbraw/zinc/93/27/26/551932726.db2.gz KPAJVGKCZPTHOM-GJZGRUSLSA-N 0 3 351.472 2.426 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2nccs2)cc1 ZINC000287000716 551950376 /nfs/dbraw/zinc/95/03/76/551950376.db2.gz BBRQHGQJHOQOJA-LLVKDONJSA-N 0 3 364.452 2.493 20 30 FEEDHN C#CCCCCNC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000287191558 551974641 /nfs/dbraw/zinc/97/46/41/551974641.db2.gz UGVADTFKVNKSLQ-OAQYLSRUSA-N 0 3 368.525 2.392 20 30 FEEDHN C#CCN(Cc1ccccc1)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000287397451 551998763 /nfs/dbraw/zinc/99/87/63/551998763.db2.gz IXTJORBPKLVRNM-LJQANCHMSA-N 0 3 356.514 2.105 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCSCC2)cc1 ZINC000287646538 552029888 /nfs/dbraw/zinc/02/98/88/552029888.db2.gz OXRBSLUGTNNGGA-LLVKDONJSA-N 0 3 353.469 2.389 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCCCCO)cc1 ZINC000287816529 552050547 /nfs/dbraw/zinc/05/05/47/552050547.db2.gz YTVNTRVYHZLXPT-CYBMUJFWSA-N 0 3 353.444 2.047 20 30 FEEDHN C=CCCCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000288171157 552103992 /nfs/dbraw/zinc/10/39/92/552103992.db2.gz MPYMPHPRMRRHCL-HKUYNNGSSA-N 0 3 357.498 2.486 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000288312200 552131165 /nfs/dbraw/zinc/13/11/65/552131165.db2.gz WYENTHFHBDLSLO-WBMJQRKESA-N 0 3 360.845 2.235 20 30 FEEDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000288866299 552227187 /nfs/dbraw/zinc/22/71/87/552227187.db2.gz QHBLISDHOJDMJX-GJZGRUSLSA-N 0 3 360.458 2.153 20 30 FEEDHN CCS[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289630858 552352371 /nfs/dbraw/zinc/35/23/71/552352371.db2.gz BNXLKPPRAUBLES-CABCVRRESA-N 0 3 353.513 2.381 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290146760 552434606 /nfs/dbraw/zinc/43/46/06/552434606.db2.gz NFDYJSNDNWLKRE-RHSMWYFYSA-N 0 3 357.454 2.071 20 30 FEEDHN C#C[C@@H](NCc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)C(C)(C)C ZINC000290253088 552448535 /nfs/dbraw/zinc/44/85/35/552448535.db2.gz VWVGYTCGVHBJNN-LJQANCHMSA-N 0 3 374.481 2.070 20 30 FEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Br)nc1 ZINC000290856563 552550774 /nfs/dbraw/zinc/55/07/74/552550774.db2.gz ZXEIWDOGKVVBLC-ZEIZSXSISA-N 0 3 365.231 2.021 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2noc(COC(C)C)n2)CC1 ZINC000290869712 552553033 /nfs/dbraw/zinc/55/30/33/552553033.db2.gz RJXGKBYEOPCRPJ-AWEZNQCLSA-N 0 3 365.478 2.395 20 30 FEEDHN Cc1nsc(N2CCN(C(=O)c3ccc(CN(C)C)cc3)CC2)c1C#N ZINC000291020682 552577224 /nfs/dbraw/zinc/57/72/24/552577224.db2.gz DIOOBHIHXCNSHB-UHFFFAOYSA-N 0 3 369.494 2.347 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncn(C(C)(C)C)n1 ZINC000292004447 552683742 /nfs/dbraw/zinc/68/37/42/552683742.db2.gz ICBJAMQZUXCIKI-UHFFFAOYSA-N 0 3 354.458 2.109 20 30 FEEDHN COc1cc(C#N)ccc1OCCN[C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000292039681 552687367 /nfs/dbraw/zinc/68/73/67/552687367.db2.gz AJIJBDFGNZPVCH-KUHUBIRLSA-N 0 3 353.422 2.193 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1SC(F)F ZINC000293252683 552803384 /nfs/dbraw/zinc/80/33/84/552803384.db2.gz DMVUROZLBDCXRI-UHFFFAOYSA-N 0 3 355.410 2.011 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2c(ccn2CCC)c1 ZINC000293347465 552813873 /nfs/dbraw/zinc/81/38/73/552813873.db2.gz KNQFHUVWWMUWDV-UHFFFAOYSA-N 0 3 354.454 2.061 20 30 FEEDHN CS[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H]1N1CCCC1 ZINC000293514574 552831509 /nfs/dbraw/zinc/83/15/09/552831509.db2.gz OCHZZEAEBKOWCR-ROUUACIJSA-N 0 3 358.511 2.276 20 30 FEEDHN C#CCNC(=O)CCN1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000294491312 552910306 /nfs/dbraw/zinc/91/03/06/552910306.db2.gz HVRMFTXLZLDVSK-UHFFFAOYSA-N 0 3 368.437 2.064 20 30 FEEDHN N#C[C@@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC12CCCC2 ZINC000294619786 552921090 /nfs/dbraw/zinc/92/10/90/552921090.db2.gz RMLHYOFWGSNYCP-OAQYLSRUSA-N 0 3 367.497 2.184 20 30 FEEDHN CCN1CCN(C[C@H](C)CNc2ncc(Br)cc2C#N)CC1 ZINC000294800533 552935057 /nfs/dbraw/zinc/93/50/57/552935057.db2.gz CEUSUBYVRPCUFN-CYBMUJFWSA-N 0 3 366.307 2.401 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000294933065 552945468 /nfs/dbraw/zinc/94/54/68/552945468.db2.gz XPVZQCDCPZERHJ-DOMZBBRYSA-N 0 3 356.451 2.366 20 30 FEEDHN CO[C@@]1(C)C[C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000295093524 552958494 /nfs/dbraw/zinc/95/84/94/552958494.db2.gz AHHNWQDMPUXIBY-UZLBHIALSA-N 0 3 367.453 2.476 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000295270239 552978979 /nfs/dbraw/zinc/97/89/79/552978979.db2.gz RZDFEJDKHXJOCD-CXAGYDPISA-N 0 3 353.463 2.189 20 30 FEEDHN CC[C@H](C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 ZINC000295971245 553083152 /nfs/dbraw/zinc/08/31/52/553083152.db2.gz NXUGLXBQQPLAPI-HNNXBMFYSA-N 0 3 354.458 2.186 20 30 FEEDHN CN(C)C(=O)O[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000296731335 553204180 /nfs/dbraw/zinc/20/41/80/553204180.db2.gz NZEDMUBQGUSNSJ-CQSZACIVSA-N 0 3 364.833 2.313 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000296993245 553239589 /nfs/dbraw/zinc/23/95/89/553239589.db2.gz SSLFWUOKUVPBSX-IRXDYDNUSA-N 0 3 351.397 2.049 20 30 FEEDHN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000296999163 553240686 /nfs/dbraw/zinc/24/06/86/553240686.db2.gz JLLDNKWXJZNZGN-CQSZACIVSA-N 0 3 365.474 2.333 20 30 FEEDHN CC(C)N(CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C ZINC000503985391 561651240 /nfs/dbraw/zinc/65/12/40/561651240.db2.gz IDGYZIJNCDYBQV-UHFFFAOYSA-N 0 3 368.459 2.206 20 30 FEEDHN CN(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1cccc(F)c1 ZINC000301326708 553642419 /nfs/dbraw/zinc/64/24/19/553642419.db2.gz BHARMPWUJHQYSE-QGZVFWFLSA-N 0 3 362.430 2.060 20 30 FEEDHN O=C(Nc1ccccc1CN1CCC(O)CC1)[C@H]1CCc2n[nH]nc2C1 ZINC000328766047 553819386 /nfs/dbraw/zinc/81/93/86/553819386.db2.gz HAWGPUSYTQLTLH-ZDUSSCGKSA-N 0 3 355.442 2.155 20 30 FEEDHN O=C(N[C@H]1CCN(C2CC2)C1)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000328867056 553835880 /nfs/dbraw/zinc/83/58/80/553835880.db2.gz GWQMJPFWNPVSDW-XJKSGUPXSA-N 0 3 360.433 2.061 20 30 FEEDHN CC(=O)N1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CC12CCCCC2 ZINC000328934907 553848627 /nfs/dbraw/zinc/84/86/27/553848627.db2.gz CGAQHYCJKFSHPT-SJLPKXTDSA-N 0 3 364.534 2.496 20 30 FEEDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978059 553857298 /nfs/dbraw/zinc/85/72/98/553857298.db2.gz QQWJUZWWWLLRKD-CLCXKQKWSA-N 0 3 362.426 2.255 20 30 FEEDHN CCN1CCC[C@H](NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)C1 ZINC000329003267 553862759 /nfs/dbraw/zinc/86/27/59/553862759.db2.gz YBCMFLIKYNLAFV-KRWDZBQOSA-N 0 3 350.507 2.252 20 30 FEEDHN CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@H](C)N3CCC[C@@H](C)C3)CC[C@@H]21 ZINC000329011441 553864094 /nfs/dbraw/zinc/86/40/94/553864094.db2.gz DSTKPTQAEDQMPR-TWMKSMIVSA-N 0 3 365.522 2.102 20 30 FEEDHN C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)NC(=O)[N-]C1=O ZINC000329242469 553909203 /nfs/dbraw/zinc/90/92/03/553909203.db2.gz OIVSFZQKRFZEJC-MOROJQBDSA-N 0 3 363.462 2.025 20 30 FEEDHN C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)NC(=O)[N-]C1=O ZINC000329242469 553909204 /nfs/dbraw/zinc/90/92/04/553909204.db2.gz OIVSFZQKRFZEJC-MOROJQBDSA-N 0 3 363.462 2.025 20 30 FEEDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1cn(-c2ccccc2)nn1 ZINC000329290048 553918690 /nfs/dbraw/zinc/91/86/90/553918690.db2.gz QHHDPWPUNIASGS-MPGHIAIKSA-N 0 3 354.458 2.268 20 30 FEEDHN N#Cc1ccc(-n2ccc(NC(=O)N3CCN4CCC[C@@H]4C3)n2)c(Cl)c1 ZINC000329352182 553930203 /nfs/dbraw/zinc/93/02/03/553930203.db2.gz XNRCYYCEUZBFIQ-CQSZACIVSA-N 0 3 370.844 2.709 20 30 FEEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H](c4nc[nH]n4)C3)C2=O)cc1 ZINC000329468899 553952350 /nfs/dbraw/zinc/95/23/50/553952350.db2.gz XRJFOKSYGYOBDV-DOTOQJQBSA-N 0 3 350.426 2.051 20 30 FEEDHN CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)no1 ZINC000329527648 553962214 /nfs/dbraw/zinc/96/22/14/553962214.db2.gz UICGFBAHGUJIKU-GUTXKFCHSA-N 0 3 363.462 2.106 20 30 FEEDHN CC(C)N1CC[C@@H](NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1=O ZINC000329715326 553994305 /nfs/dbraw/zinc/99/43/05/553994305.db2.gz UVPALZVWISRQHI-BPQIPLTHSA-N 0 3 358.486 2.335 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000329714670 553994371 /nfs/dbraw/zinc/99/43/71/553994371.db2.gz TXVINCAWBOAJQM-LVIIFESRSA-N 0 3 365.478 2.128 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CCN1C ZINC000329720821 553994787 /nfs/dbraw/zinc/99/47/87/553994787.db2.gz MWJDSGPOKQINTH-QLFBSQMISA-N 0 3 373.453 2.250 20 30 FEEDHN C[C@H](CNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)CN1CCCC1 ZINC000329792285 554006795 /nfs/dbraw/zinc/00/67/95/554006795.db2.gz FJJMYMYQCRGNLV-MRXNPFEDSA-N 0 3 371.547 2.066 20 30 FEEDHN CC(C)CC(=O)N1CCC(NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000329800214 554007805 /nfs/dbraw/zinc/00/78/05/554007805.db2.gz IJCIGZUIMYYCSX-WMLDXEAASA-N 0 3 350.507 2.010 20 30 FEEDHN Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)CC2)nn1 ZINC000329804771 554008985 /nfs/dbraw/zinc/00/89/85/554008985.db2.gz MJBLXYHIVHSDBA-JKSUJKDBSA-N 0 3 360.506 2.082 20 30 FEEDHN COCCN1CC[C@H](NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C1 ZINC000329888052 554025338 /nfs/dbraw/zinc/02/53/38/554025338.db2.gz YHJMGTDJSBLRAE-WBVHZDCISA-N 0 3 366.506 2.232 20 30 FEEDHN C[C@@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1n1ccnc1 ZINC000329948898 554037429 /nfs/dbraw/zinc/03/74/29/554037429.db2.gz LBOSZADNHWFZDR-BFYDXBDKSA-N 0 3 351.520 2.117 20 30 FEEDHN CN(C)[C@@]1(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)CCSC1 ZINC000330056039 554056115 /nfs/dbraw/zinc/05/61/15/554056115.db2.gz VFZBBYHETVAZQX-GOSISDBHSA-N 0 3 368.547 2.308 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCn3cnnc3[C@@H]2C)C1 ZINC000330066561 554058123 /nfs/dbraw/zinc/05/81/23/554058123.db2.gz SZCCUDGXFPECJM-VYDXJSESSA-N 0 3 354.458 2.404 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000330088039 554062229 /nfs/dbraw/zinc/06/22/29/554062229.db2.gz NSGLIBSBHLTFBK-WBVHZDCISA-N 0 3 374.533 2.437 20 30 FEEDHN CC(C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)S(=O)(=O)C1CCOCC1 ZINC000330104021 554064990 /nfs/dbraw/zinc/06/49/90/554064990.db2.gz GRCGFSCBPJKLPS-BEAPCOKYSA-N 0 3 359.488 2.129 20 30 FEEDHN O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@H]1CCCc2cn[nH]c21 ZINC000330161993 554076251 /nfs/dbraw/zinc/07/62/51/554076251.db2.gz UGVSEVSPYFDRGT-SFHVURJKSA-N 0 3 369.469 2.323 20 30 FEEDHN O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000330175608 554078587 /nfs/dbraw/zinc/07/85/87/554078587.db2.gz JGPUUJDPJYUOMY-LLVKDONJSA-N 0 3 362.396 2.368 20 30 FEEDHN Cc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1N1CCNC1=O ZINC000330196845 554082866 /nfs/dbraw/zinc/08/28/66/554082866.db2.gz QYVSROWOQSHVJV-YOEHRIQHSA-N 0 3 357.458 2.301 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1F ZINC000330197203 554083057 /nfs/dbraw/zinc/08/30/57/554083057.db2.gz RMHXLHQKCCDXFB-RDTXWAMCSA-N 0 3 363.458 2.335 20 30 FEEDHN CC[C@@H](NC(=O)Nc1ccn(C2CCN(C)CC2)n1)c1c(C)nn(C)c1C ZINC000330208967 554085856 /nfs/dbraw/zinc/08/58/56/554085856.db2.gz HDRSITLQTKYZDA-MRXNPFEDSA-N 0 3 373.505 2.977 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCCN4C[C@H]3CC)cc2C1=O ZINC000330238673 554090789 /nfs/dbraw/zinc/09/07/89/554090789.db2.gz ZYZAQOPHIGUDJT-CVEARBPZSA-N 0 3 367.449 2.167 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000330317622 554103892 /nfs/dbraw/zinc/10/38/92/554103892.db2.gz BUPBSDIFUVARBI-KYHPRHEASA-N 0 3 363.506 2.264 20 30 FEEDHN CC(C)C(=O)NC1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000330417007 554118798 /nfs/dbraw/zinc/11/87/98/554118798.db2.gz VNFOYRHHPGRMLE-HZPDHXFCSA-N 0 3 352.523 2.257 20 30 FEEDHN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NC[C@@H](C)N(C)C ZINC000330487553 554127993 /nfs/dbraw/zinc/12/79/93/554127993.db2.gz GQQOTXIQSNQCQH-CQSZACIVSA-N 0 3 364.515 2.460 20 30 FEEDHN CN(C)C(=O)CCN1CCC(NC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000330666416 554153951 /nfs/dbraw/zinc/15/39/51/554153951.db2.gz IGLBDQIFXCLLQE-UHFFFAOYSA-N 0 3 354.401 2.233 20 30 FEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308856 554245246 /nfs/dbraw/zinc/24/52/46/554245246.db2.gz XLAWEGWGLYKBEM-NEPJUHHUSA-N 0 3 357.380 2.368 20 30 FEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000331484385 554272751 /nfs/dbraw/zinc/27/27/51/554272751.db2.gz GNYAZJKWWAZIBN-NLWGTHIKSA-N 0 3 353.422 2.037 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000331872060 554335613 /nfs/dbraw/zinc/33/56/13/554335613.db2.gz HDGXLNSFGZAJQJ-CQSZACIVSA-N 0 3 366.469 2.128 20 30 FEEDHN CCN1CCC(N(C)C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000331896789 554341642 /nfs/dbraw/zinc/34/16/42/554341642.db2.gz YHUQYTGEMORSSZ-GOSISDBHSA-N 0 3 369.513 2.421 20 30 FEEDHN CCN1CCC(N(C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 ZINC000332090110 554377857 /nfs/dbraw/zinc/37/78/57/554377857.db2.gz LUGWYZAUFFRSKY-UHFFFAOYSA-N 0 3 368.485 2.093 20 30 FEEDHN Cc1cc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)c(C#N)cc1N(C)C ZINC000332648950 554490741 /nfs/dbraw/zinc/49/07/41/554490741.db2.gz XZSPKCHYDZCTMM-INIZCTEOSA-N 0 3 372.517 2.080 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000360140547 554863926 /nfs/dbraw/zinc/86/39/26/554863926.db2.gz KVFWFUCPBMZONL-KRWDZBQOSA-N 0 3 354.454 2.282 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)CN1CCCCC1 ZINC000613157195 554894051 /nfs/dbraw/zinc/89/40/51/554894051.db2.gz XCBNUSWZOFIWHQ-OAHLLOKOSA-N 0 3 367.457 2.443 20 30 FEEDHN CC[C@H](CN1CCCC1)NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000613161023 554894679 /nfs/dbraw/zinc/89/46/79/554894679.db2.gz OHKGDCBOESNMKM-MRXNPFEDSA-N 0 3 367.457 2.443 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000361288078 554914598 /nfs/dbraw/zinc/91/45/98/554914598.db2.gz OEIPWMBDCFFWLL-RTBURBONSA-N 0 3 354.454 2.119 20 30 FEEDHN C[C@H]1CCCN(CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000362710093 554983326 /nfs/dbraw/zinc/98/33/26/554983326.db2.gz HXHJZUFAOGDMTB-LPHOPBHVSA-N 0 3 356.470 2.373 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(CCN(C)C)CC1 ZINC000362834728 554991987 /nfs/dbraw/zinc/99/19/87/554991987.db2.gz PHZXPKKZKIARHU-HXUWFJFHSA-N 0 3 372.513 2.058 20 30 FEEDHN CN(C)CCOc1cc(CNC(=O)NCC#Cc2cccc(F)c2)ccn1 ZINC000511786821 561880593 /nfs/dbraw/zinc/88/05/93/561880593.db2.gz VREDTSHUXIBOBZ-UHFFFAOYSA-N 0 3 370.428 2.012 20 30 FEEDHN CC(C)(C)C(=O)N1CCCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000363230754 555059150 /nfs/dbraw/zinc/05/91/50/555059150.db2.gz LQASWGLZDOLPNP-UHFFFAOYSA-N 0 3 356.470 2.467 20 30 FEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCN1CCN(CC)CC1 ZINC000511970886 561887514 /nfs/dbraw/zinc/88/75/14/561887514.db2.gz OOSXFYFUXKWXAQ-UHFFFAOYSA-N 0 3 360.458 2.137 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(OC[C@@H]3CCOC3)CC2)CC1 ZINC000363650810 555155434 /nfs/dbraw/zinc/15/54/34/555155434.db2.gz IOXSEVZXGHGZFV-QGZVFWFLSA-N 0 3 365.518 2.254 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000512173072 561894881 /nfs/dbraw/zinc/89/48/81/561894881.db2.gz RWRGOHXJFHKWJV-UHFFFAOYSA-N 0 3 368.412 2.113 20 30 FEEDHN C#CCOc1ccc(CN[C@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1 ZINC000363979835 555226470 /nfs/dbraw/zinc/22/64/70/555226470.db2.gz UKOYAWSVOHVFMN-FQEVSTJZSA-N 0 3 364.449 2.078 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccccc1OCC#N ZINC000364567246 555340549 /nfs/dbraw/zinc/34/05/49/555340549.db2.gz ZDODKZJDXZUHIH-JFIYKMOQSA-N 0 3 357.454 2.208 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2Cc2ccccc2)CC1 ZINC000512450306 561905457 /nfs/dbraw/zinc/90/54/57/561905457.db2.gz QRHVDDUEIOMCFL-SFTDATJTSA-N 0 3 368.525 2.386 20 30 FEEDHN CCCN1CCN(C2CCN(c3nc4ccccn4c3C#N)CC2)CC1 ZINC000364682797 555373844 /nfs/dbraw/zinc/37/38/44/555373844.db2.gz QERQLZQBLRJJIG-UHFFFAOYSA-N 0 3 352.486 2.202 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000512664800 561911724 /nfs/dbraw/zinc/91/17/24/561911724.db2.gz BMSYKVMHJCBANW-AZUAARDMSA-N 0 3 369.513 2.280 20 30 FEEDHN C[C@H](CO)N1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000364935499 555443238 /nfs/dbraw/zinc/44/32/38/555443238.db2.gz MSUIXOBIHJJUDF-QGZVFWFLSA-N 0 3 359.470 2.022 20 30 FEEDHN Cc1nc(COc2ccc(CNCCn3cnc(C#N)n3)cc2)cs1 ZINC000512892423 561919135 /nfs/dbraw/zinc/91/91/35/561919135.db2.gz VVHPKAPNVFOWNN-UHFFFAOYSA-N 0 3 354.439 2.284 20 30 FEEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000365187263 555505614 /nfs/dbraw/zinc/50/56/14/555505614.db2.gz RIUDYVSVPWBCQS-OLZOCXBDSA-N 0 3 366.368 2.144 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CCN2CCOCC2)CC1 ZINC000513819221 561951058 /nfs/dbraw/zinc/95/10/58/561951058.db2.gz RYCFLUIINQYBAR-GOSISDBHSA-N 0 3 351.535 2.234 20 30 FEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCN(c2cccnn2)CC1 ZINC000366371418 555825113 /nfs/dbraw/zinc/82/51/13/555825113.db2.gz ILZYAQFLHCXGES-GOSISDBHSA-N 0 3 374.448 2.158 20 30 FEEDHN CN1CCN(C2(CNC(=O)NCC3(CC#N)CC3)CCCCCC2)CC1 ZINC000366581554 555882243 /nfs/dbraw/zinc/88/22/43/555882243.db2.gz ZOXKFMKOTDVMCP-UHFFFAOYSA-N 0 3 361.534 2.320 20 30 FEEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000514245207 561965502 /nfs/dbraw/zinc/96/55/02/561965502.db2.gz TZCURTYAASACEP-UGLNBPRTSA-N 0 3 351.491 2.483 20 30 FEEDHN N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000367418145 556043164 /nfs/dbraw/zinc/04/31/64/556043164.db2.gz JTXRCRKALKQEJV-KRWDZBQOSA-N 0 3 370.478 2.282 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000367454802 556054237 /nfs/dbraw/zinc/05/42/37/556054237.db2.gz WVPRQKUVDQWMSI-MRXNPFEDSA-N 0 3 355.486 2.499 20 30 FEEDHN CN(CCC#N)c1ccc(CN[C@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000368459649 556316140 /nfs/dbraw/zinc/31/61/40/556316140.db2.gz ZKOSBPRXSMJLNC-IBGZPJMESA-N 0 3 363.465 2.436 20 30 FEEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000515351110 562006600 /nfs/dbraw/zinc/00/66/00/562006600.db2.gz DXFBOSDHFPVIER-UHFFFAOYSA-N 0 3 365.437 2.002 20 30 FEEDHN CN(C(=O)COc1ccccc1C#N)C1CCN(c2ccncc2)CC1 ZINC000368932561 556452013 /nfs/dbraw/zinc/45/20/13/556452013.db2.gz SJRDBXCLPIPJQA-UHFFFAOYSA-N 0 3 350.422 2.459 20 30 FEEDHN Cc1ccc(C)c(OC[C@H](O)CN2CCC(n3cnc(C#N)n3)CC2)c1C ZINC000369388632 556587282 /nfs/dbraw/zinc/58/72/82/556587282.db2.gz HCVXPUUNMYHDED-GOSISDBHSA-N 0 3 369.469 2.152 20 30 FEEDHN COc1ccc([C@@H]2[C@H](CNC(=O)N3CCO[C@H](C#N)C3)CCCN2C)cc1 ZINC000369399112 556590694 /nfs/dbraw/zinc/59/06/94/556590694.db2.gz ADZMNSFIFGGZBI-QXAKKESOSA-N 0 3 372.469 2.012 20 30 FEEDHN C#CCNC(=O)c1ccc(NC[C@H]2CCN(C)[C@@H]2c2cccs2)nc1 ZINC000369561386 556631512 /nfs/dbraw/zinc/63/15/12/556631512.db2.gz PAUPTKKTTRXFGP-KDOFPFPSSA-N 0 3 354.479 2.611 20 30 FEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@@]2(CO)Cc2ccccc2)cc1 ZINC000370008517 556756317 /nfs/dbraw/zinc/75/63/17/556756317.db2.gz ORCHUASERVMXGD-QFIPXVFZSA-N 0 3 363.461 2.244 20 30 FEEDHN N#C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCN1C1CC1 ZINC000370990709 557038413 /nfs/dbraw/zinc/03/84/13/557038413.db2.gz IGVNHTFQZUOUPE-YLJYHZDGSA-N 0 3 370.472 2.236 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371335250 557150934 /nfs/dbraw/zinc/15/09/34/557150934.db2.gz JXIVYJKKLGBKOU-FQEVSTJZSA-N 0 3 368.481 2.468 20 30 FEEDHN C[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000517469407 562090827 /nfs/dbraw/zinc/09/08/27/562090827.db2.gz KKQSXIWEEGYARC-INIZCTEOSA-N 0 3 356.470 2.453 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCCN(c3cncc(F)c3)CC2)cc1 ZINC000371985695 557346872 /nfs/dbraw/zinc/34/68/72/557346872.db2.gz VFIZJZHKVUKPMZ-IBGZPJMESA-N 0 3 370.428 2.044 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000518835955 562119603 /nfs/dbraw/zinc/11/96/03/562119603.db2.gz UCQSTGSSFSKEQO-SJORKVTESA-N 0 3 373.476 2.450 20 30 FEEDHN COc1cc(/C=C/C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)ccc1OCC#N ZINC000372983809 557603519 /nfs/dbraw/zinc/60/35/19/557603519.db2.gz VIIDAJNOXHERCZ-XQTSXYSPSA-N 0 3 355.438 2.163 20 30 FEEDHN CN1CCC(n2ccc(=NC(=O)CSCc3ccc(C#N)cc3)[nH]2)CC1 ZINC000373245079 557657815 /nfs/dbraw/zinc/65/78/15/557657815.db2.gz SETZQEGPPOBAJL-UHFFFAOYSA-N 0 3 369.494 2.893 20 30 FEEDHN C=CCN(C(=O)NCc1noc(C)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000373503465 557706265 /nfs/dbraw/zinc/70/62/65/557706265.db2.gz DRSZRLJHSTWBAY-KRWDZBQOSA-N 0 3 355.442 2.350 20 30 FEEDHN CC(C)(C)OC(=O)N1CC[C@](C)(CN2CCC(n3cnc(C#N)n3)CC2)C1 ZINC000374224168 557846193 /nfs/dbraw/zinc/84/61/93/557846193.db2.gz HQGLVGJEPLFLDF-LJQANCHMSA-N 0 3 374.489 2.434 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCc3ccccc3OC2)cc1 ZINC000374628736 557908811 /nfs/dbraw/zinc/90/88/11/557908811.db2.gz UBYAFVYEMZWCHT-KRWDZBQOSA-N 0 3 356.447 2.315 20 30 FEEDHN C=CCN1CC[C@H](N[C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)C1=O ZINC000374845479 557939794 /nfs/dbraw/zinc/93/97/94/557939794.db2.gz WNSMRPARZLJESR-AABGKKOBSA-N 0 3 355.482 2.350 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000374967737 557957654 /nfs/dbraw/zinc/95/76/54/557957654.db2.gz GOPRZNPKXISQOK-UHFFFAOYSA-N 0 3 370.497 2.079 20 30 FEEDHN CN(CCC#N)c1ccc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1 ZINC000375401798 558021188 /nfs/dbraw/zinc/02/11/88/558021188.db2.gz QCICKUFFFZIATI-HUUCEWRRSA-N 0 3 354.376 2.132 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000375879596 558093044 /nfs/dbraw/zinc/09/30/44/558093044.db2.gz IJZACJUVSCOZFE-AQKVLALTSA-N 0 3 352.482 2.198 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2SCCc3ccccc32)nc1 ZINC000521612196 562180157 /nfs/dbraw/zinc/18/01/57/562180157.db2.gz KQWYMMXVDXTLME-QGZVFWFLSA-N 0 3 373.503 2.347 20 30 FEEDHN C#CC[C@H](NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)c1ccccc1 ZINC000376208079 558141200 /nfs/dbraw/zinc/14/12/00/558141200.db2.gz CFARIUKQPVNEKA-UXHICEINSA-N 0 3 354.498 2.172 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2C)CC1 ZINC000376297265 558153896 /nfs/dbraw/zinc/15/38/96/558153896.db2.gz YHWUWLGRJXTFLO-LJQANCHMSA-N 0 3 370.497 2.218 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000376348878 558161548 /nfs/dbraw/zinc/16/15/48/558161548.db2.gz HNUMEZRHROOZSZ-WBMJQRKESA-N 0 3 353.875 2.459 20 30 FEEDHN CCc1nc(CN2C[C@@H]3CN(Cc4ccc(C#N)cc4OC)C[C@H]3C2)no1 ZINC000378363947 558539734 /nfs/dbraw/zinc/53/97/34/558539734.db2.gz ZIAHOSHTVNLLEP-IRXDYDNUSA-N 0 3 367.453 2.076 20 30 FEEDHN C[C@H](CN(C)Cc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000388532332 558608598 /nfs/dbraw/zinc/60/85/98/558608598.db2.gz OOZOZQUAVISRGV-QGZVFWFLSA-N 0 3 371.506 2.442 20 30 FEEDHN C[C@@H]1CCC[C@](CNCCS(=O)(=O)c2cccc(C#N)c2)(N(C)C)C1 ZINC000392795322 558618968 /nfs/dbraw/zinc/61/89/68/558618968.db2.gz QPVQEMJPHLALDH-APWZRJJASA-N 0 3 363.527 2.432 20 30 FEEDHN N#Cc1ccnc(NCC2(O)CCN(Cc3ccccc3)CC2)c1Cl ZINC000397667890 558624969 /nfs/dbraw/zinc/62/49/69/558624969.db2.gz GMSOQXINYBJVHI-UHFFFAOYSA-N 0 3 356.857 3.046 20 30 FEEDHN C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)n1cnc(C#N)n1 ZINC000409491556 558696709 /nfs/dbraw/zinc/69/67/09/558696709.db2.gz AEWDJPMCAJUERV-FUHWJXTLSA-N 0 3 366.469 2.300 20 30 FEEDHN C[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1 ZINC000409747424 558718338 /nfs/dbraw/zinc/71/83/38/558718338.db2.gz MZVPQNLNRXQTTN-JFIYKMOQSA-N 0 3 366.469 2.222 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2c3c(ccc2OC)CCC3)CC1 ZINC000411222609 558855691 /nfs/dbraw/zinc/85/56/91/558855691.db2.gz HGUFTCIPZIHPKK-UHFFFAOYSA-N 0 3 371.481 2.279 20 30 FEEDHN C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000411575777 558921002 /nfs/dbraw/zinc/92/10/02/558921002.db2.gz NTQMPBMIADWKGH-UHFFFAOYSA-N 0 3 351.422 2.033 20 30 FEEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411781781 558962046 /nfs/dbraw/zinc/96/20/46/558962046.db2.gz CLQYBHBGYKCYTI-ILXRZTDVSA-N 0 3 361.467 2.437 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000412721970 559052775 /nfs/dbraw/zinc/05/27/75/559052775.db2.gz XCXCDUSRBVQXLG-ROUUACIJSA-N 0 3 351.381 2.272 20 30 FEEDHN COC(=O)[C@@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000413180771 559086021 /nfs/dbraw/zinc/08/60/21/559086021.db2.gz PNVIDHWZEKRFTK-ZWKOTPCHSA-N 0 3 357.454 2.038 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000413825456 559132959 /nfs/dbraw/zinc/13/29/59/559132959.db2.gz GGEKKUPIQSGQLU-FQEVSTJZSA-N 0 3 358.530 2.453 20 30 FEEDHN COc1ccc(C[C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000414140685 559150667 /nfs/dbraw/zinc/15/06/67/559150667.db2.gz RDKKPMKFZRFYCP-BEFAXECRSA-N 0 3 364.449 2.284 20 30 FEEDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415424606 559234812 /nfs/dbraw/zinc/23/48/12/559234812.db2.gz IMUBFMJRUXDTLD-GFCCVEGCSA-N 0 3 356.348 2.005 20 30 FEEDHN CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](NCCC(C)(C)C#N)C1=O ZINC000527193830 562279591 /nfs/dbraw/zinc/27/95/91/562279591.db2.gz YJUJSMKJJCSMFF-CABCVRRESA-N 0 3 351.491 2.483 20 30 FEEDHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000415833357 559276594 /nfs/dbraw/zinc/27/65/94/559276594.db2.gz HQBBGXTWVPLBDE-KRWDZBQOSA-N 0 3 350.422 2.184 20 30 FEEDHN N#CCC[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCCC1)c1ccccc1 ZINC000419477979 559444476 /nfs/dbraw/zinc/44/44/76/559444476.db2.gz RZZXVULWFZKWQL-ZWKOTPCHSA-N 0 3 356.470 2.171 20 30 FEEDHN C=CC[C@H]1N(C(=O)C(=O)NCCCNCc2cccnc2)CCCC1(C)C ZINC000419853140 559462298 /nfs/dbraw/zinc/46/22/98/559462298.db2.gz SAZPZAZTXWIUIL-GOSISDBHSA-N 0 3 372.513 2.271 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419916187 559464327 /nfs/dbraw/zinc/46/43/27/559464327.db2.gz DRLOCBPEAZBIHM-LJQANCHMSA-N 0 3 364.449 2.111 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)C[C@@H]2CCCN2C)cc1 ZINC000421004255 559518866 /nfs/dbraw/zinc/51/88/66/559518866.db2.gz NXPZWQBAMTWGPQ-SFHVURJKSA-N 0 3 358.486 2.358 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c(C#N)cn1CC ZINC000421169466 559528401 /nfs/dbraw/zinc/52/84/01/559528401.db2.gz BGYVJBOYBLKCHH-ZDUSSCGKSA-N 0 3 373.457 2.328 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000421528555 559544562 /nfs/dbraw/zinc/54/45/62/559544562.db2.gz ZTNIOYZGNXQPOT-LJQANCHMSA-N 0 3 357.498 2.138 20 30 FEEDHN CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)c1C ZINC000424097496 559654686 /nfs/dbraw/zinc/65/46/86/559654686.db2.gz RBVVRCNODRDWDI-KRWDZBQOSA-N 0 3 369.425 2.317 20 30 FEEDHN COc1ccc(I)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424111214 559655259 /nfs/dbraw/zinc/65/52/59/559655259.db2.gz GQTTWWYLXIXTSB-NSHDSACASA-N 0 3 373.194 2.259 20 30 FEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000424145736 559656135 /nfs/dbraw/zinc/65/61/35/559656135.db2.gz OJYLEVWQYRLHJS-KRWDZBQOSA-N 0 3 363.421 2.244 20 30 FEEDHN COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](N)CCCC#N)CCN2C2CC2)c1 ZINC000424177940 559656684 /nfs/dbraw/zinc/65/66/84/559656684.db2.gz VNHYXVXBFZTGNS-GBESFXJTSA-N 0 3 356.470 2.110 20 30 FEEDHN CCOc1ccccc1CN1CCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)C1 ZINC000424178541 559656890 /nfs/dbraw/zinc/65/68/90/559656890.db2.gz WWCQRODFOROPDD-FUHWJXTLSA-N 0 3 358.486 2.139 20 30 FEEDHN CN1CCN(CC2(C)CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000425250185 559693275 /nfs/dbraw/zinc/69/32/75/559693275.db2.gz VRCBWOZCQLKCHP-UHFFFAOYSA-N 0 3 357.458 2.320 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)nn1 ZINC000425423103 559701365 /nfs/dbraw/zinc/70/13/65/559701365.db2.gz YQWVGSUNJCUKOP-DOTOQJQBSA-N 0 3 354.458 2.099 20 30 FEEDHN C=CCn1cc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)nn1 ZINC000425469996 559703946 /nfs/dbraw/zinc/70/39/46/559703946.db2.gz FGMUZBQUSDKQHH-SJLPKXTDSA-N 0 3 368.485 2.316 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000425883599 559723841 /nfs/dbraw/zinc/72/38/41/559723841.db2.gz MRCMABLJPUQGRW-IXDOHACOSA-N 0 3 370.497 2.314 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000425886979 559723980 /nfs/dbraw/zinc/72/39/80/559723980.db2.gz QXKKRNVASYVPGB-CRAIPNDOSA-N 0 3 368.481 2.211 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(N)=O)C(C)C ZINC000427119494 559748322 /nfs/dbraw/zinc/74/83/22/559748322.db2.gz JSECASZGTGCHFI-OAHLLOKOSA-N 0 3 351.520 2.095 20 30 FEEDHN N#Cc1cnc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c(Cl)c1 ZINC000428551341 559778071 /nfs/dbraw/zinc/77/80/71/559778071.db2.gz SJFIVMQGFQYWLF-HNNXBMFYSA-N 0 3 356.813 2.426 20 30 FEEDHN N#Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)o1 ZINC000429907630 559808427 /nfs/dbraw/zinc/80/84/27/559808427.db2.gz ZYNOACMKRTYRPY-UHFFFAOYSA-N 0 3 352.438 2.483 20 30 FEEDHN COC(=O)COc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430177497 559814816 /nfs/dbraw/zinc/81/48/16/559814816.db2.gz MMDKFSSARZGBCT-SFHVURJKSA-N 0 3 367.405 2.158 20 30 FEEDHN Cc1cn2ccnc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2n1 ZINC000431472355 559839879 /nfs/dbraw/zinc/83/98/79/559839879.db2.gz RDEOKYAGJZGFPE-UHFFFAOYSA-N 0 3 362.437 2.113 20 30 FEEDHN CS(=O)(=O)Nc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433223883 559874200 /nfs/dbraw/zinc/87/42/00/559874200.db2.gz UQONPUOVLZLHTB-QGZVFWFLSA-N 0 3 371.462 2.447 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC000433372919 559878916 /nfs/dbraw/zinc/87/89/16/559878916.db2.gz QLJQKQWWERTOEP-AEFFLSMTSA-N 0 3 356.397 2.454 20 30 FEEDHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)CNc2cccc(C#N)c2)C1 ZINC000434465948 559901228 /nfs/dbraw/zinc/90/12/28/559901228.db2.gz CJTKFQRKOBMQQP-LJQANCHMSA-N 0 3 363.465 2.346 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434748316 559908380 /nfs/dbraw/zinc/90/83/80/559908380.db2.gz RKZHOHSMQKIMLE-WBKMXMRLSA-N 0 3 371.529 2.449 20 30 FEEDHN CCN1CCN(c2ccc(CNCc3ccc(C#N)c(OC)c3)cn2)CC1 ZINC000440826029 560019152 /nfs/dbraw/zinc/01/91/52/560019152.db2.gz LRSFYERZDFURIR-UHFFFAOYSA-N 0 3 365.481 2.394 20 30 FEEDHN COc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)nc2)N2CCCC2)cc1 ZINC000527669701 562299599 /nfs/dbraw/zinc/29/95/99/562299599.db2.gz KGIWISPDDYGPLC-HXUWFJFHSA-N 0 3 364.449 2.458 20 30 FEEDHN CN(C)C1(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1 ZINC000445876206 560136008 /nfs/dbraw/zinc/13/60/08/560136008.db2.gz UBAWUTQJEOPIER-UHFFFAOYSA-N 0 3 359.449 2.013 20 30 FEEDHN Cc1cc(NC(=O)Nc2cccc(OCCN(C)C)c2)nn1CCC#N ZINC000446227732 560142283 /nfs/dbraw/zinc/14/22/83/560142283.db2.gz QHMUWXYWMJZCIR-UHFFFAOYSA-N 0 3 356.430 2.690 20 30 FEEDHN COCCN1CCC(NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448799571 560200135 /nfs/dbraw/zinc/20/01/35/560200135.db2.gz OFOWDVSNJXWPTD-UHFFFAOYSA-N 0 3 366.259 2.161 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)c2cc(C#N)[nH]c2C)c1 ZINC000448890031 560205212 /nfs/dbraw/zinc/20/52/12/560205212.db2.gz FTZDTMRUPPOYNV-UHFFFAOYSA-N 0 3 370.453 2.082 20 30 FEEDHN COC(=O)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCOCC1 ZINC000448936645 560207838 /nfs/dbraw/zinc/20/78/38/560207838.db2.gz NFYZXGRFSHVSJB-MSOLQXFVSA-N 0 3 358.438 2.091 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000449548092 560233189 /nfs/dbraw/zinc/23/31/89/560233189.db2.gz LKQZMJWFNPULOC-KGLIPLIRSA-N 0 3 354.834 2.036 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCN1C ZINC000449938644 560245784 /nfs/dbraw/zinc/24/57/84/560245784.db2.gz GLZJPYAZUYYHLT-NEPJUHHUSA-N 0 3 366.259 2.298 20 30 FEEDHN Cc1c(C#N)c(N2CCN(C(=O)CN3CCCC3)CC2)nc2ccccc12 ZINC000450316505 560258332 /nfs/dbraw/zinc/25/83/32/560258332.db2.gz RBCGSVIPQAQACC-UHFFFAOYSA-N 0 3 363.465 2.159 20 30 FEEDHN C=CCOc1ccc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000450319481 560258512 /nfs/dbraw/zinc/25/85/12/560258512.db2.gz YWMDMAVZZVYGAZ-NQIIRXRSSA-N 0 3 371.525 2.278 20 30 FEEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451280196 560297842 /nfs/dbraw/zinc/29/78/42/560297842.db2.gz GHRVFQSRBMXUDM-SFHVURJKSA-N 0 3 361.511 2.464 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3cc(C#N)ccc3F)C2)CC1 ZINC000451541692 560313327 /nfs/dbraw/zinc/31/33/27/560313327.db2.gz ZWQKAHBKUOWABO-LJQANCHMSA-N 0 3 372.488 2.464 20 30 FEEDHN CC(C)[C@@H](CO)[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000451597717 560316681 /nfs/dbraw/zinc/31/66/81/560316681.db2.gz NBBHKEBCWHDIPL-QZTJIDSGSA-N 0 3 352.500 2.211 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)Cc1cc(Br)cs1 ZINC000451606180 560317098 /nfs/dbraw/zinc/31/70/98/560317098.db2.gz MEFRQBHPPBRKAH-OLZOCXBDSA-N 0 3 359.289 2.402 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H]1CCC[C@H]1OC ZINC000451625020 560317938 /nfs/dbraw/zinc/31/79/38/560317938.db2.gz SYZFGOFRBJAXTC-IAGOWNOFSA-N 0 3 362.474 2.109 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000452020153 560345905 /nfs/dbraw/zinc/34/59/05/560345905.db2.gz STQJEYXBLUQRID-UHFFFAOYSA-N 0 3 358.552 2.299 20 30 FEEDHN CN(CC(=O)NCc1cccc(C#N)c1)C1CCN(CC(F)(F)F)CC1 ZINC000452042102 560347252 /nfs/dbraw/zinc/34/72/52/560347252.db2.gz SZMMSGKERLGEBU-UHFFFAOYSA-N 0 3 368.403 2.133 20 30 FEEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 ZINC000453640918 560392633 /nfs/dbraw/zinc/39/26/33/560392633.db2.gz HKGGWBIKWFZPQP-INIZCTEOSA-N 0 3 372.469 2.130 20 30 FEEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1 ZINC000453653722 560393711 /nfs/dbraw/zinc/39/37/11/560393711.db2.gz HKHZAFLXZTVVRK-QGZVFWFLSA-N 0 3 354.454 2.186 20 30 FEEDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(C)n2)C1 ZINC000453678160 560396009 /nfs/dbraw/zinc/39/60/09/560396009.db2.gz RSCOVUQLJBTSAN-OAHLLOKOSA-N 0 3 371.485 2.217 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCN1C ZINC000453713420 560398997 /nfs/dbraw/zinc/39/89/97/560398997.db2.gz IFBARBBEZMUTEX-TZMCWYRMSA-N 0 3 362.861 2.286 20 30 FEEDHN CN1CCC2(CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453729689 560400143 /nfs/dbraw/zinc/40/01/43/560400143.db2.gz ZYFHCRKCDAPZIB-UHFFFAOYSA-N 0 3 374.872 2.431 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)NCCN2CCCC2(C)C)cc1C#N ZINC000454064969 560426039 /nfs/dbraw/zinc/42/60/39/560426039.db2.gz DUWOLWQQCFGLEC-UHFFFAOYSA-N 0 3 372.469 2.275 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000454479943 560446135 /nfs/dbraw/zinc/44/61/35/560446135.db2.gz GANNELAELUIKRN-MOPGFXCFSA-N 0 3 359.470 2.304 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NC[C@H]2CCCN2CCCO)cc1C#N ZINC000454999138 560466795 /nfs/dbraw/zinc/46/67/95/560466795.db2.gz NTYZWEXVBNPARB-QGZVFWFLSA-N 0 3 360.458 2.314 20 30 FEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455748330 560493718 /nfs/dbraw/zinc/49/37/18/560493718.db2.gz AAQCGEBZOJWQAO-ZDUSSCGKSA-N 0 3 351.838 2.181 20 30 FEEDHN C=CCC[C@@H](CO)NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000456767282 560532414 /nfs/dbraw/zinc/53/24/14/560532414.db2.gz MOASYKKEUJFKPK-KRWDZBQOSA-N 0 3 356.470 2.169 20 30 FEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000457467925 560568585 /nfs/dbraw/zinc/56/85/85/560568585.db2.gz WZFLLJCHCGVHML-NHCUHLMSSA-N 0 3 371.525 2.422 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000459026862 560662480 /nfs/dbraw/zinc/66/24/80/560662480.db2.gz MOYJMPPKAGMPLW-QRVBRYPASA-N 0 3 358.486 2.421 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460563388 560746408 /nfs/dbraw/zinc/74/64/08/560746408.db2.gz VHAGOEHYQDQKCW-ULQDDVLXSA-N 0 3 365.522 2.497 20 30 FEEDHN C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000460796501 560752109 /nfs/dbraw/zinc/75/21/09/560752109.db2.gz VJOFLECZLJSORZ-GOSISDBHSA-N 0 3 370.501 2.330 20 30 FEEDHN Cc1nsc(N2CCN(C(=O)[C@H](C)N3[C@H](C)CC[C@H]3C)CC2)c1C#N ZINC000461202324 560763851 /nfs/dbraw/zinc/76/38/51/560763851.db2.gz ZMJSMXDPLCJHAQ-NFAWXSAZSA-N 0 3 361.515 2.233 20 30 FEEDHN N#C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000461785884 560783353 /nfs/dbraw/zinc/78/33/53/560783353.db2.gz DDIXIBAOQDZHOI-FUHWJXTLSA-N 0 3 354.454 2.419 20 30 FEEDHN C[C@@H](C(=O)N1CCC(CN2CCN(C)CC2)CC1)c1cccc(C#N)c1 ZINC000462153315 560799590 /nfs/dbraw/zinc/79/95/90/560799590.db2.gz WZTHSGMBDQSZBS-QGZVFWFLSA-N 0 3 354.498 2.148 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2nccnc2NC(=O)C(C)(C)C)CC1 ZINC000463797049 560824906 /nfs/dbraw/zinc/82/49/06/560824906.db2.gz PBZNDWSBHJIWBF-UHFFFAOYSA-N 0 3 359.474 2.232 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000466761540 560894817 /nfs/dbraw/zinc/89/48/17/560894817.db2.gz DFTFNROLNIUTIJ-KBXCAEBGSA-N 0 3 371.460 2.012 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](C(=O)OC)[C@H]2C)c(OC)c1 ZINC000470003324 560971603 /nfs/dbraw/zinc/97/16/03/560971603.db2.gz QDWLDBROGJTMDG-DJIMGWMZSA-N 0 3 363.454 2.047 20 30 FEEDHN CC(C#N)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000470374224 560979950 /nfs/dbraw/zinc/97/99/50/560979950.db2.gz IFIFHPPCGHCYKF-NSHDSACASA-N 0 3 370.236 2.203 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(C)CC[C@@H]3C)C2)n1 ZINC000471953475 561014896 /nfs/dbraw/zinc/01/48/96/561014896.db2.gz QLEADHPNSNRUTK-FUHWJXTLSA-N 0 3 355.486 2.031 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)Nc2c[nH]cc(Br)c2=O)cc1 ZINC000472443225 561026500 /nfs/dbraw/zinc/02/65/00/561026500.db2.gz SBQPFKJTJRYXES-GFCCVEGCSA-N 0 3 371.194 2.330 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1OC ZINC000528921099 562352926 /nfs/dbraw/zinc/35/29/26/562352926.db2.gz SNMMTMVTIIYLPF-ZBRGCBALSA-N 0 3 360.410 2.411 20 30 FEEDHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000532043193 562464911 /nfs/dbraw/zinc/46/49/11/562464911.db2.gz CTFSGKRQDASPLF-UHFFFAOYSA-N 0 3 362.861 2.483 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)C3(C#N)CC(C)C3)cc2)CC1 ZINC000532065019 562465777 /nfs/dbraw/zinc/46/57/77/562465777.db2.gz QJADGEOKOUYNHT-UHFFFAOYSA-N 0 3 354.498 2.380 20 30 FEEDHN CN(C)CCn1cc(NC(=O)CSCc2ccc(C#N)cc2)ccc1=O ZINC000535226891 562553498 /nfs/dbraw/zinc/55/34/98/562553498.db2.gz QUULJPSUDDFPII-UHFFFAOYSA-N 0 3 370.478 2.153 20 30 FEEDHN Cn1ncc(Br)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000601746486 567834202 /nfs/dbraw/zinc/83/42/02/567834202.db2.gz QRRCZAHRXZDYIZ-ZDUSSCGKSA-N 0 3 372.226 2.053 20 30 FEEDHN CCOC(=O)[C@@]1(CNC(=O)C(C#N)CCc2ccccc2)CCCOC1 ZINC000601870276 567868587 /nfs/dbraw/zinc/86/85/87/567868587.db2.gz OFIBAWLOGNOEDJ-FXAWDEMLSA-N 0 3 358.438 2.235 20 30 FEEDHN N#CC1(C[C@@H](O)CN2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000602886099 568005776 /nfs/dbraw/zinc/00/57/76/568005776.db2.gz JCAZKSRLLRWFRA-KGLIPLIRSA-N 0 3 366.259 2.352 20 30 FEEDHN CN(C)C(=O)c1ccc(OC2CCN(CCCSCC#N)CC2)nc1 ZINC000602887976 568006335 /nfs/dbraw/zinc/00/63/35/568006335.db2.gz AFCWMTKRJUYDSE-UHFFFAOYSA-N 0 3 362.499 2.273 20 30 FEEDHN CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(CC3(CC#N)CC3)CC2)C1 ZINC000602866855 568008400 /nfs/dbraw/zinc/00/84/00/568008400.db2.gz SKAWMZRXVKKYLX-OAHLLOKOSA-N 0 3 361.486 2.335 20 30 FEEDHN N#CCCN(C(=O)CN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccccc1 ZINC000602894580 568013799 /nfs/dbraw/zinc/01/37/99/568013799.db2.gz XXQGLQXGEQSDLE-ICSRJNTNSA-N 0 3 371.481 2.233 20 30 FEEDHN CC(C)CN1CCC[C@H](CNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000570955799 568254167 /nfs/dbraw/zinc/25/41/67/568254167.db2.gz HWQMXJXFDBQOTF-GOSISDBHSA-N 0 3 363.527 2.290 20 30 FEEDHN C[C@@H]1CN(C2CCC2)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000570826124 568544595 /nfs/dbraw/zinc/54/45/95/568544595.db2.gz QIZURECINASPGN-UZLBHIALSA-N 0 3 352.482 2.470 20 30 FEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000557852309 674471018 /nfs/dbraw/zinc/47/10/18/674471018.db2.gz DEYDXYLFUZJBNY-DYVFJYSZSA-N 0 3 351.447 2.086 20 30 FEEDHN N#CC(C(=O)C[C@@H]1CCCC(=O)N1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000808980124 674476802 /nfs/dbraw/zinc/47/68/02/674476802.db2.gz UJRGWSXVZCBNNF-ONGXEEELSA-N 0 3 351.765 2.185 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824584625 608463966 /nfs/dbraw/zinc/46/39/66/608463966.db2.gz CUAZITSSBLNBLC-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824584625 608463968 /nfs/dbraw/zinc/46/39/68/608463968.db2.gz CUAZITSSBLNBLC-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN CCN1CCN(CCNC(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000559795367 674556067 /nfs/dbraw/zinc/55/60/67/674556067.db2.gz KXUHRTBZSQFCQW-UHFFFAOYSA-N 0 3 356.495 2.449 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(F)c1 ZINC000815904931 674983484 /nfs/dbraw/zinc/98/34/84/674983484.db2.gz UBMMBJZTUJDMMR-GFCCVEGCSA-N 0 3 356.781 2.110 20 30 FEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000050685804 670287429 /nfs/dbraw/zinc/28/74/29/670287429.db2.gz ISTAXSVHKSZZFK-CQSZACIVSA-N 0 3 359.392 2.418 20 30 FEEDHN N#CC(C(=O)CCc1nnc(-c2ccsc2)o1)C(=O)NC1CCCC1 ZINC000051653705 670302226 /nfs/dbraw/zinc/30/22/26/670302226.db2.gz BYGMANOROYGDBR-CYBMUJFWSA-N 0 3 358.423 2.498 20 30 FEEDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000565530548 675129715 /nfs/dbraw/zinc/12/97/15/675129715.db2.gz VEDIRVNXCTWQLT-CYBMUJFWSA-N 0 3 372.288 2.035 20 30 FEEDHN N#CCC[C@H](C#N)CNCCCNS(=O)(=O)c1ccccc1Cl ZINC000570954775 670792812 /nfs/dbraw/zinc/79/28/12/670792812.db2.gz PFUMYRAUKWKXLA-CYBMUJFWSA-N 0 3 354.863 2.042 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc2nncn2c1 ZINC000113653327 670886877 /nfs/dbraw/zinc/88/68/77/670886877.db2.gz OJAZHAMTNBBWHC-LLVKDONJSA-N 0 3 357.732 2.483 20 30 FEEDHN CN(Cc1cccc(NC(=O)[C@H](N)CCCC#N)c1)C(=O)C(F)(F)F ZINC000818075672 675194525 /nfs/dbraw/zinc/19/45/25/675194525.db2.gz ZEPWIUPWLTUUCW-CYBMUJFWSA-N 0 3 356.348 2.167 20 30 FEEDHN COC1CCN(C2(CNS(=O)(=O)CCCCC#N)CCCC2)CC1 ZINC000609465324 675922909 /nfs/dbraw/zinc/92/29/09/675922909.db2.gz FJSFBARKQGMHAU-UHFFFAOYSA-N 0 3 357.520 2.023 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H](CO)C2CCCCC2)cc1 ZINC000579122401 671713881 /nfs/dbraw/zinc/71/38/81/671713881.db2.gz CQWYZRHSDMGRSR-QGZVFWFLSA-N 0 3 350.484 2.110 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)Cc1nc(-c2cccs2)oc1C ZINC000125147293 672007525 /nfs/dbraw/zinc/00/75/25/672007525.db2.gz VASWTMVSHUSMGR-LBPRGKRZSA-N 0 3 361.423 2.116 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000125174533 672008211 /nfs/dbraw/zinc/00/82/11/672008211.db2.gz ALOSVPRKLHOFAC-STQMWFEESA-N 0 3 352.818 2.277 20 30 FEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000138879500 672145069 /nfs/dbraw/zinc/14/50/69/672145069.db2.gz QOJYSZQHVDYNGR-GFCCVEGCSA-N 0 3 354.332 2.003 20 30 FEEDHN C#CCN1CCC(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000176978047 672378604 /nfs/dbraw/zinc/37/86/04/672378604.db2.gz YNPDDLTWJIPHIQ-UHFFFAOYSA-N 0 3 359.436 2.112 20 30 FEEDHN O=C(NCCNCc1cnc(-c2cccs2)s1)C1N=CC=CC1=O ZINC000177580299 672383749 /nfs/dbraw/zinc/38/37/49/672383749.db2.gz JPYQIFMMPXPRSB-PFONDFGASA-N 0 3 360.464 2.488 20 30 FEEDHN O=C(NCCNCc1ccc(Br)c(F)c1)C1N=CC=CC1=O ZINC000178384763 672391272 /nfs/dbraw/zinc/39/12/72/672391272.db2.gz LOBFJMPXVRWEPO-PFONDFGASA-N 0 3 368.206 2.204 20 30 FEEDHN N#Cc1cc(Br)ccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000588200421 672457037 /nfs/dbraw/zinc/45/70/37/672457037.db2.gz RTKQRNGGKFZNIP-IAGOWNOFSA-N 0 3 364.287 2.352 20 30 FEEDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)[C@@H]2C1 ZINC000590278484 672569497 /nfs/dbraw/zinc/56/94/97/672569497.db2.gz LGEHGXVICQYBSZ-BXUZGUMPSA-N 0 3 360.483 2.018 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)c1ccsc1 ZINC000591911882 672720320 /nfs/dbraw/zinc/72/03/20/672720320.db2.gz JJBRXGLCNFWWTF-WBVHZDCISA-N 0 3 350.488 2.191 20 30 FEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000193611063 672730892 /nfs/dbraw/zinc/73/08/92/672730892.db2.gz CZNXJIUGXXOFDU-OCCSQVGLSA-N 0 3 359.392 2.418 20 30 FEEDHN CSc1ccc([C@@H](CNC(=O)N2CC[C@](O)(CC#N)C2)N(C)C)cc1 ZINC000592026536 672735865 /nfs/dbraw/zinc/73/58/65/672735865.db2.gz AWOZIJNOPKIAIR-SJLPKXTDSA-N 0 3 362.499 2.071 20 30 FEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000195281291 672780704 /nfs/dbraw/zinc/78/07/04/672780704.db2.gz AETVYTPOQAWRCU-NWDGAFQWSA-N 0 3 354.332 2.003 20 30 FEEDHN COCCN1CCC[C@@H]1CNC(=O)N1CCOc2cccc(F)c2C1 ZINC000328739803 673066015 /nfs/dbraw/zinc/06/60/15/673066015.db2.gz MUSBVVGWEDBWCT-CQSZACIVSA-N 0 3 351.422 2.045 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000594431941 673071490 /nfs/dbraw/zinc/07/14/90/673071490.db2.gz SWOZSYTYZZLKAP-YPMHNXCESA-N 0 3 374.268 2.261 20 30 FEEDHN CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)n1 ZINC000594456561 673074851 /nfs/dbraw/zinc/07/48/51/673074851.db2.gz QLINNNMSLZLVQW-TZMCWYRMSA-N 0 3 364.471 2.395 20 30 FEEDHN CCN1CC[C@H]2OCCN(C(=O)CNC(=O)CC3CCCCC3)[C@H]2C1 ZINC000329575919 673079352 /nfs/dbraw/zinc/07/93/52/673079352.db2.gz VRFCJYGZROHVMP-DLBZAZTESA-N 0 3 351.491 2.235 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@@H](c2ccsc2)N(CC)CC)C1=O ZINC000348494424 673115721 /nfs/dbraw/zinc/11/57/21/673115721.db2.gz DKWACMQLPQYRLE-GJZGRUSLSA-N 0 3 351.472 2.254 20 30 FEEDHN CN1CCC(NC(=S)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000729165567 673226719 /nfs/dbraw/zinc/22/67/19/673226719.db2.gz XFFDWDMCWRVBEU-UHFFFAOYSA-N 0 3 358.511 2.370 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)c2cc(F)c(C#N)c(F)c2)C[C@@H](C)O1 ZINC000597361982 673471657 /nfs/dbraw/zinc/47/16/57/673471657.db2.gz VYJGZYKUPDYRSX-CHWSQXEVSA-N 0 3 351.397 2.456 20 30 FEEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599308842 673656591 /nfs/dbraw/zinc/65/65/91/673656591.db2.gz YBLWIZNHNUVWND-XVNUGVHUSA-N 0 3 364.511 2.488 20 30 FEEDHN C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc([S@@](C)=O)cc1 ZINC000599353165 673662676 /nfs/dbraw/zinc/66/26/76/673662676.db2.gz GAAHKBFLNJRJOQ-PHDITVQNSA-N 0 3 358.463 2.386 20 30 FEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000600732798 673795172 /nfs/dbraw/zinc/79/51/72/673795172.db2.gz UZWXNVKBUBWXNX-IUODEOHRSA-N 0 3 351.809 2.229 20 30 FEEDHN Cn1c(CNC[C@H](O)CC2(C#N)CCOCC2)nc2cc(Cl)ccc21 ZINC000600733374 673795217 /nfs/dbraw/zinc/79/52/17/673795217.db2.gz IYISOHNNLLVZMU-CQSZACIVSA-N 0 3 362.861 2.388 20 30 FEEDHN CN(C)C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000600754795 673796697 /nfs/dbraw/zinc/79/66/97/673796697.db2.gz IICPGSFISZOFAK-WMLDXEAASA-N 0 3 373.328 2.392 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)c(C)cc1OC ZINC000818593136 675226713 /nfs/dbraw/zinc/22/67/13/675226713.db2.gz NHUMOYDAKGSZRJ-UHFFFAOYSA-N 0 3 353.260 2.451 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000818593252 675226857 /nfs/dbraw/zinc/22/68/57/675226857.db2.gz RQHGYJJBRDVVSZ-UHFFFAOYSA-N 0 3 359.214 2.341 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000818606072 675228171 /nfs/dbraw/zinc/22/81/71/675228171.db2.gz CAHPRVOOPGIPPP-UHFFFAOYSA-N 0 3 369.259 2.151 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000818608984 675228559 /nfs/dbraw/zinc/22/85/59/675228559.db2.gz CRRRTNHUSWZWLB-UHFFFAOYSA-N 0 3 363.259 2.090 20 30 FEEDHN C#CCNC(=O)CCN[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000819257958 675274692 /nfs/dbraw/zinc/27/46/92/675274692.db2.gz GGPIOCSOJYYCLA-AWEZNQCLSA-N 0 3 368.264 2.218 20 30 FEEDHN C#C[C@@H](NC(=O)N(CCOC)CCN(C)C)c1ccc(Cl)cc1F ZINC000820737456 675383735 /nfs/dbraw/zinc/38/37/35/675383735.db2.gz DCBFXKIYSURORX-MRXNPFEDSA-N 0 3 355.841 2.373 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)Cc3ccc(CC#N)cc3)C2)CC1 ZINC000827543628 675763630 /nfs/dbraw/zinc/76/36/30/675763630.db2.gz HDZMDJUDPQROHS-UHFFFAOYSA-N 0 3 361.511 2.390 20 30 FEEDHN COCCN1CCC(NC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619759341 676393668 /nfs/dbraw/zinc/39/36/68/676393668.db2.gz DPJWOVUNZMRSGW-UHFFFAOYSA-N 0 3 350.850 2.122 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)N(C)C ZINC000643070452 677223130 /nfs/dbraw/zinc/22/31/30/677223130.db2.gz HJXIBIZYVJERGC-CQSZACIVSA-N 0 3 355.463 2.153 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000838621859 680706557 /nfs/dbraw/zinc/70/65/57/680706557.db2.gz GUHMPHWOPLGQOF-LJQANCHMSA-N 0 3 363.889 2.296 20 30 FEEDHN C#CCOc1ccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000832328642 680123752 /nfs/dbraw/zinc/12/37/52/680123752.db2.gz RXTVPGIHZXSFNQ-UHFFFAOYSA-N 0 3 358.463 2.239 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001021941233 680186076 /nfs/dbraw/zinc/18/60/76/680186076.db2.gz JGCDONVJJBKBBC-GOEBONIOSA-N 0 3 367.921 2.309 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)Cc1scnc1-c1ccccc1 ZINC000835056313 680291773 /nfs/dbraw/zinc/29/17/73/680291773.db2.gz DRSHHQKUENWQJI-AWEZNQCLSA-N 0 3 357.435 2.214 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@@H]1CSc2ccccc2O1 ZINC000835058170 680292312 /nfs/dbraw/zinc/29/23/12/680292312.db2.gz KKARVSSZBVLMMA-ZIAGYGMSSA-N 0 3 362.451 2.181 20 30 FEEDHN N#CC(C(=O)COCC1CCCC1)C(=O)NCc1ccc(F)c(F)c1 ZINC000835338975 680321239 /nfs/dbraw/zinc/32/12/39/680321239.db2.gz CXUAXKCCRKWKIL-CQSZACIVSA-N 0 3 350.365 2.497 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2COc3ccccc3C2)c1 ZINC000753910037 680323893 /nfs/dbraw/zinc/32/38/93/680323893.db2.gz CTWUANOMIJHBKN-INIZCTEOSA-N 0 3 356.447 2.173 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)CCn2cc(Cl)cn2)C1 ZINC001027586289 680360720 /nfs/dbraw/zinc/36/07/20/680360720.db2.gz ZESGREVWULHXSY-ZACQAIPSSA-N 0 3 366.893 2.050 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000836441198 680469990 /nfs/dbraw/zinc/46/99/90/680469990.db2.gz ZMSYAHHZBYGQJA-CABCVRRESA-N 0 3 351.397 2.398 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000836489259 680476330 /nfs/dbraw/zinc/47/63/30/680476330.db2.gz WMQOFKIHPHPMQM-OAHLLOKOSA-N 0 3 358.269 2.281 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000836489422 680476349 /nfs/dbraw/zinc/47/63/49/680476349.db2.gz ZTIBJGZIVQFHMY-UHFFFAOYSA-N 0 3 364.877 2.313 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=S)NC[C@@H]1CCCCO1 ZINC000758192394 680560847 /nfs/dbraw/zinc/56/08/47/680560847.db2.gz ONHAWFCNKXLPHF-SFHVURJKSA-N 0 3 360.527 2.365 20 30 FEEDHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2nc(Cl)c(C#N)s2)C1)N(C)C ZINC001043262424 680570336 /nfs/dbraw/zinc/57/03/36/680570336.db2.gz PRYBWTBYLWKOOU-MXWKQRLJSA-N 0 3 355.895 2.267 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cc(OC)ns1 ZINC001045043542 680619995 /nfs/dbraw/zinc/61/99/95/680619995.db2.gz KAUDMOKHJFASJY-IMJJTQAJSA-N 0 3 365.499 2.214 20 30 FEEDHN CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000843433174 681003835 /nfs/dbraw/zinc/00/38/35/681003835.db2.gz VKIWXKRNWXBQQR-WBMJQRKESA-N 0 3 355.360 2.478 20 30 FEEDHN Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3CCCN3C(C)C)[C@H]2C)c1C#N ZINC001050620712 681051985 /nfs/dbraw/zinc/05/19/85/681051985.db2.gz CXOLQTYSJUXIDU-KBMXLJTQSA-N 0 3 361.515 2.279 20 30 FEEDHN N#Cc1ccc(CNC[C@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)CCO2)s1 ZINC001051862952 681070585 /nfs/dbraw/zinc/07/05/85/681070585.db2.gz HDUVSSAROWWTFZ-JCGIZDLHSA-N 0 3 359.495 2.373 20 30 FEEDHN N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000772957471 681119963 /nfs/dbraw/zinc/11/99/63/681119963.db2.gz CIVPJVXMBNQXKD-SUMWQHHRSA-N 0 3 363.458 2.335 20 30 FEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000845442665 681128053 /nfs/dbraw/zinc/12/80/53/681128053.db2.gz OHPGMZXKQWLYTP-YPMHNXCESA-N 0 3 363.211 2.303 20 30 FEEDHN CCn1ccc(CC(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)n1 ZINC000845443916 681128265 /nfs/dbraw/zinc/12/82/65/681128265.db2.gz WQGRTKDHMLKHLV-CYBMUJFWSA-N 0 3 360.801 2.455 20 30 FEEDHN CN(Cc1cccc(NS(C)(=O)=O)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008007 681172703 /nfs/dbraw/zinc/17/27/03/681172703.db2.gz SEDSEQDVUOKTKY-GOSISDBHSA-N 0 3 359.451 2.095 20 30 FEEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000776181415 681370314 /nfs/dbraw/zinc/37/03/14/681370314.db2.gz WFFPKBYDQGGGKS-UHFFFAOYSA-N 0 3 359.455 2.034 20 30 FEEDHN CN(C)c1ccncc1CN=Nc1nc(Br)cn2ccnc12 ZINC000776187599 681370786 /nfs/dbraw/zinc/37/07/86/681370786.db2.gz JQLFSYOHSSAMEM-UHFFFAOYSA-N 0 3 360.219 2.399 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)NC1CC1)c1ccccc1Br ZINC000847623556 681407276 /nfs/dbraw/zinc/40/72/76/681407276.db2.gz ASVNGUSIFBUDNH-RISCZKNCSA-N 0 3 351.200 2.124 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN[C@H]1c2ccccc2OC[C@H]1CO ZINC000934218146 681527140 /nfs/dbraw/zinc/52/71/40/681527140.db2.gz GNTBTRVZNOASLP-CXAGYDPISA-N 0 3 357.435 2.280 20 30 FEEDHN CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](N(C)C)CC2)c1 ZINC000935649843 681792392 /nfs/dbraw/zinc/79/23/92/681792392.db2.gz UWHQGJUDKMENSB-QGZVFWFLSA-N 0 3 362.495 2.040 20 30 FEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cncc(Br)c1 ZINC000850444845 681902979 /nfs/dbraw/zinc/90/29/79/681902979.db2.gz ZWHGNBRTQGWHAH-ZEIZSXSISA-N 0 3 365.231 2.021 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(CCc2ccns2)CC1(C)C ZINC000941046834 682097861 /nfs/dbraw/zinc/09/78/61/682097861.db2.gz NBOSCLJBDKRPFS-IXDOHACOSA-N 0 3 363.527 2.493 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)CSc1nccn1-c1ccccc1C ZINC000916921988 685528595 /nfs/dbraw/zinc/52/85/95/685528595.db2.gz ZHCZUDLQMYLPFR-AWEZNQCLSA-N 0 3 354.435 2.284 20 30 FEEDHN N#CC(C(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccn1 ZINC000917509429 685532637 /nfs/dbraw/zinc/53/26/37/685532637.db2.gz SZERBPODBYPFAQ-CYBMUJFWSA-N 0 3 356.363 2.429 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852359121 682266265 /nfs/dbraw/zinc/26/62/65/682266265.db2.gz CRRVBILBGXVYCH-AWEZNQCLSA-N 0 3 358.269 2.281 20 30 FEEDHN COC[C@H](C#N)OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000785227098 682281262 /nfs/dbraw/zinc/28/12/62/682281262.db2.gz ADWHJUXJMJBECP-WDEREUQCSA-N 0 3 357.193 2.428 20 30 FEEDHN COC[C@@H](C#N)OC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000785225671 682281266 /nfs/dbraw/zinc/28/12/66/682281266.db2.gz QQWIANKTOBAZPC-GHMZBOCLSA-N 0 3 357.193 2.428 20 30 FEEDHN CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCN(C)C1 ZINC000855360510 682661598 /nfs/dbraw/zinc/66/15/98/682661598.db2.gz GMVAFXFOPCDWAI-LSDHHAIUSA-N 0 3 352.479 2.126 20 30 FEEDHN C[C@H]1c2nncn2CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000792378752 682807681 /nfs/dbraw/zinc/80/76/81/682807681.db2.gz CMLZXOMNMFHOLX-NWDGAFQWSA-N 0 3 352.423 2.141 20 30 FEEDHN C#CC[C@@H](COC)NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000858334881 682958556 /nfs/dbraw/zinc/95/85/56/682958556.db2.gz HLNCDXBKOYGCAT-KRWDZBQOSA-N 0 3 366.889 2.179 20 30 FEEDHN C#CCN(C(=O)NCc1nc(C(F)(F)F)cs1)C1CCN(C)CC1 ZINC000919900200 683306007 /nfs/dbraw/zinc/30/60/07/683306007.db2.gz CTTWSMDZDLYESD-UHFFFAOYSA-N 0 3 360.405 2.401 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)c3cccc(F)c3C#N)C2)CC1 ZINC000798466385 683353510 /nfs/dbraw/zinc/35/35/10/683353510.db2.gz LYARBIIDHIQVFD-UHFFFAOYSA-N 0 3 351.447 2.194 20 30 FEEDHN C=CCN1CC[C@H](N(C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956994 683408512 /nfs/dbraw/zinc/40/85/12/683408512.db2.gz TXCXHWYLFOSWIP-KXBFYZLASA-N 0 3 351.491 2.352 20 30 FEEDHN CCS(=O)(=O)N(C)CCCNCc1cc(C#N)ccc1Br ZINC000921533870 683495002 /nfs/dbraw/zinc/49/50/02/683495002.db2.gz YGSXCEQBBNTQKG-UHFFFAOYSA-N 0 3 374.304 2.082 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CNCCNS(=O)(=O)Cc1ccccc1 ZINC000921577378 683507200 /nfs/dbraw/zinc/50/72/00/683507200.db2.gz DSSYAETWAQFKAM-UHFFFAOYSA-N 0 3 357.479 2.384 20 30 FEEDHN C#CCN(C(=O)N[C@H](C)[C@H]1OCCc2sccc21)C1CCN(C)CC1 ZINC000922596536 683751489 /nfs/dbraw/zinc/75/14/89/683751489.db2.gz KGQNRZYRFSSCEN-RDTXWAMCSA-N 0 3 361.511 2.489 20 30 FEEDHN C#CCN(C(=O)N[C@@H](C)[C@H]1OCCc2sccc21)C1CCN(C)CC1 ZINC000922596533 683751556 /nfs/dbraw/zinc/75/15/56/683751556.db2.gz KGQNRZYRFSSCEN-KBXCAEBGSA-N 0 3 361.511 2.489 20 30 FEEDHN CN(CCN1CC2(C1)CCOCC2)c1nc2cc(Cl)ccn2c1C#N ZINC000866258214 684086889 /nfs/dbraw/zinc/08/68/89/684086889.db2.gz RRHYDUIKCMHYGJ-UHFFFAOYSA-N 0 3 359.861 2.408 20 30 FEEDHN C=C(Cl)C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(=O)OCC ZINC000870031355 684677570 /nfs/dbraw/zinc/67/75/70/684677570.db2.gz OFBMDLINMBAQRU-HNNXBMFYSA-N 0 3 372.893 2.212 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000875623972 686051475 /nfs/dbraw/zinc/05/14/75/686051475.db2.gz YTMNCFREHKZIMC-INIZCTEOSA-N 0 3 355.841 2.157 20 30 FEEDHN C#CCCCCCCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000876552874 686218739 /nfs/dbraw/zinc/21/87/39/686218739.db2.gz ZNUOCFIIDXERPY-UHFFFAOYSA-N 0 3 358.511 2.457 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000876607821 686227786 /nfs/dbraw/zinc/22/77/86/686227786.db2.gz QRTKGDDAEYMQSS-HUUCEWRRSA-N 0 3 354.834 2.276 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000876619678 686229953 /nfs/dbraw/zinc/22/99/53/686229953.db2.gz BNCGGJQYWRZKLH-AAEUAGOBSA-N 0 3 366.767 2.031 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000876631995 686233382 /nfs/dbraw/zinc/23/33/82/686233382.db2.gz PCKWMDOGQWAJFB-UONOGXRCSA-N 0 3 354.813 2.018 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCCOc1cc(OC)cc(OC)c1 ZINC000876705152 686248396 /nfs/dbraw/zinc/24/83/96/686248396.db2.gz WVWRWMBKRVCCNF-MRXNPFEDSA-N 0 3 356.850 2.401 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000876728453 686255067 /nfs/dbraw/zinc/25/50/67/686255067.db2.gz MHRFCXMVJBMNRM-DGCLKSJQSA-N 0 3 371.268 2.382 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000876873943 686285289 /nfs/dbraw/zinc/28/52/89/686285289.db2.gz VVJUHKZSQYPPIE-KRWDZBQOSA-N 0 3 351.878 2.199 20 30 FEEDHN C#CC[C@H](CO)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000879847434 686926096 /nfs/dbraw/zinc/92/60/96/686926096.db2.gz ZDUANSJCHZQBAI-CQSZACIVSA-N 0 3 365.861 2.319 20 30 FEEDHN C#CCC1(O)CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000880481984 687052750 /nfs/dbraw/zinc/05/27/50/687052750.db2.gz UAJJKSYXAHCOEC-UHFFFAOYSA-N 0 3 357.479 2.287 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]3CCNC(=O)[C@@H]32)cc1Cl ZINC000880527861 687057971 /nfs/dbraw/zinc/05/79/71/687057971.db2.gz VTEWVTPACXFMQJ-SJKOYZFVSA-N 0 3 360.845 2.141 20 30 FEEDHN CSc1cc2c(cc1NC(=O)C1CC3(C1)CNC[C@H]3C#N)OCCO2 ZINC000884116706 687793089 /nfs/dbraw/zinc/79/30/89/687793089.db2.gz DAFLXBOYYSXABE-BJCXPLBRSA-N 0 3 359.451 2.258 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCOc1ncc(Cl)cc1Cl)C2 ZINC000884233321 687825837 /nfs/dbraw/zinc/82/58/37/687825837.db2.gz NZLRGJXFOQVJQG-NOEPWBJOSA-N 0 3 369.252 2.023 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@@H](Oc3ccccc3Cl)C1)C2 ZINC000884323797 687848430 /nfs/dbraw/zinc/84/84/30/687848430.db2.gz YSIYSPASQKOGPW-YYHKSVKZSA-N 0 3 359.857 2.459 20 30 FEEDHN C#CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC000886582101 688279328 /nfs/dbraw/zinc/27/93/28/688279328.db2.gz GNMAKBGLJLJBCP-UHFFFAOYSA-N 0 3 351.491 2.190 20 30 FEEDHN N#Cc1cc(Br)cnc1NC[C@H]1CCN1C1CCOCC1 ZINC000896521432 689884809 /nfs/dbraw/zinc/88/48/09/689884809.db2.gz DKISSSBVTYFIFH-CQSZACIVSA-N 0 3 351.248 2.381 20 30 FEEDHN N#Cc1cc(Br)ccc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897221575 689990066 /nfs/dbraw/zinc/99/00/66/689990066.db2.gz NISASRCRIZRKHQ-HZPDHXFCSA-N 0 3 350.260 2.356 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN1CC(Cc2cccc(Br)c2)C1 ZINC000905977323 691204911 /nfs/dbraw/zinc/20/49/11/691204911.db2.gz HFMJLXOQRDZKNF-KRWDZBQOSA-N 0 3 366.303 2.130 20 30 FEEDHN CNC(=O)CN1CCCC12CCN(c1nc(C)c(C#N)cc1Cl)CC2 ZINC001164690059 719755257 /nfs/dbraw/zinc/75/52/57/719755257.db2.gz RPJVIPPTLPTOPC-UHFFFAOYSA-N 0 3 361.877 2.096 20 30 FEEDHN CNC(=O)CN1CCCC12CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164690542 719755821 /nfs/dbraw/zinc/75/58/21/719755821.db2.gz DMBVKJUTPXSTKR-UHFFFAOYSA-N 0 3 367.497 2.013 20 30 FEEDHN Cc1ccc(CC#N)c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164763208 721210760 /nfs/dbraw/zinc/21/07/60/721210760.db2.gz DSLSEUPYYNSKMR-MOPGFXCFSA-N 0 3 350.470 2.148 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCOc1cccc(Br)c1 ZINC000818599574 675227545 /nfs/dbraw/zinc/22/75/45/675227545.db2.gz ZARLBPCTZDUYJS-UHFFFAOYSA-N 0 3 353.260 2.289 20 30 FEEDHN N#Cc1ccccc1OCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000031960397 539925148 /nfs/dbraw/zinc/92/51/48/539925148.db2.gz AKJDXTCSZBFJPE-UHFFFAOYSA-N 0 3 359.495 2.415 20 30 FEEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C1CCCCC1 ZINC000041642388 540028274 /nfs/dbraw/zinc/02/82/74/540028274.db2.gz PWTCHEXAEXWWJZ-SFHVURJKSA-N 0 3 372.469 2.154 20 30 FEEDHN CCN1CCN(Cc2ccc(CNC(=O)N(C)C[C@H](C)C#N)cc2)CC1 ZINC000046121473 540243262 /nfs/dbraw/zinc/24/32/62/540243262.db2.gz WXAFLQJRXBGJDA-QGZVFWFLSA-N 0 3 357.502 2.125 20 30 FEEDHN N#Cc1ccc(NC(=O)CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1Cl ZINC000550502330 674098954 /nfs/dbraw/zinc/09/89/54/674098954.db2.gz HCJFQPDEHOAANR-QZTJIDSGSA-N 0 3 363.845 2.060 20 30 FEEDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076300392 542257132 /nfs/dbraw/zinc/25/71/32/542257132.db2.gz QFVFMXBZCAFHQT-LLVKDONJSA-N 0 3 370.375 2.362 20 30 FEEDHN N#Cc1ccc(N2CCC(NCc3cccc4c3OCCO4)CC2)nc1 ZINC000067010921 541406031 /nfs/dbraw/zinc/40/60/31/541406031.db2.gz OFWLOYXGFHJEAQ-UHFFFAOYSA-N 0 3 350.422 2.483 20 30 FEEDHN CC(=O)NC[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000067414833 541460369 /nfs/dbraw/zinc/46/03/69/541460369.db2.gz OJWXHSXZXJMBAT-AWEZNQCLSA-N 0 3 362.861 2.388 20 30 FEEDHN Cc1cc(NC(=O)CON=C(N)c2ccccc2CN2CCCCC2)no1 ZINC000068956720 541644275 /nfs/dbraw/zinc/64/42/75/541644275.db2.gz UMUMRVKKFPBXHN-UHFFFAOYSA-N 0 3 371.441 2.245 20 30 FEEDHN N#Cc1ccc(NC(=O)CNC2(CO)Cc3ccccc3C2)cc1Cl ZINC000074326715 542070724 /nfs/dbraw/zinc/07/07/24/542070724.db2.gz DOPBPCVKHKAAAL-UHFFFAOYSA-N 0 3 355.825 2.270 20 30 FEEDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CCCCCC1 ZINC000074674042 542111995 /nfs/dbraw/zinc/11/19/95/542111995.db2.gz OOLPLIYTRHWDEP-AZUAARDMSA-N 0 3 354.498 2.487 20 30 FEEDHN CCN1CCN(CCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000075536204 542186357 /nfs/dbraw/zinc/18/63/57/542186357.db2.gz AJARLTZONXQSRU-PMACEKPBSA-N 0 3 354.498 2.312 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(CN2CCOCC2)CC1 ZINC000076682647 542311881 /nfs/dbraw/zinc/31/18/81/542311881.db2.gz ZIEQAGBEHKEIRS-OAQYLSRUSA-N 0 3 374.525 2.199 20 30 FEEDHN C#CCNC(=O)CN[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801951219 674156430 /nfs/dbraw/zinc/15/64/30/674156430.db2.gz SMGYKSBZRVLPRD-FUHWJXTLSA-N 0 3 351.853 2.342 20 30 FEEDHN Cc1nn(-c2ccccc2)c(CN2CCN(C[C@H]3CCOC3)CC2)c1C#N ZINC000091071929 542793161 /nfs/dbraw/zinc/79/31/61/542793161.db2.gz MRIUDMDCQHRAHV-GOSISDBHSA-N 0 3 365.481 2.207 20 30 FEEDHN N#C[C@H]1CN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCO1 ZINC000247438992 549334156 /nfs/dbraw/zinc/33/41/56/549334156.db2.gz ZROTUOPRJMTAOB-RDJZCZTQSA-N 0 3 367.371 2.192 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000247451449 549334594 /nfs/dbraw/zinc/33/45/94/549334594.db2.gz QGTFLOYDWFXLTF-SUMWQHHRSA-N 0 3 368.485 2.092 20 30 FEEDHN Cc1nc(C(=O)N(C)C)ccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000103796066 543117042 /nfs/dbraw/zinc/11/70/42/543117042.db2.gz UOUMLONJIHVEBO-AWEZNQCLSA-N 0 3 361.405 2.469 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000109404202 543324071 /nfs/dbraw/zinc/32/40/71/543324071.db2.gz XUHFTZSNJBVFDZ-MRXNPFEDSA-N 0 3 358.486 2.033 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000109404202 543324074 /nfs/dbraw/zinc/32/40/74/543324074.db2.gz XUHFTZSNJBVFDZ-MRXNPFEDSA-N 0 3 358.486 2.033 20 30 FEEDHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109404078 543324323 /nfs/dbraw/zinc/32/43/23/543324323.db2.gz DYAGJAWWHOUXRX-HZPDHXFCSA-N 0 3 359.449 2.012 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCCN3CC)cc2C1=O ZINC000110998301 543378625 /nfs/dbraw/zinc/37/86/25/543378625.db2.gz YGZYNVMWKQWQPW-OAHLLOKOSA-N 0 3 355.438 2.073 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)C(C)C ZINC000112919770 543468442 /nfs/dbraw/zinc/46/84/42/543468442.db2.gz FKNDPFSYEAVNNV-QGZVFWFLSA-N 0 3 354.454 2.352 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C)C(C)C ZINC000112919886 543468574 /nfs/dbraw/zinc/46/85/74/543468574.db2.gz VPRDOKKFESAITF-GOSISDBHSA-N 0 3 356.470 2.295 20 30 FEEDHN O=C(NCCNCc1ccc(N2CCCCC2)cc1)C1N=CC=CC1=O ZINC000113361082 543484589 /nfs/dbraw/zinc/48/45/89/543484589.db2.gz COMQYKQAUQPXFV-VXPUYCOJSA-N 0 3 354.454 2.293 20 30 FEEDHN N#C[C@@H]1CN(C(=O)NC2CCN(C3CC3)CC2)CCN1Cc1ccccc1 ZINC000114585240 543524553 /nfs/dbraw/zinc/52/45/53/543524553.db2.gz JQAXNKORJHTIMI-HXUWFJFHSA-N 0 3 367.497 2.033 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000118101896 543645858 /nfs/dbraw/zinc/64/58/58/543645858.db2.gz XWOVQZGXXXFAAB-CZUORRHYSA-N 0 3 374.510 2.333 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000118897874 543662039 /nfs/dbraw/zinc/66/20/39/543662039.db2.gz SXPBGNGUNAHRCR-CABCVRRESA-N 0 3 374.510 2.335 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCN(C)C)CCN(C)C ZINC000119961876 543674119 /nfs/dbraw/zinc/67/41/19/543674119.db2.gz KDFDOLWKCLVNIQ-UHFFFAOYSA-N 0 3 361.490 2.303 20 30 FEEDHN CN(C)CCOc1ccccc1CNC(=O)COc1ccccc1C#N ZINC000122723452 543720092 /nfs/dbraw/zinc/72/00/92/543720092.db2.gz WLPVKSYYEZDFKD-UHFFFAOYSA-N 0 3 353.422 2.194 20 30 FEEDHN CCCN1CCC(N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000124464471 543823370 /nfs/dbraw/zinc/82/33/70/543823370.db2.gz IRUMSUUAJHYSGW-UHFFFAOYSA-N 0 3 357.426 2.331 20 30 FEEDHN CN(C)CCOc1ccccc1CNC(=O)CNc1ccc(C#N)cc1 ZINC000124143770 543803430 /nfs/dbraw/zinc/80/34/30/543803430.db2.gz WJNDPQNVINMMSI-UHFFFAOYSA-N 0 3 352.438 2.227 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000124227469 543808523 /nfs/dbraw/zinc/80/85/23/543808523.db2.gz YECUCTAUPRLXFQ-HNNXBMFYSA-N 0 3 374.510 2.431 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)CC1 ZINC000124891117 543849293 /nfs/dbraw/zinc/84/92/93/543849293.db2.gz WZZOCZJXMBFOIJ-NEWSRXKRSA-N 0 3 369.513 2.381 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000125092617 543859672 /nfs/dbraw/zinc/85/96/72/543859672.db2.gz PWLACAFPDAFBQO-INIZCTEOSA-N 0 3 361.486 2.016 20 30 FEEDHN C=CCOc1cc(OC)ccc1C(=O)NC1CCN(CCCOC)CC1 ZINC000127094635 543971879 /nfs/dbraw/zinc/97/18/79/543971879.db2.gz NHISPVRJYVYVOP-UHFFFAOYSA-N 0 3 362.470 2.491 20 30 FEEDHN C#CCOc1cccc(NC(=O)NCc2ccnc(OCCN(C)C)c2)c1 ZINC000129670813 544122647 /nfs/dbraw/zinc/12/26/47/544122647.db2.gz UZINHARRAASSDD-UHFFFAOYSA-N 0 3 368.437 2.356 20 30 FEEDHN C=C(C)Cn1c(SCC(=O)NCCN(C)CC)nnc1-c1ccco1 ZINC000130981795 544172973 /nfs/dbraw/zinc/17/29/73/544172973.db2.gz CXGHPTGXTBRVGM-UHFFFAOYSA-N 0 3 363.487 2.274 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1C#N ZINC000134141377 544295768 /nfs/dbraw/zinc/29/57/68/544295768.db2.gz GDPKRCRVHQNXNF-OAHLLOKOSA-N 0 3 372.469 2.084 20 30 FEEDHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000135877135 544362744 /nfs/dbraw/zinc/36/27/44/544362744.db2.gz GWLDMXUWMMCPEA-UHFFFAOYSA-N 0 3 362.449 2.462 20 30 FEEDHN CN(C(=O)c1ccc(NC(=O)C2(C#N)CCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000151782237 544579021 /nfs/dbraw/zinc/57/90/21/544579021.db2.gz HKGJBSGBCYETGW-QGZVFWFLSA-N 0 3 354.454 2.485 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000152888422 544707299 /nfs/dbraw/zinc/70/72/99/544707299.db2.gz BANWSNUAZPTAGN-IUODEOHRSA-N 0 3 353.875 2.316 20 30 FEEDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCC(=O)Nc1ccccc1C#N)CC2 ZINC000152908013 544709346 /nfs/dbraw/zinc/70/93/46/544709346.db2.gz WTQMJVUCTUUXOZ-QZTJIDSGSA-N 0 3 357.454 2.139 20 30 FEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000154883827 544961265 /nfs/dbraw/zinc/96/12/65/544961265.db2.gz DQDJXNBNRLOQEZ-HNNXBMFYSA-N 0 3 351.454 2.495 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)[C@H](C)CC)nc1C ZINC000155271062 545006600 /nfs/dbraw/zinc/00/66/00/545006600.db2.gz ROVRINNMMPCVMI-SCZZXKLOSA-N 0 3 366.516 2.497 20 30 FEEDHN C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180539558 327689982 /nfs/dbraw/zinc/68/99/82/327689982.db2.gz QRIFWCCPIQUQNR-LIRRHRJNSA-N 0 3 373.478 2.193 20 30 FEEDHN CN1CCN([C@H]2CCCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000187495625 328029806 /nfs/dbraw/zinc/02/98/06/328029806.db2.gz FUKYZWNXWOHCTP-FQEVSTJZSA-N 0 3 366.509 2.218 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000189391216 328145103 /nfs/dbraw/zinc/14/51/03/328145103.db2.gz AWNSKZFIBCDYQQ-QGZVFWFLSA-N 0 3 354.454 2.282 20 30 FEEDHN C[C@@H](CN1CCCCCC1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193310371 328368119 /nfs/dbraw/zinc/36/81/19/328368119.db2.gz DQSKRAKBWYLSFD-HNNXBMFYSA-N 0 3 373.501 2.434 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)N1CCCC1 ZINC000088771107 325300663 /nfs/dbraw/zinc/30/06/63/325300663.db2.gz FXBBXJXBYJHXEO-MRXNPFEDSA-N 0 3 362.861 2.387 20 30 FEEDHN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089943755 325344431 /nfs/dbraw/zinc/34/44/31/325344431.db2.gz HYRLHNBHBFHNLP-CABCVRRESA-N 0 3 368.485 2.302 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116129026 325994470 /nfs/dbraw/zinc/99/44/70/325994470.db2.gz WRZZBZROLGEJIP-QGZVFWFLSA-N 0 3 360.502 2.279 20 30 FEEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000121458303 326340279 /nfs/dbraw/zinc/34/02/79/326340279.db2.gz ZLVWQRYNASMBJH-INIZCTEOSA-N 0 3 372.860 2.187 20 30 FEEDHN N#Cc1cc(S(=O)(=O)NCCCNCc2cccnc2)ccc1Cl ZINC000122944351 326414878 /nfs/dbraw/zinc/41/48/78/326414878.db2.gz UDLYGKOHNSBZJP-UHFFFAOYSA-N 0 3 364.858 2.065 20 30 FEEDHN CC(C)(C)N1CCC(NS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000160946581 326982723 /nfs/dbraw/zinc/98/27/23/326982723.db2.gz MAZMVGIBWVJRNH-UHFFFAOYSA-N 0 3 353.463 2.380 20 30 FEEDHN N#Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)ccc1C(F)(F)F ZINC000166367299 327081941 /nfs/dbraw/zinc/08/19/41/327081941.db2.gz PQPNDJRRJLWSGN-UHFFFAOYSA-N 0 3 366.387 2.321 20 30 FEEDHN CC[NH+]1CCC(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000174113290 327306960 /nfs/dbraw/zinc/30/69/60/327306960.db2.gz SZPKDPKAFJDDKM-UHFFFAOYSA-N 0 3 358.486 2.034 20 30 FEEDHN CCN(C)CCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000264950279 329077644 /nfs/dbraw/zinc/07/76/44/329077644.db2.gz XXSHBJFINJJNRP-UHFFFAOYSA-N 0 3 371.441 2.091 20 30 FEEDHN CCOC(=O)[C@H](CCOC)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000367195290 330228621 /nfs/dbraw/zinc/22/86/21/330228621.db2.gz MHMDBDBLKXBJSC-IBGZPJMESA-N 0 3 359.470 2.080 20 30 FEEDHN C#CCCCS(=O)(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000805004041 674311779 /nfs/dbraw/zinc/31/17/79/674311779.db2.gz XVTBXPNXSGWJQG-QGZVFWFLSA-N 0 3 364.511 2.219 20 30 FEEDHN CN(CC(=O)NCC(F)(F)F)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328652313 522405650 /nfs/dbraw/zinc/40/56/50/522405650.db2.gz WILNPEQBJGNAAE-SWLSCSKDSA-N 0 3 361.412 2.254 20 30 FEEDHN N#CC(C(=O)c1ccc(C(=O)NC2CC2)cc1)c1nnc2n1CCCCC2 ZINC000156422367 545626181 /nfs/dbraw/zinc/62/61/81/545626181.db2.gz HOKLLZBDQOHILO-MRXNPFEDSA-N 0 3 363.421 2.387 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(c2ccnn2CCO)CC1 ZINC000157738790 545777775 /nfs/dbraw/zinc/77/77/75/545777775.db2.gz MMNFKFPBEGMLCC-UHFFFAOYSA-N 0 3 370.453 2.014 20 30 FEEDHN CN(C)Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 ZINC000478133832 561160642 /nfs/dbraw/zinc/16/06/42/561160642.db2.gz MSPAAVHGUVBRDL-UHFFFAOYSA-N 0 3 361.442 2.379 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnc(Cl)cc2C)CC1 ZINC000158855462 545901091 /nfs/dbraw/zinc/90/10/91/545901091.db2.gz JMAWXOUDJGNZIE-UHFFFAOYSA-N 0 3 350.850 2.139 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)N3CCCC[C@H]3C)cc2C1=O ZINC000478671306 561172355 /nfs/dbraw/zinc/17/23/55/561172355.db2.gz UMFFPFXLHYEHAM-HUUCEWRRSA-N 0 3 369.465 2.461 20 30 FEEDHN CC(C)[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)OCCO2 ZINC000161473412 546131562 /nfs/dbraw/zinc/13/15/62/546131562.db2.gz ZPIJLTSZELKGHN-FQEVSTJZSA-N 0 3 370.453 2.400 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(CC(F)(F)F)CC2)CC1 ZINC000171557570 546214034 /nfs/dbraw/zinc/21/40/34/546214034.db2.gz OEAMFDISUKRCGT-UHFFFAOYSA-N 0 3 362.440 2.353 20 30 FEEDHN C=CCN1CCC(NC(=O)CNC(=O)Cc2cccc3ccccc32)CC1 ZINC000171566181 546214763 /nfs/dbraw/zinc/21/47/63/546214763.db2.gz VUGRLYCAUXRPEX-UHFFFAOYSA-N 0 3 365.477 2.265 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(-n3ccnc3C)nc2)CC1 ZINC000171720538 546222147 /nfs/dbraw/zinc/22/21/47/546222147.db2.gz YYYITCTVOHVTEC-UHFFFAOYSA-N 0 3 354.458 2.025 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000171740629 546223693 /nfs/dbraw/zinc/22/36/93/546223693.db2.gz OAEVKWQAMMVWLU-QGZVFWFLSA-N 0 3 356.470 2.021 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)CC1 ZINC000173102378 546273210 /nfs/dbraw/zinc/27/32/10/546273210.db2.gz SJSJBIWLGFIZTE-HNNXBMFYSA-N 0 3 354.458 2.058 20 30 FEEDHN COC(=O)[C@H](NC1CCN(Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000176720530 546480166 /nfs/dbraw/zinc/48/01/66/546480166.db2.gz QPGHKGAHWLXOFR-HXUWFJFHSA-N 0 3 364.449 2.422 20 30 FEEDHN COc1cc(/C=C/C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1OCC#N ZINC000177056154 546533525 /nfs/dbraw/zinc/53/35/25/546533525.db2.gz PBCHDOUFBMYINL-XSXXPSGLSA-N 0 3 355.438 2.352 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)c(F)c1 ZINC000481029142 561223357 /nfs/dbraw/zinc/22/33/57/561223357.db2.gz ZLLNVPPEGFZOOU-QGZVFWFLSA-N 0 3 365.474 2.477 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC([C@H](C)NC(C)=O)CC1 ZINC000481150135 561226453 /nfs/dbraw/zinc/22/64/53/561226453.db2.gz XJMVLACLVFUQMB-JXFKEZNVSA-N 0 3 360.498 2.391 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000178473960 546799444 /nfs/dbraw/zinc/79/94/44/546799444.db2.gz PLEGLVJFZPEQGK-OAHLLOKOSA-N 0 3 364.449 2.442 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cccc(OCc3noc(C)n3)c2)CC1 ZINC000179344447 546936098 /nfs/dbraw/zinc/93/60/98/546936098.db2.gz HGGWIRZJNDEYAG-UHFFFAOYSA-N 0 3 356.426 2.337 20 30 FEEDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000180174461 547063116 /nfs/dbraw/zinc/06/31/16/547063116.db2.gz IYIBUQSGIWFPQX-HIFRSBDPSA-N 0 3 353.875 2.316 20 30 FEEDHN C[C@H](NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000482842243 561261130 /nfs/dbraw/zinc/26/11/30/561261130.db2.gz PQVXHPNNLMGEJA-ABSDTBQOSA-N 0 3 369.513 2.287 20 30 FEEDHN N#Cc1ccc(NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 ZINC000180722605 547167335 /nfs/dbraw/zinc/16/73/35/547167335.db2.gz QSSVIJSGVZZKRL-LJQANCHMSA-N 0 3 350.422 2.447 20 30 FEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000483497623 561278393 /nfs/dbraw/zinc/27/83/93/561278393.db2.gz UVIHFRQYXJOCDZ-RDJZCZTQSA-N 0 3 359.470 2.304 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCOC[C@H]1OCC ZINC000484637706 561301848 /nfs/dbraw/zinc/30/18/48/561301848.db2.gz HLCMEAYGDVXETF-USXIJHARSA-N 0 3 352.500 2.435 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184220257 547790299 /nfs/dbraw/zinc/79/02/99/547790299.db2.gz HAGKPDBIBWNVKZ-HNNXBMFYSA-N 0 3 359.474 2.104 20 30 FEEDHN N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c1 ZINC000184893986 547894750 /nfs/dbraw/zinc/89/47/50/547894750.db2.gz RBVOEGMCSUXFOJ-CQSZACIVSA-N 0 3 353.875 2.318 20 30 FEEDHN C#CCC(C)(C)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000185353590 547974131 /nfs/dbraw/zinc/97/41/31/547974131.db2.gz WCOJPNWYELHPRF-LJQANCHMSA-N 0 3 368.525 2.492 20 30 FEEDHN CCOC(=O)N1CC[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000185769803 548033480 /nfs/dbraw/zinc/03/34/80/548033480.db2.gz AUPAXZNTPQYZAF-QGZVFWFLSA-N 0 3 353.426 2.279 20 30 FEEDHN C=CCc1cc(CN[C@H]2CCOC[C@H]2OCCOC)cc(OC)c1O ZINC000485724320 561326698 /nfs/dbraw/zinc/32/66/98/561326698.db2.gz JPLLNVOAWKBBBX-FUHWJXTLSA-N 0 3 351.443 2.039 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000188691539 548285507 /nfs/dbraw/zinc/28/55/07/548285507.db2.gz DTYYDUFDESWEDW-IBGZPJMESA-N 0 3 370.497 2.046 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000249092630 549549721 /nfs/dbraw/zinc/54/97/21/549549721.db2.gz SWXZTGPKMGYMDO-GLQYFDAESA-N 0 3 351.834 2.160 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000264384618 549995035 /nfs/dbraw/zinc/99/50/35/549995035.db2.gz MAKGSFMTRHKNQB-UHFFFAOYSA-N 0 3 351.472 2.252 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000264370870 549995090 /nfs/dbraw/zinc/99/50/90/549995090.db2.gz QXQPEFOIMPBQEP-AWEZNQCLSA-N 0 3 356.470 2.216 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000264528084 549997341 /nfs/dbraw/zinc/99/73/41/549997341.db2.gz ZAUMEQOBOWXGJG-UHFFFAOYSA-N 0 3 361.398 2.136 20 30 FEEDHN N#CC1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CCOCC1 ZINC000268680935 550103166 /nfs/dbraw/zinc/10/31/66/550103166.db2.gz OFZPZEVMAKGRJK-UHFFFAOYSA-N 0 3 357.454 2.150 20 30 FEEDHN N#CC1(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CCSCC1 ZINC000270740652 550302548 /nfs/dbraw/zinc/30/25/48/550302548.db2.gz ADBZIADXBDYBCO-UHFFFAOYSA-N 0 3 373.522 2.410 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000271052781 550335895 /nfs/dbraw/zinc/33/58/95/550335895.db2.gz TYLFIWSYDZHGKU-HNNXBMFYSA-N 0 3 358.486 2.397 20 30 FEEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000271824766 550404545 /nfs/dbraw/zinc/40/45/45/550404545.db2.gz PRRPXGGHYAFCCY-AXUAAXHCSA-N 0 3 358.463 2.386 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000272173400 550426804 /nfs/dbraw/zinc/42/68/04/550426804.db2.gz JZYXPWWVNCGKFO-LBPRGKRZSA-N 0 3 362.861 2.339 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272567942 550458105 /nfs/dbraw/zinc/45/81/05/550458105.db2.gz VAHVYWVYYAPCCB-IAGOWNOFSA-N 0 3 357.454 2.278 20 30 FEEDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1=CCN(C)CC1 ZINC000272958259 550478326 /nfs/dbraw/zinc/47/83/26/550478326.db2.gz NGWHLHRQGUPDSU-PXNSSMCTSA-N 0 3 367.497 2.056 20 30 FEEDHN C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000275622196 550573219 /nfs/dbraw/zinc/57/32/19/550573219.db2.gz AUJXQSPVHMCVIQ-INIZCTEOSA-N 0 3 372.469 2.108 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000276443738 550578425 /nfs/dbraw/zinc/57/84/25/550578425.db2.gz OVAOGNOABLPCTQ-UHFFFAOYSA-N 0 3 361.511 2.251 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CC1 ZINC000277402011 550666011 /nfs/dbraw/zinc/66/60/11/550666011.db2.gz FOVNMEJUCCKAER-HXUWFJFHSA-N 0 3 371.550 2.065 20 30 FEEDHN CC(C)(C#N)CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000278283566 550768573 /nfs/dbraw/zinc/76/85/73/550768573.db2.gz QLEVRFQOGXHADR-GOSISDBHSA-N 0 3 369.513 2.382 20 30 FEEDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278826316 550826109 /nfs/dbraw/zinc/82/61/09/550826109.db2.gz ONKJUZBCUGDNOO-LBPRGKRZSA-N 0 3 372.288 2.035 20 30 FEEDHN N#CCCn1cc(CN2CCC[C@@H](C3OCCO3)C2)c(-c2ccncc2)n1 ZINC000279356252 550881108 /nfs/dbraw/zinc/88/11/08/550881108.db2.gz GSGXFMXYEJHOJE-QGZVFWFLSA-N 0 3 367.453 2.444 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000280033043 550954292 /nfs/dbraw/zinc/95/42/92/550954292.db2.gz LDGCAEZGUOLUOH-ZIFCJYIRSA-N 0 3 355.463 2.411 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000280158158 550966367 /nfs/dbraw/zinc/96/63/67/550966367.db2.gz BDZOJOLBDRDHFJ-WOJBJXKFSA-N 0 3 360.417 2.453 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(OC)c(C)cc2C)CC1 ZINC000280289615 550977070 /nfs/dbraw/zinc/97/70/70/550977070.db2.gz HVUSUFJFBJSJJO-UHFFFAOYSA-N 0 3 359.470 2.407 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280599182 551011719 /nfs/dbraw/zinc/01/17/19/551011719.db2.gz XNUYAUSAGZRHGU-KDURUIRLSA-N 0 3 367.474 2.311 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000281425291 551096048 /nfs/dbraw/zinc/09/60/48/551096048.db2.gz DIWXZYHIKLGNQH-QLFBSQMISA-N 0 3 351.328 2.155 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000281900061 551155236 /nfs/dbraw/zinc/15/52/36/551155236.db2.gz UWLOELBADNTRSK-IEBWSBKVSA-N 0 3 361.486 2.407 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000282141040 551185894 /nfs/dbraw/zinc/18/58/94/551185894.db2.gz RYVKVFLTXAKNOE-HXUWFJFHSA-N 0 3 363.461 2.051 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CCC(=O)Nc2ccccc2C#N)O1 ZINC000282348788 551215033 /nfs/dbraw/zinc/21/50/33/551215033.db2.gz CLQRKYMBYDMHLX-NBMRYCAZSA-N 0 3 371.437 2.070 20 30 FEEDHN C=CCS(=O)(=O)CCN[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000282685074 551259760 /nfs/dbraw/zinc/25/97/60/551259760.db2.gz AHVUKAHJOSJAHS-IAGOWNOFSA-N 0 3 351.468 2.359 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccnc1)C(C)C ZINC000283226171 551332475 /nfs/dbraw/zinc/33/24/75/551332475.db2.gz VEDVUJNTLIXQQU-WMZOPIPTSA-N 0 3 358.486 2.074 20 30 FEEDHN C=CCN1CC[C@@H](ON=C(N)c2ccccc2CN2CCCCC2)C1=O ZINC000283585736 551391839 /nfs/dbraw/zinc/39/18/39/551391839.db2.gz RNBRDUYVDCZLKA-GOSISDBHSA-N 0 3 356.470 2.096 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000283631444 551400313 /nfs/dbraw/zinc/40/03/13/551400313.db2.gz YBEXUXUPBWYCOD-CYBMUJFWSA-N 0 3 365.424 2.299 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2S[C@H](C)C(N)=O)CC1 ZINC000283730529 551418069 /nfs/dbraw/zinc/41/80/69/551418069.db2.gz ZFQIQCDZVIBTQD-CQSZACIVSA-N 0 3 361.511 2.423 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)c2c(F)cccc2F)CC1 ZINC000284021662 551469961 /nfs/dbraw/zinc/46/99/61/551469961.db2.gz OGZCWWQVPIBEHL-CYBMUJFWSA-N 0 3 365.424 2.299 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000284612044 551590010 /nfs/dbraw/zinc/59/00/10/551590010.db2.gz XLHZTUKGMNMRJG-UHFFFAOYSA-N 0 3 355.482 2.010 20 30 FEEDHN CCN1CCN(CCCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000284965979 551678717 /nfs/dbraw/zinc/67/87/17/551678717.db2.gz AXCSRYNHLOVCSB-UHFFFAOYSA-N 0 3 360.477 2.119 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000285276347 551730783 /nfs/dbraw/zinc/73/07/83/551730783.db2.gz ZQMHJAFSGWLNOC-MRXNPFEDSA-N 0 3 370.497 2.143 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H]1CCC[C@@H]1CCO ZINC000285585264 551778754 /nfs/dbraw/zinc/77/87/54/551778754.db2.gz BEMOAPPIRYHCST-BBWFWOEESA-N 0 3 359.470 2.471 20 30 FEEDHN CCOc1cccc(/C=N/C(CS(=O)(=O)N(C)C)C(F)(F)F)c1O ZINC000285627414 551785621 /nfs/dbraw/zinc/78/56/21/551785621.db2.gz VXFKRZSSVWWERP-MEBUONCMSA-N 0 3 368.377 2.032 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286245799 551865226 /nfs/dbraw/zinc/86/52/26/551865226.db2.gz ZTXUGQLFPYXOGB-LMCOJAPRSA-N 0 3 355.482 2.499 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000286367057 551879445 /nfs/dbraw/zinc/87/94/45/551879445.db2.gz CERXXQCOLCMYFT-IFXJQAMLSA-N 0 3 373.472 2.332 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCC2(Sc3ccccc3)CC2)CC1 ZINC000286500459 551893273 /nfs/dbraw/zinc/89/32/73/551893273.db2.gz KJMSNULYWKEPGA-UHFFFAOYSA-N 0 3 373.522 2.194 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000286692392 551915479 /nfs/dbraw/zinc/91/54/79/551915479.db2.gz PLFHBSKLJCDPGB-HXUWFJFHSA-N 0 3 369.509 2.377 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000286735238 551920446 /nfs/dbraw/zinc/92/04/46/551920446.db2.gz RTPXBSUUZRYPEA-UYAOXDASSA-N 0 3 369.509 2.281 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(OCCCOC)c(OC)c2)CC1 ZINC000287037921 551954706 /nfs/dbraw/zinc/95/47/06/551954706.db2.gz RFWAGMIKGJJMKB-UHFFFAOYSA-N 0 3 360.454 2.394 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000287343210 551991874 /nfs/dbraw/zinc/99/18/74/551991874.db2.gz PMKYOADXLMDGED-DAXOMENPSA-N 0 3 363.439 2.158 20 30 FEEDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000288024718 552076600 /nfs/dbraw/zinc/07/66/00/552076600.db2.gz CTMCOFFPMWGNOL-AWEZNQCLSA-N 0 3 366.421 2.355 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000288125062 552095488 /nfs/dbraw/zinc/09/54/88/552095488.db2.gz KGVBLRMTURHSRM-BFYDXBDKSA-N 0 3 370.453 2.001 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000288228109 552115089 /nfs/dbraw/zinc/11/50/89/552115089.db2.gz UXNXJIHCDYZTPT-ARFHVFGLSA-N 0 3 370.453 2.001 20 30 FEEDHN C=CCCCCNC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000288976365 552246703 /nfs/dbraw/zinc/24/67/03/552246703.db2.gz XJRRESZYBILAAD-INIZCTEOSA-N 0 3 358.486 2.196 20 30 FEEDHN C#CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289201729 552282007 /nfs/dbraw/zinc/28/20/07/552282007.db2.gz BLUNMMNOESJRSO-OXJNMPFZSA-N 0 3 355.438 2.041 20 30 FEEDHN C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289201729 552282009 /nfs/dbraw/zinc/28/20/09/552282009.db2.gz BLUNMMNOESJRSO-OXJNMPFZSA-N 0 3 355.438 2.041 20 30 FEEDHN C=CC[C@@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289590453 552345436 /nfs/dbraw/zinc/34/54/36/552345436.db2.gz UDHWPAQWVGPHIR-NSHDSACASA-N 0 3 362.167 2.226 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)c(OC)cc2Cl)CC1 ZINC000289666382 552359241 /nfs/dbraw/zinc/35/92/41/552359241.db2.gz MJFQCFWKINXLPB-UHFFFAOYSA-N 0 3 365.861 2.362 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000290182297 552439510 /nfs/dbraw/zinc/43/95/10/552439510.db2.gz RAQQLYBCWDJXKQ-FQEVSTJZSA-N 0 3 366.465 2.326 20 30 FEEDHN CN1CC[C@@]2(CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)C1 ZINC000292074542 552690910 /nfs/dbraw/zinc/69/09/10/552690910.db2.gz BVTAHGCYQLOHLT-OAQYLSRUSA-N 0 3 370.472 2.468 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(CCC(=O)Nc3ccccc3C#N)C2)nc1 ZINC000292212494 552705249 /nfs/dbraw/zinc/70/52/49/552705249.db2.gz OLZRAKQGEXOOMM-QGZVFWFLSA-N 0 3 361.405 2.307 20 30 FEEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)COCC(F)(F)F)CC2)cc1 ZINC000292621766 552743704 /nfs/dbraw/zinc/74/37/04/552743704.db2.gz MWWWCYDTKDJPBJ-CQSZACIVSA-N 0 3 358.360 2.341 20 30 FEEDHN C[C@@](C#N)(NC(=O)CNC1(Cc2ccc(F)cc2)CCOCC1)C1CC1 ZINC000292739404 552754082 /nfs/dbraw/zinc/75/40/82/552754082.db2.gz AIFBTVGUNSMCOW-IBGZPJMESA-N 0 3 359.445 2.315 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCCN3C3CCCC3)C2)nc1 ZINC000293734906 552851399 /nfs/dbraw/zinc/85/13/99/552851399.db2.gz NPWGZCONMBZPKE-ROUUACIJSA-N 0 3 354.454 2.340 20 30 FEEDHN CN(C)Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000293806934 552858191 /nfs/dbraw/zinc/85/81/91/552858191.db2.gz TZDQUZOTEVBQCR-SFHVURJKSA-N 0 3 350.422 2.308 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000293896862 552866020 /nfs/dbraw/zinc/86/60/20/552866020.db2.gz DWLFWHZFWJVEQM-UHFFFAOYSA-N 0 3 373.522 2.086 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000501728331 561604158 /nfs/dbraw/zinc/60/41/58/561604158.db2.gz GHAJAFVZUONMTH-MJGOQNOKSA-N 0 3 355.482 2.214 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccnn1CCN(C)C ZINC000294239538 552890516 /nfs/dbraw/zinc/89/05/16/552890516.db2.gz XKEYGXNYDPGQRW-UHFFFAOYSA-N 0 3 371.441 2.123 20 30 FEEDHN CN(C)CCn1nccc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000294244425 552890600 /nfs/dbraw/zinc/89/06/00/552890600.db2.gz XPLMFGYYIQZSRJ-UHFFFAOYSA-N 0 3 368.441 2.064 20 30 FEEDHN C=CCOc1ccc(CC(=O)NCCCCN2CCN(CC)CC2)cc1 ZINC000294883577 552941370 /nfs/dbraw/zinc/94/13/70/552941370.db2.gz DWAYQIMIORVYAH-UHFFFAOYSA-N 0 3 359.514 2.328 20 30 FEEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295148943 552963508 /nfs/dbraw/zinc/96/35/08/552963508.db2.gz NGCOXGNCUOJKGX-SFHVURJKSA-N 0 3 360.502 2.041 20 30 FEEDHN C#CCO[C@@H](C)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000295413735 553002387 /nfs/dbraw/zinc/00/23/87/553002387.db2.gz DIKJFUVYADKMJB-FUHWJXTLSA-N 0 3 352.438 2.307 20 30 FEEDHN C#CCO[C@H](C)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000295413732 553002476 /nfs/dbraw/zinc/00/24/76/553002476.db2.gz DIKJFUVYADKMJB-AEFFLSMTSA-N 0 3 352.438 2.307 20 30 FEEDHN CC#CCCNC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000502130933 561612642 /nfs/dbraw/zinc/61/26/42/561612642.db2.gz VUNBRVIEUWRMQB-HXUWFJFHSA-N 0 3 354.498 2.002 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000295787223 553058908 /nfs/dbraw/zinc/05/89/08/553058908.db2.gz UUOCSRKOOOPFNO-SFHVURJKSA-N 0 3 365.474 2.477 20 30 FEEDHN CN1CCN(Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)CC1 ZINC000296374628 553149856 /nfs/dbraw/zinc/14/98/56/553149856.db2.gz PJPYOEZAYBXGGM-PXNSSMCTSA-N 0 3 369.513 2.316 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)N(C)C1CC1 ZINC000296438820 553159953 /nfs/dbraw/zinc/15/99/53/553159953.db2.gz FDDUQSMEUYQXMK-NSHDSACASA-N 0 3 362.499 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ncc(CC(=O)OCC)s2)CC1 ZINC000297178604 553259711 /nfs/dbraw/zinc/25/97/11/553259711.db2.gz NRMSDTARCXIICT-UHFFFAOYSA-N 0 3 352.460 2.021 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc(COC)cc(C(=O)OC)c2)CC1 ZINC000297490661 553299141 /nfs/dbraw/zinc/29/91/41/553299141.db2.gz UGKDFNGGJANTNR-UHFFFAOYSA-N 0 3 361.442 2.392 20 30 FEEDHN C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000297635673 553318469 /nfs/dbraw/zinc/31/84/69/553318469.db2.gz IHKBMDKOXXELNY-ZHALLVOQSA-N 0 3 370.497 2.116 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(-n2cnnn2)cc1)C(C)C ZINC000503411404 561640752 /nfs/dbraw/zinc/64/07/52/561640752.db2.gz PJCJPEZZYFZHOI-GOSISDBHSA-N 0 3 369.473 2.482 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](CNC(C)=O)C1)C(C)C ZINC000299349745 553551431 /nfs/dbraw/zinc/55/14/31/553551431.db2.gz QGMJBUOONXBJRB-OALUTQOASA-N 0 3 364.534 2.243 20 30 FEEDHN N#CCC[C@H](C#N)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000299590643 553585518 /nfs/dbraw/zinc/58/55/18/553585518.db2.gz SWDSYULCLIJVPQ-WOJBJXKFSA-N 0 3 366.513 2.359 20 30 FEEDHN N#CCc1cccc(C(=O)NCCCN2CCN(c3ccncc3)CC2)c1 ZINC000299596524 553586285 /nfs/dbraw/zinc/58/62/85/553586285.db2.gz URIAIRCALWAXCU-UHFFFAOYSA-N 0 3 363.465 2.090 20 30 FEEDHN CCc1ccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N(C)C)cc1 ZINC000301208597 553631233 /nfs/dbraw/zinc/63/12/33/553631233.db2.gz SCIHMLNHLVDVGG-IBGZPJMESA-N 0 3 372.494 2.483 20 30 FEEDHN Cc1cc(NC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)ncc1C#N ZINC000603113901 553710861 /nfs/dbraw/zinc/71/08/61/553710861.db2.gz XNOUXVNPZCDMAV-MRXNPFEDSA-N 0 3 357.458 2.369 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)Nc2cc(C)c(C#N)cn2)CC1 ZINC000603114624 553711372 /nfs/dbraw/zinc/71/13/72/553711372.db2.gz SRZONRVGRCWBCR-UHFFFAOYSA-N 0 3 352.398 2.019 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCC23CCOCC3)CC1 ZINC000328689499 553807851 /nfs/dbraw/zinc/80/78/51/553807851.db2.gz BIRMHCBDCOVBBX-MSOLQXFVSA-N 0 3 366.550 2.113 20 30 FEEDHN CC(C)Cn1ncc2cc(C(=O)NCCN3CCN(C)C(C)(C)C3)cnc21 ZINC000328729583 553813560 /nfs/dbraw/zinc/81/35/60/553813560.db2.gz WDDWXCPJZANIEZ-UHFFFAOYSA-N 0 3 372.517 2.418 20 30 FEEDHN C[C@@H]1CN(CC2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)C[C@H](C)O1 ZINC000328737539 553814673 /nfs/dbraw/zinc/81/46/73/553814673.db2.gz HBZBFGSVEJROEK-GQIGUUNPSA-N 0 3 362.518 2.456 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000328746851 553815769 /nfs/dbraw/zinc/81/57/69/553815769.db2.gz OWZJOADGANYBRL-NSHDSACASA-N 0 3 370.247 2.276 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1 ZINC000328934120 553847928 /nfs/dbraw/zinc/84/79/28/553847928.db2.gz FCBAWWPTHKZLCQ-AYBZRNKSSA-N 0 3 359.470 2.243 20 30 FEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000329151106 553890198 /nfs/dbraw/zinc/89/01/98/553890198.db2.gz ZXPYIXXLIQTHCZ-YVSFHVDLSA-N 0 3 363.506 2.357 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000329171023 553894454 /nfs/dbraw/zinc/89/44/54/553894454.db2.gz JWQWGYULPDTHKF-AVEIZBFRSA-N 0 3 351.491 2.043 20 30 FEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000329182012 553897233 /nfs/dbraw/zinc/89/72/33/553897233.db2.gz NRAFZGDDOZHXLP-HRCADAONSA-N 0 3 353.507 2.432 20 30 FEEDHN Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)cc1F ZINC000329272238 553914734 /nfs/dbraw/zinc/91/47/34/553914734.db2.gz ADHJVLXGUYBHHI-MRXNPFEDSA-N 0 3 374.460 2.043 20 30 FEEDHN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000329310278 553922563 /nfs/dbraw/zinc/92/25/63/553922563.db2.gz PLNWCSQKHPOKGW-WMZOPIPTSA-N 0 3 358.486 2.498 20 30 FEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000329320839 553924341 /nfs/dbraw/zinc/92/43/41/553924341.db2.gz UGZVHKBWXZNKFL-OAHLLOKOSA-N 0 3 374.460 2.171 20 30 FEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000329318650 553924779 /nfs/dbraw/zinc/92/47/79/553924779.db2.gz SXCBTEAUXDZFIF-IUODEOHRSA-N 0 3 362.861 2.186 20 30 FEEDHN N#Cc1ccc(-n2ccc(NC(=O)N3CCN4CCC[C@H]4C3)n2)c(Cl)c1 ZINC000329352181 553929762 /nfs/dbraw/zinc/92/97/62/553929762.db2.gz XNRCYYCEUZBFIQ-AWEZNQCLSA-N 0 3 370.844 2.709 20 30 FEEDHN CN(C)c1cc(NC(=O)NCC2(N3CCSCC3)CCCC2)ncn1 ZINC000329524365 553961928 /nfs/dbraw/zinc/96/19/28/553961928.db2.gz QKBZKEIAMKUJOS-UHFFFAOYSA-N 0 3 364.519 2.230 20 30 FEEDHN CS[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1N1CCCC1 ZINC000329617185 553977020 /nfs/dbraw/zinc/97/70/20/553977020.db2.gz QBISQLOKYYXHKF-SJORKVTESA-N 0 3 364.559 2.183 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)N[C@H]3CCCOC3)CC2)C[C@@H](C)O1 ZINC000329691846 553990054 /nfs/dbraw/zinc/99/00/54/553990054.db2.gz CAHCCCMQDPSTNZ-NUJGCVRESA-N 0 3 353.507 2.291 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ncn(C(C)(C)C)n2)CN1Cc1ccccc1 ZINC000329720540 553995007 /nfs/dbraw/zinc/99/50/07/553995007.db2.gz BRKUBUZEQOODPD-GDBMZVCRSA-N 0 3 356.474 3.022 20 30 FEEDHN Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@H](C)C3CCN(C)CC3)C2)nn1 ZINC000329781560 554005029 /nfs/dbraw/zinc/00/50/29/554005029.db2.gz NIDKGYAZZYOWPR-AEFFLSMTSA-N 0 3 374.533 2.330 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3nc4ccccc4o3)CC2)CCN1C ZINC000329794527 554007356 /nfs/dbraw/zinc/00/73/56/554007356.db2.gz CCCMAFXMPSXEHJ-HUUCEWRRSA-N 0 3 357.458 2.347 20 30 FEEDHN CC1(C)NC(=O)N(c2cccc(NC(=O)N3CCN4CCC[C@@H]4C3)c2)C1=O ZINC000329822851 554012838 /nfs/dbraw/zinc/01/28/38/554012838.db2.gz QDONAPRVQZPKOH-OAHLLOKOSA-N 0 3 371.441 2.051 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000329890159 554025210 /nfs/dbraw/zinc/02/52/10/554025210.db2.gz FUCUMLBGTSEHBM-SKSLQVBQSA-N 0 3 357.454 2.024 20 30 FEEDHN C[C@H](CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)N1CCC[C@@H](C)C1 ZINC000329912131 554029680 /nfs/dbraw/zinc/02/96/80/554029680.db2.gz BAIWPEBADDZNGW-MDZRGWNJSA-N 0 3 353.507 2.291 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)CCN1C ZINC000329918656 554031486 /nfs/dbraw/zinc/03/14/86/554031486.db2.gz ZWZZALJPDTYFCT-FPIQFJIESA-N 0 3 366.483 2.395 20 30 FEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000330155066 554075115 /nfs/dbraw/zinc/07/51/15/554075115.db2.gz YBQFRXHGEIZRNE-ATZDWAIDSA-N 0 3 360.454 2.283 20 30 FEEDHN CC(=O)N1CC[C@H](NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000330201198 554083804 /nfs/dbraw/zinc/08/38/04/554083804.db2.gz XKCNLUSUKGBNTG-AZUAARDMSA-N 0 3 358.486 2.166 20 30 FEEDHN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1(C)C ZINC000330215417 554087065 /nfs/dbraw/zinc/08/70/65/554087065.db2.gz HABVRYOSJXCWKN-HDEZJCGLSA-N 0 3 353.507 2.145 20 30 FEEDHN Cc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1N1CCNC1=O ZINC000330223059 554087971 /nfs/dbraw/zinc/08/79/71/554087971.db2.gz SDQQKHOPEFKYPU-INIZCTEOSA-N 0 3 355.442 2.221 20 30 FEEDHN C[C@H](CNC(=O)N[C@H]1CCOC2(CCOCC2)C1)N1CCC(C)CC1 ZINC000330223145 554088001 /nfs/dbraw/zinc/08/80/01/554088001.db2.gz MXTVXLIDBFKUFL-SJORKVTESA-N 0 3 353.507 2.339 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)NC1CCN(c2nccn(CC)c2=O)CC1 ZINC000330223998 554088172 /nfs/dbraw/zinc/08/81/72/554088172.db2.gz SNHVKOLMUKSIQF-MRXNPFEDSA-N 0 3 361.490 2.063 20 30 FEEDHN O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000330225255 554088829 /nfs/dbraw/zinc/08/88/29/554088829.db2.gz OCIADSDBAUKRNE-IAGOWNOFSA-N 0 3 351.491 2.189 20 30 FEEDHN C[C@H](CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1)N1CCC[C@@H](C)C1 ZINC000330242643 554091419 /nfs/dbraw/zinc/09/14/19/554091419.db2.gz GFVGSPGISKZPAB-BRWVUGGUSA-N 0 3 353.507 2.339 20 30 FEEDHN C[C@H](CNC(=O)N[C@H]1CCOC2(CCOCC2)C1)N1CCC[C@@H](C)C1 ZINC000330242644 554091568 /nfs/dbraw/zinc/09/15/68/554091568.db2.gz GFVGSPGISKZPAB-ZACQAIPSSA-N 0 3 353.507 2.339 20 30 FEEDHN CN1CCC(n2ccc(NC(=O)N[C@H]3CCc4c3cccc4O)n2)CC1 ZINC000330260286 554094657 /nfs/dbraw/zinc/09/46/57/554094657.db2.gz OEHVWDBJDJNPIK-INIZCTEOSA-N 0 3 355.442 2.869 20 30 FEEDHN CNC(=O)C1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000330270138 554096349 /nfs/dbraw/zinc/09/63/49/554096349.db2.gz SXOIQZGSZQQERD-QQFBHYJXSA-N 0 3 366.506 2.231 20 30 FEEDHN Cn1cncc1[C@@H]1C[C@H](NC(=O)NCC(C)(C)N2CCCCC2)CCO1 ZINC000330332380 554106962 /nfs/dbraw/zinc/10/69/62/554106962.db2.gz OUUZQFFDVRRUNH-WBVHZDCISA-N 0 3 363.506 2.408 20 30 FEEDHN C=CCn1c(CCc2ccco2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000508808460 561773629 /nfs/dbraw/zinc/77/36/29/561773629.db2.gz HDVNAEKKANPSQB-KRWDZBQOSA-N 0 3 371.485 2.001 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000331406833 554259326 /nfs/dbraw/zinc/25/93/26/554259326.db2.gz UIVKRYTYWOTKFS-RBUKOAKNSA-N 0 3 364.449 2.102 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000331614002 554295290 /nfs/dbraw/zinc/29/52/90/554295290.db2.gz KKDLTLQVHFYTLB-AYOQOUSVSA-N 0 3 356.470 2.370 20 30 FEEDHN C=CCSCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000509187372 561788878 /nfs/dbraw/zinc/78/88/78/561788878.db2.gz UUBRRLDMLCXODY-ZWKOTPCHSA-N 0 3 363.527 2.088 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@](C)(O)CC2)cc1 ZINC000332366048 554432981 /nfs/dbraw/zinc/43/29/81/554432981.db2.gz YKMDFGBHNZEPIB-CXAGYDPISA-N 0 3 365.455 2.141 20 30 FEEDHN Cc1ccccc1[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000332669023 554493909 /nfs/dbraw/zinc/49/39/09/554493909.db2.gz MPTHQFGRRFPGDP-PZJWPPBQSA-N 0 3 368.525 2.477 20 30 FEEDHN Cc1ccccc1[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000332669027 554493982 /nfs/dbraw/zinc/49/39/82/554493982.db2.gz MPTHQFGRRFPGDP-TZIWHRDSSA-N 0 3 368.525 2.477 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000333413208 554610764 /nfs/dbraw/zinc/61/07/64/554610764.db2.gz KMJDLQCSTQCJPR-MRXNPFEDSA-N 0 3 351.447 2.134 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@H](c2ccc(C)cc2)N2CCCC2)C1=O ZINC000348427303 554684741 /nfs/dbraw/zinc/68/47/41/554684741.db2.gz SPBOXNOHKCSVSE-ZWKOTPCHSA-N 0 3 357.454 2.255 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCCN(Cc3cccs3)C2)C1=O ZINC000348513880 554687560 /nfs/dbraw/zinc/68/75/60/554687560.db2.gz ONAOBSNRQIBHCF-ZBFHGGJFSA-N 0 3 363.483 2.083 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 ZINC000361750110 554932834 /nfs/dbraw/zinc/93/28/34/554932834.db2.gz GZXAIIWTLHXQPG-MRXNPFEDSA-N 0 3 371.456 2.091 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000511624339 561874976 /nfs/dbraw/zinc/87/49/76/561874976.db2.gz CEBXSLYLQBHBEV-RYUDHWBXSA-N 0 3 361.389 2.441 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000362431165 554971875 /nfs/dbraw/zinc/97/18/75/554971875.db2.gz SRGPXNDVGZADKE-IAGOWNOFSA-N 0 3 371.481 2.285 20 30 FEEDHN Cn1ncc(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)c1C#N ZINC000511753223 561879704 /nfs/dbraw/zinc/87/97/04/561879704.db2.gz CHXIVTRNPGJQRQ-SFHVURJKSA-N 0 3 351.454 2.322 20 30 FEEDHN C=CCN(C(=O)NCC(C)(C)C(=O)NC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363808129 555190447 /nfs/dbraw/zinc/19/04/47/555190447.db2.gz AJORQLHHOLERAB-GOSISDBHSA-N 0 3 372.513 2.231 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000363923129 555214934 /nfs/dbraw/zinc/21/49/34/555214934.db2.gz JXWKADFASAQMGB-UHFFFAOYSA-N 0 3 369.391 2.437 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000364161501 555260772 /nfs/dbraw/zinc/26/07/72/555260772.db2.gz MNRPXKVSJFCGBR-PKOBYXMFSA-N 0 3 359.470 2.256 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000364740024 555390668 /nfs/dbraw/zinc/39/06/68/555390668.db2.gz XERHBTKMMGDEEY-UHFFFAOYSA-N 0 3 362.518 2.071 20 30 FEEDHN C=CCOc1ccc(/C=C/C(=O)N2CCCN([C@H](C)CO)CC2)cc1OC ZINC000364930018 555440810 /nfs/dbraw/zinc/44/08/10/555440810.db2.gz CUWIFKWKRWEGLI-UGAXZCSASA-N 0 3 374.481 2.188 20 30 FEEDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1c(C#N)cccc1C#N ZINC000365460917 555582046 /nfs/dbraw/zinc/58/20/46/555582046.db2.gz NEEQAQPLIUIGIZ-UHFFFAOYSA-N 0 3 363.469 2.226 20 30 FEEDHN N#Cc1c(F)ccc(CN[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1Cl ZINC000365482052 555587166 /nfs/dbraw/zinc/58/71/66/555587166.db2.gz UHGHVBWJUABDGW-MLGOLLRUSA-N 0 3 372.849 2.177 20 30 FEEDHN CN1CC[C@@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@@H]1c1cccs1 ZINC000365645501 555630977 /nfs/dbraw/zinc/63/09/77/555630977.db2.gz CIVLKJOABPGLJI-XJKSGUPXSA-N 0 3 358.471 2.673 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000365712442 555648322 /nfs/dbraw/zinc/64/83/22/555648322.db2.gz OROKQXSTWRSTRF-MOPGFXCFSA-N 0 3 365.481 2.183 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(-c2ccccc2)nn1 ZINC000513470219 561939472 /nfs/dbraw/zinc/93/94/72/561939472.db2.gz DKJZFKWBVOXXDD-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(Oc3cnccn3)CC2)CC1 ZINC000365994312 555721316 /nfs/dbraw/zinc/72/13/16/555721316.db2.gz IWUSANGCJXQJDC-UHFFFAOYSA-N 0 3 359.474 2.070 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 ZINC000366304447 555806772 /nfs/dbraw/zinc/80/67/72/555806772.db2.gz CNVWYLKCCMRVIR-JQHSSLGASA-N 0 3 366.502 2.090 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000366379972 555827719 /nfs/dbraw/zinc/82/77/19/555827719.db2.gz GNESXRDFWPGQCS-PKOBYXMFSA-N 0 3 358.401 2.162 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000367251481 556004093 /nfs/dbraw/zinc/00/40/93/556004093.db2.gz GDJVAAVPDLYHTB-SJLPKXTDSA-N 0 3 368.481 2.421 20 30 FEEDHN CCc1nnc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)c(C#N)c1CC ZINC000367460624 556056407 /nfs/dbraw/zinc/05/64/07/556056407.db2.gz FZEOHXCCQNLQOU-OAHLLOKOSA-N 0 3 356.518 2.078 20 30 FEEDHN CN1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000368588663 556354762 /nfs/dbraw/zinc/35/47/62/556354762.db2.gz GTYOYNBGAGDOMC-HKUYNNGSSA-N 0 3 368.481 2.266 20 30 FEEDHN CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000368664015 556378609 /nfs/dbraw/zinc/37/86/09/556378609.db2.gz SYGSGPSIMJEJCF-CVEARBPZSA-N 0 3 360.483 2.424 20 30 FEEDHN Cc1nc(C(=O)NCC2(N3CCN(C)CC3)CCCCCC2)ccc1C#N ZINC000368748399 556404333 /nfs/dbraw/zinc/40/43/33/556404333.db2.gz XYKOPUHQAJGZBY-UHFFFAOYSA-N 0 3 369.513 2.332 20 30 FEEDHN Cc1cc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)nn1-c1cccc(C#N)c1 ZINC000368800884 556416343 /nfs/dbraw/zinc/41/63/43/556416343.db2.gz SWNHKEFTTJSULB-SJLPKXTDSA-N 0 3 364.453 2.610 20 30 FEEDHN N#Cc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369160725 556521700 /nfs/dbraw/zinc/52/17/00/556521700.db2.gz KLNLJRNOJNXFRB-GOSISDBHSA-N 0 3 364.449 2.360 20 30 FEEDHN N#C[C@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCN1C1CC1 ZINC000369219258 556539388 /nfs/dbraw/zinc/53/93/88/556539388.db2.gz NHSPHUHZUXTWPY-IRXDYDNUSA-N 0 3 373.526 2.267 20 30 FEEDHN Cc1nc(C)n(C[C@@H]2CCCCN2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000369238862 556545783 /nfs/dbraw/zinc/54/57/83/556545783.db2.gz SPMLBZZCADYQRQ-RBUKOAKNSA-N 0 3 369.469 2.061 20 30 FEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000369303630 556569259 /nfs/dbraw/zinc/56/92/59/556569259.db2.gz QSLJMLVEAQQROR-MRXNPFEDSA-N 0 3 371.485 2.140 20 30 FEEDHN CC(C)(C#N)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000369532802 556623245 /nfs/dbraw/zinc/62/32/45/556623245.db2.gz QFMNSBDSMZBFQA-GOSISDBHSA-N 0 3 368.481 2.042 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1CCC(=O)Nc1sccc1C#N ZINC000369675276 556665261 /nfs/dbraw/zinc/66/52/61/556665261.db2.gz FBOYDNSAXKWLEX-CQSZACIVSA-N 0 3 362.499 2.133 20 30 FEEDHN Cc1cc(=NC(=O)N[C@H]2c3ccccc3CC[C@@H]2N(C)C)[nH]n1CCC#N ZINC000369851414 556712331 /nfs/dbraw/zinc/71/23/31/556712331.db2.gz JJNKSILXBCDSRT-HKUYNNGSSA-N 0 3 366.469 2.844 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000370304292 556835358 /nfs/dbraw/zinc/83/53/58/556835358.db2.gz XOXAOTTXJAZFQN-OALUTQOASA-N 0 3 373.497 2.382 20 30 FEEDHN C=CCn1c(C)cc(C(=O)CN2CCC[C@H]2CN2CCC[C@H]2CO)c1C ZINC000370355157 556848852 /nfs/dbraw/zinc/84/88/52/556848852.db2.gz LDRADMLDHJKOAE-OALUTQOASA-N 0 3 359.514 2.395 20 30 FEEDHN CN(C)C[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)c2ccccc2O1 ZINC000370503694 556892872 /nfs/dbraw/zinc/89/28/72/556892872.db2.gz WTQOQVMYFJCOMG-QGZVFWFLSA-N 0 3 351.406 2.293 20 30 FEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000516955956 562067092 /nfs/dbraw/zinc/06/70/92/562067092.db2.gz UFYYUGMUQPVZPX-INIZCTEOSA-N 0 3 363.465 2.308 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000517214125 562079826 /nfs/dbraw/zinc/07/98/26/562079826.db2.gz ZFFCYBABMWKHNW-JKSUJKDBSA-N 0 3 356.470 2.070 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC12CCN(C)CC2 ZINC000371360179 557160263 /nfs/dbraw/zinc/16/02/63/557160263.db2.gz CVIPVRCENPZJCU-UHFFFAOYSA-N 0 3 357.502 2.433 20 30 FEEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H]2C2CC2)CC1 ZINC000371470298 557191251 /nfs/dbraw/zinc/19/12/51/557191251.db2.gz KNYAASKVMBPPIE-IRXDYDNUSA-N 0 3 358.511 2.331 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCCCC3)C2)c1C#N ZINC000371873094 557316055 /nfs/dbraw/zinc/31/60/55/557316055.db2.gz QRMHMGWJIWHSBV-INIZCTEOSA-N 0 3 354.454 2.282 20 30 FEEDHN COc1ccc(O[C@@H](C)CNC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000518362691 562109585 /nfs/dbraw/zinc/10/95/85/562109585.db2.gz SVRKYHQPWLNHQD-RDJZCZTQSA-N 0 3 356.422 2.364 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000371871930 557316271 /nfs/dbraw/zinc/31/62/71/557316271.db2.gz FKXPFPJGGRZFEM-QGZVFWFLSA-N 0 3 354.454 2.282 20 30 FEEDHN Cc1ccc(CN2CCC(CNC(=O)N3CCN(C)[C@@H](C#N)C3)CC2)cc1 ZINC000372219084 557412761 /nfs/dbraw/zinc/41/27/61/557412761.db2.gz WBLWSZNIAFNMHR-FQEVSTJZSA-N 0 3 369.513 2.056 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 ZINC000519286974 562128621 /nfs/dbraw/zinc/12/86/21/562128621.db2.gz NYXDGNXQLGFCQA-UHFFFAOYSA-N 0 3 357.458 2.378 20 30 FEEDHN C[C@H]1CN(CCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CCCO1 ZINC000372894318 557584294 /nfs/dbraw/zinc/58/42/94/557584294.db2.gz ZCDPBVVPUTZLGX-UWJYYQICSA-N 0 3 355.482 2.302 20 30 FEEDHN COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)Cc1cccc(C#N)c1 ZINC000373171916 557643263 /nfs/dbraw/zinc/64/32/63/557643263.db2.gz DMRGMNIOTKZVMO-KRWDZBQOSA-N 0 3 357.435 2.307 20 30 FEEDHN C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000373198146 557648307 /nfs/dbraw/zinc/64/83/07/557648307.db2.gz NHMDQDSZAYKNEM-PXNSSMCTSA-N 0 3 366.509 2.340 20 30 FEEDHN N#Cc1ccc(S(N)(=O)=O)cc1NC1CCN(Cc2ccccc2)CC1 ZINC000373843256 557771595 /nfs/dbraw/zinc/77/15/95/557771595.db2.gz FDBSGOMMKPADMO-UHFFFAOYSA-N 0 3 370.478 2.282 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000520790725 562163889 /nfs/dbraw/zinc/16/38/89/562163889.db2.gz BGWBMNASKAIJTA-HUUCEWRRSA-N 0 3 372.469 2.275 20 30 FEEDHN C[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000374319224 557864635 /nfs/dbraw/zinc/86/46/35/557864635.db2.gz WQVRJXWPZGWWIW-DZCMZPKPSA-N 0 3 352.482 2.056 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](CNC(=O)c3ccco3)C2)cc1 ZINC000374565427 557900480 /nfs/dbraw/zinc/90/04/80/557900480.db2.gz GZFJXHZKGVBKRO-AEFFLSMTSA-N 0 3 353.422 2.327 20 30 FEEDHN C[C@@H](NCCCN1C(=O)CNC1=O)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374954902 557956130 /nfs/dbraw/zinc/95/61/30/557956130.db2.gz PKFVFEDKAZSHCM-GFCCVEGCSA-N 0 3 369.450 2.274 20 30 FEEDHN C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CCN1C1CCN(C)CC1 ZINC000376066732 558122151 /nfs/dbraw/zinc/12/21/51/558122151.db2.gz KDLHNZKGJLNAFK-CQSZACIVSA-N 0 3 360.889 2.452 20 30 FEEDHN Cn1ccnc1C[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000376496399 558180861 /nfs/dbraw/zinc/18/08/61/558180861.db2.gz WZBFOZAIEYJJOV-RTBURBONSA-N 0 3 361.449 2.455 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376571592 558192369 /nfs/dbraw/zinc/19/23/69/558192369.db2.gz BWSWIEHUAZTECJ-RHSMWYFYSA-N 0 3 365.441 2.229 20 30 FEEDHN CN(C)c1ncc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000376743035 558215796 /nfs/dbraw/zinc/21/57/96/558215796.db2.gz RXPKRDHYXCNONI-MRXNPFEDSA-N 0 3 354.433 2.312 20 30 FEEDHN COC[C@@]1(CNCc2cnc3ccc(C#N)cn23)OCCc2ccccc21 ZINC000377723338 558406024 /nfs/dbraw/zinc/40/60/24/558406024.db2.gz NDWAVHVDRXYFHM-OAQYLSRUSA-N 0 3 362.433 2.410 20 30 FEEDHN N#Cc1cccc([C@H]2CN(C(=O)[C@H]3CCCN3C3CCOCC3)CCO2)c1 ZINC000378298565 558523411 /nfs/dbraw/zinc/52/34/11/558523411.db2.gz GVQQUGQTEUEYPC-WOJBJXKFSA-N 0 3 369.465 2.102 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c1 ZINC000378447076 558559368 /nfs/dbraw/zinc/55/93/68/558559368.db2.gz ACPLNFVRSGLZCY-QAPCUYQASA-N 0 3 357.454 2.133 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000378459543 558562525 /nfs/dbraw/zinc/56/25/25/558562525.db2.gz UAQWJEUSAZPSTG-GPMSIDNRSA-N 0 3 358.461 2.487 20 30 FEEDHN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000390727391 558611630 /nfs/dbraw/zinc/61/16/30/558611630.db2.gz SGYXUYWGRNLHAH-KRWDZBQOSA-N 0 3 371.506 2.442 20 30 FEEDHN CN(CCNCCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000395413556 558622750 /nfs/dbraw/zinc/62/27/50/558622750.db2.gz HJDRTCUUVVSJPZ-UHFFFAOYSA-N 0 3 357.479 2.054 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000408081096 558644413 /nfs/dbraw/zinc/64/44/13/558644413.db2.gz URBDAAHOBVFERA-OAHLLOKOSA-N 0 3 371.485 2.199 20 30 FEEDHN C[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)n1cnc(C#N)n1 ZINC000409491559 558697320 /nfs/dbraw/zinc/69/73/20/558697320.db2.gz AEWDJPMCAJUERV-WMZOPIPTSA-N 0 3 366.469 2.300 20 30 FEEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000409694718 558713576 /nfs/dbraw/zinc/71/35/76/558713576.db2.gz NHGPQHMMDKQCJE-CABCVRRESA-N 0 3 352.442 2.053 20 30 FEEDHN C=CCOc1ccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1OC ZINC000409713037 558715704 /nfs/dbraw/zinc/71/57/04/558715704.db2.gz BWPSBJMTYIBURN-QGZVFWFLSA-N 0 3 362.470 2.083 20 30 FEEDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)N(CC)C[C@H](C)C#N)C1 ZINC000410130634 558740657 /nfs/dbraw/zinc/74/06/57/558740657.db2.gz MTTUMODGUQBYGU-HZPDHXFCSA-N 0 3 358.552 2.203 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411494560 558904926 /nfs/dbraw/zinc/90/49/26/558904926.db2.gz SYWQQRBGPLWTNY-CRAIPNDOSA-N 0 3 359.470 2.093 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)c1C#N ZINC000411692905 558945374 /nfs/dbraw/zinc/94/53/74/558945374.db2.gz KSPDWXOSBYCKHP-UHFFFAOYSA-N 0 3 370.478 2.457 20 30 FEEDHN C=CCC1(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CCCCC1 ZINC000412463005 559037245 /nfs/dbraw/zinc/03/72/45/559037245.db2.gz LSPHQROQOZRALC-UHFFFAOYSA-N 0 3 363.546 2.426 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000412679535 559050410 /nfs/dbraw/zinc/05/04/10/559050410.db2.gz XCJNHQCWPWSXFY-VQIMIIECSA-N 0 3 352.438 2.153 20 30 FEEDHN C=CCSCCNC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413207507 559088598 /nfs/dbraw/zinc/08/85/98/559088598.db2.gz RTUSQBFQBYPBDB-UHFFFAOYSA-N 0 3 363.527 2.232 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@@H](C)C#N ZINC000413759029 559129051 /nfs/dbraw/zinc/12/90/51/559129051.db2.gz HWJMSJPDDVULCP-QXAKKESOSA-N 0 3 358.486 2.325 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1F)CCNC2)c1ccc(C#N)cc1 ZINC000414703949 559181184 /nfs/dbraw/zinc/18/11/84/559181184.db2.gz VYMHENVUEGZQMM-GFCCVEGCSA-N 0 3 366.396 2.159 20 30 FEEDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415425338 559234672 /nfs/dbraw/zinc/23/46/72/559234672.db2.gz JWHWEYMQKFERKY-LBPRGKRZSA-N 0 3 350.488 2.345 20 30 FEEDHN CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](NCCC(C)(C)C#N)C1=O ZINC000527193833 562279599 /nfs/dbraw/zinc/27/95/99/562279599.db2.gz YJUJSMKJJCSMFF-GJZGRUSLSA-N 0 3 351.491 2.483 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C)CN1 ZINC000415465016 559240016 /nfs/dbraw/zinc/24/00/16/559240016.db2.gz SAUFEKHFXLUGTR-RYUDHWBXSA-N 0 3 358.833 2.611 20 30 FEEDHN C[C@@H]1[C@H](C)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H]1C ZINC000419382946 559440374 /nfs/dbraw/zinc/44/03/74/559440374.db2.gz ZMSXDGOEJRPPET-WCXIOVBPSA-N 0 3 360.527 2.433 20 30 FEEDHN N#CCC[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CCCCC1)c1ccccc1 ZINC000419477976 559444442 /nfs/dbraw/zinc/44/44/42/559444442.db2.gz RZZXVULWFZKWQL-MSOLQXFVSA-N 0 3 356.470 2.171 20 30 FEEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420471382 559489327 /nfs/dbraw/zinc/48/93/27/559489327.db2.gz PXGHFYGMJHYDFQ-DOTOQJQBSA-N 0 3 359.426 2.121 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000421543603 559544876 /nfs/dbraw/zinc/54/48/76/559544876.db2.gz FECLANZLIBRKJM-MJGOQNOKSA-N 0 3 357.498 2.281 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000422529907 559593196 /nfs/dbraw/zinc/59/31/96/559593196.db2.gz PTIQFSMVAPOAMV-VQTJNVASSA-N 0 3 369.509 2.377 20 30 FEEDHN C=CCCCCCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000423349603 559626310 /nfs/dbraw/zinc/62/63/10/559626310.db2.gz XBUGKBCPFWETCM-FUHWJXTLSA-N 0 3 361.461 2.284 20 30 FEEDHN COc1cc(CN(C)C(=O)[C@H](N)CCCC#N)c(SC)cc1OC ZINC000424115389 559655318 /nfs/dbraw/zinc/65/53/18/559655318.db2.gz AJYAOOWGBZGJQC-CYBMUJFWSA-N 0 3 351.472 2.405 20 30 FEEDHN C=CCCn1cc(C(=O)NCc2ccc(OCCN3CCCC3)cc2)nn1 ZINC000424666888 559673034 /nfs/dbraw/zinc/67/30/34/559673034.db2.gz QCJQZOKUQLNEBH-UHFFFAOYSA-N 0 3 369.469 2.259 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000424927467 559680205 /nfs/dbraw/zinc/68/02/05/559680205.db2.gz WQASJQXOCOFVJY-HKUYNNGSSA-N 0 3 368.481 2.433 20 30 FEEDHN CN1CCN(CCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000425409190 559700696 /nfs/dbraw/zinc/70/06/96/559700696.db2.gz ADFZLFBJZYRJOF-SXLOBPIMSA-N 0 3 369.513 2.357 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H](n3ccnn3)C2)c(OC)c1 ZINC000425497091 559705638 /nfs/dbraw/zinc/70/56/38/559705638.db2.gz BYFLOAASGLAQAZ-ROUUACIJSA-N 0 3 372.469 2.092 20 30 FEEDHN N#C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC000425718623 559716001 /nfs/dbraw/zinc/71/60/01/559716001.db2.gz ABKPPXDIISPLRI-KFKAGJAMSA-N 0 3 356.470 2.135 20 30 FEEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425884967 559723957 /nfs/dbraw/zinc/72/39/57/559723957.db2.gz LBYKWPAEYYSXRA-LPHOPBHVSA-N 0 3 370.497 2.458 20 30 FEEDHN CN(C)C[C@H](O)COc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000426884145 559743728 /nfs/dbraw/zinc/74/37/28/559743728.db2.gz SAYZIUWXHRFBMC-SFHVURJKSA-N 0 3 353.422 2.041 20 30 FEEDHN C=CC[C@H](C(=O)NC1CCN(CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000426996779 559745343 /nfs/dbraw/zinc/74/53/43/559745343.db2.gz DUDPHSHDDFCSMG-IBGZPJMESA-N 0 3 357.498 2.405 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000431966712 559849568 /nfs/dbraw/zinc/84/95/68/559849568.db2.gz WSJPBRBFGJCCMW-HFSMHLIXSA-N 0 3 371.481 2.317 20 30 FEEDHN C=CCC(C)(C)CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000432074847 559851466 /nfs/dbraw/zinc/85/14/66/559851466.db2.gz HYKABRQFGXWISZ-UHFFFAOYSA-N 0 3 359.518 2.495 20 30 FEEDHN CCN(C(=O)C(C#N)CCc1ccccc1)[C@@H](C)CS(=O)(=O)CC ZINC000433352088 559877938 /nfs/dbraw/zinc/87/79/38/559877938.db2.gz HJNVZRNAUKJIGO-RDJZCZTQSA-N 0 3 350.484 2.431 20 30 FEEDHN COC(=O)[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1C ZINC000434983832 559913732 /nfs/dbraw/zinc/91/37/32/559913732.db2.gz UKAUQTZBRXKIEQ-YOEHRIQHSA-N 0 3 353.426 2.242 20 30 FEEDHN CC(C)(C)OC(=O)CN[C@@]1(C)CCN(CCCC2(C#N)CCOCC2)C1 ZINC000440502046 560012569 /nfs/dbraw/zinc/01/25/69/560012569.db2.gz RCFBJAPXFYGSJR-IBGZPJMESA-N 0 3 365.518 2.483 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1C#N ZINC000441595015 560035970 /nfs/dbraw/zinc/03/59/70/560035970.db2.gz YPFWKJKYSNAUDH-KRWDZBQOSA-N 0 3 364.449 2.094 20 30 FEEDHN COCCNS(=O)(=O)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443970162 560097858 /nfs/dbraw/zinc/09/78/58/560097858.db2.gz QBOIGANDJRJZEN-UHFFFAOYSA-N 0 3 373.478 2.081 20 30 FEEDHN CN(CCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)C1CC1 ZINC000444148232 560103089 /nfs/dbraw/zinc/10/30/89/560103089.db2.gz YGCXMWDOIPVQBO-UHFFFAOYSA-N 0 3 361.877 2.137 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000448731769 560196864 /nfs/dbraw/zinc/19/68/64/560196864.db2.gz AJNISYZEMNMGEA-UXHICEINSA-N 0 3 357.498 2.296 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448923920 560207081 /nfs/dbraw/zinc/20/70/81/560207081.db2.gz WNSHMZZVGXUAHH-UHFFFAOYSA-N 0 3 355.398 2.161 20 30 FEEDHN C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448982113 560210183 /nfs/dbraw/zinc/21/01/83/560210183.db2.gz WIUVMTRLOOCMMK-HIFRSBDPSA-N 0 3 374.872 2.117 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449171881 560218896 /nfs/dbraw/zinc/21/88/96/560218896.db2.gz BDKRRINNJDRJPJ-LBPRGKRZSA-N 0 3 366.259 2.300 20 30 FEEDHN CN(C)CCOc1ccc(CCNc2nc3c(cc2C#N)COCC3)cc1 ZINC000450315337 560258316 /nfs/dbraw/zinc/25/83/16/560258316.db2.gz PBXDZAQXICLEBF-UHFFFAOYSA-N 0 3 366.465 2.621 20 30 FEEDHN COc1cc(OC)c2ncc(C#N)c(NC[C@H]3CCCN3CCCO)c2c1 ZINC000450588525 560267183 /nfs/dbraw/zinc/26/71/83/560267183.db2.gz BOEAFSYRDIDQRD-OAHLLOKOSA-N 0 3 370.453 2.382 20 30 FEEDHN N#Cc1ccc(N2CCN([C@H]3CCNC(=O)CC3)CC2)cc1C(F)(F)F ZINC000450893221 560276895 /nfs/dbraw/zinc/27/68/95/560276895.db2.gz RCKHXWJANYSQSK-CQSZACIVSA-N 0 3 366.387 2.368 20 30 FEEDHN CC[C@H]1[C@H](CO)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451253353 560296069 /nfs/dbraw/zinc/29/60/69/560296069.db2.gz JNWGCEWMFDTREN-RDJZCZTQSA-N 0 3 368.399 2.266 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(CC#Cc3ccccc3)C2)CC1 ZINC000451529818 560312397 /nfs/dbraw/zinc/31/23/97/560312397.db2.gz OBQPMNKWVJADIN-QFIPXVFZSA-N 0 3 353.510 2.304 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000451682689 560321730 /nfs/dbraw/zinc/32/17/30/560321730.db2.gz SGUQENLFUBHDKZ-OLZOCXBDSA-N 0 3 352.456 2.495 20 30 FEEDHN C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453433062 560386533 /nfs/dbraw/zinc/38/65/33/560386533.db2.gz FWDGZEIIOXSTKE-OAHLLOKOSA-N 0 3 369.473 2.030 20 30 FEEDHN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453448478 560387004 /nfs/dbraw/zinc/38/70/04/560387004.db2.gz CLUYYQUWHSYBFC-SJORKVTESA-N 0 3 365.522 2.497 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453665634 560394743 /nfs/dbraw/zinc/39/47/43/560394743.db2.gz GUBHGGTYIYCGMR-MLGOLLRUSA-N 0 3 362.861 2.189 20 30 FEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756149 560401953 /nfs/dbraw/zinc/40/19/53/560401953.db2.gz PUQWSYXWYMQFRH-SUMWQHHRSA-N 0 3 374.872 2.430 20 30 FEEDHN C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000453884674 560410615 /nfs/dbraw/zinc/41/06/15/560410615.db2.gz XQEQXEGCHPYBOB-UHFFFAOYSA-N 0 3 358.486 2.095 20 30 FEEDHN C=C(C)CCNC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000455318764 560477807 /nfs/dbraw/zinc/47/78/07/560477807.db2.gz YTHXAYASBGWKHZ-UHFFFAOYSA-N 0 3 360.502 2.425 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)CC1 ZINC000455492917 560484438 /nfs/dbraw/zinc/48/44/38/560484438.db2.gz WSSLYMFIBZCTTN-UHFFFAOYSA-N 0 3 362.495 2.251 20 30 FEEDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455727230 560493070 /nfs/dbraw/zinc/49/30/70/560493070.db2.gz FVWGBGOKOTVTBP-MLGOLLRUSA-N 0 3 350.850 2.325 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455766835 560494267 /nfs/dbraw/zinc/49/42/67/560494267.db2.gz UDMSUFSRPHQDNT-UHFFFAOYSA-N 0 3 372.816 2.364 20 30 FEEDHN Cc1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)ncc1C#N ZINC000457622977 560578486 /nfs/dbraw/zinc/57/84/86/560578486.db2.gz TZJVGGWVPPVCPV-UHFFFAOYSA-N 0 3 364.449 2.148 20 30 FEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1CN(C2CCCCC2)C1 ZINC000457745727 560585412 /nfs/dbraw/zinc/58/54/12/560585412.db2.gz KMXKWWGTPMWGNW-UHFFFAOYSA-N 0 3 364.453 2.650 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C1CCN(OC)CC1)C(C)C ZINC000457750968 560585840 /nfs/dbraw/zinc/58/58/40/560585840.db2.gz OOCRVSIJPSFTMC-SFHVURJKSA-N 0 3 352.523 2.352 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCC(C)(C)CC#N ZINC000459231137 560675261 /nfs/dbraw/zinc/67/52/61/560675261.db2.gz GRQPGPDGYCSTGM-HXUWFJFHSA-N 0 3 358.486 2.205 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)NCC(C)(C)CC#N)CC2)C[C@@H](C)O1 ZINC000459251979 560676117 /nfs/dbraw/zinc/67/61/17/560676117.db2.gz BGCDEAPQLZJWQG-HZPDHXFCSA-N 0 3 350.507 2.457 20 30 FEEDHN CC(C)(CC#N)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000459257789 560676434 /nfs/dbraw/zinc/67/64/34/560676434.db2.gz KOROTWYWFAFNNR-QZTJIDSGSA-N 0 3 358.486 2.108 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NCc3cn4cccnc4n3)C2)c(F)c1 ZINC000459396824 560684196 /nfs/dbraw/zinc/68/41/96/560684196.db2.gz GFFCYMTVENIQAC-HNNXBMFYSA-N 0 3 350.401 2.499 20 30 FEEDHN CCCN(CCN1CCN(CC)CC1)C(=O)Nc1snc(C)c1C#N ZINC000459560755 560694065 /nfs/dbraw/zinc/69/40/65/560694065.db2.gz KRAPCAYUCOCOOL-UHFFFAOYSA-N 0 3 364.519 2.205 20 30 FEEDHN C[C@@H](CCCc1cccnc1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459634071 560698905 /nfs/dbraw/zinc/69/89/05/560698905.db2.gz HMICXDHYCXSAKO-HNNXBMFYSA-N 0 3 358.467 2.123 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2cc(C(=O)OC)on2)CC1 ZINC000460253350 560739536 /nfs/dbraw/zinc/73/95/36/560739536.db2.gz BESKBBFLKCAMAW-UHFFFAOYSA-N 0 3 364.446 2.036 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000469197712 560949698 /nfs/dbraw/zinc/94/96/98/560949698.db2.gz XPLCYXXEAWRJLK-NHCUHLMSSA-N 0 3 371.525 2.244 20 30 FEEDHN CN(CC(=O)Nc1cccc(F)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470743049 560988366 /nfs/dbraw/zinc/98/83/66/560988366.db2.gz FTPMBIJASOHCOV-MRXNPFEDSA-N 0 3 364.380 2.477 20 30 FEEDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000473267817 561046098 /nfs/dbraw/zinc/04/60/98/561046098.db2.gz FWEDEPBYTXZWAC-HXUWFJFHSA-N 0 3 371.437 2.163 20 30 FEEDHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000473506723 561051564 /nfs/dbraw/zinc/05/15/64/561051564.db2.gz NOXOYDFCBBZBOG-OALUTQOASA-N 0 3 369.513 2.421 20 30 FEEDHN C=CCOc1ccc(CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1OC ZINC000473837151 561058688 /nfs/dbraw/zinc/05/86/88/561058688.db2.gz RGXDBFSBAZHIIY-HOTGVXAUSA-N 0 3 368.499 2.210 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CCCN(C(C)=O)C1)C(C)C ZINC000474053337 561064428 /nfs/dbraw/zinc/06/44/28/561064428.db2.gz CWZIWFIUFAXNTO-MOPGFXCFSA-N 0 3 364.534 2.243 20 30 FEEDHN CC1CCN([C@H](CNC(=O)c2cnn(C)c2C#N)c2ccccc2)CC1 ZINC000475117970 561090846 /nfs/dbraw/zinc/09/08/46/561090846.db2.gz JFPNALKQNZQPKY-LJQANCHMSA-N 0 3 351.454 2.495 20 30 FEEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528358240 562324727 /nfs/dbraw/zinc/32/47/27/562324727.db2.gz KJAORAGAKRYMLY-UHOSZYNNSA-N 0 3 373.497 2.315 20 30 FEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000528420963 562328384 /nfs/dbraw/zinc/32/83/84/562328384.db2.gz MWGNADUIHSNMOM-DLBZAZTESA-N 0 3 352.434 2.035 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000528504227 562332823 /nfs/dbraw/zinc/33/28/23/562332823.db2.gz NCUILZPTGQOMJW-UXHICEINSA-N 0 3 363.461 2.435 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000528922664 562353062 /nfs/dbraw/zinc/35/30/62/562353062.db2.gz AGSBHSYEZZKZJR-IPJLKBMESA-N 0 3 371.437 2.095 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530026629 562395045 /nfs/dbraw/zinc/39/50/45/562395045.db2.gz MMHQIQMPCRNAQG-MRXNPFEDSA-N 0 3 356.470 2.341 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530026629 562395046 /nfs/dbraw/zinc/39/50/46/562395046.db2.gz MMHQIQMPCRNAQG-MRXNPFEDSA-N 0 3 356.470 2.341 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cncc(N2CCOCC2)c1 ZINC000534583132 562537390 /nfs/dbraw/zinc/53/73/90/562537390.db2.gz UQWXDDBWLBRSIC-MRXNPFEDSA-N 0 3 361.405 2.295 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3CCCC34CCN(C)CC4)cc2C1=O ZINC000536654799 562580400 /nfs/dbraw/zinc/58/04/00/562580400.db2.gz JZYSCWWZQFHENL-UHFFFAOYSA-N 0 3 367.449 2.169 20 30 FEEDHN CCOC(=O)c1c(NC(=O)C(C)C(F)(F)F)c(C#N)cn1CCOC ZINC000540734061 562592218 /nfs/dbraw/zinc/59/22/18/562592218.db2.gz HSBQLIIXEBTBRW-VIFPVBQESA-N 0 3 361.320 2.320 20 30 FEEDHN C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccc(C#N)cc1 ZINC000540789196 562593185 /nfs/dbraw/zinc/59/31/85/562593185.db2.gz RXBLAVGQMBIVMS-UWJYYQICSA-N 0 3 364.493 2.498 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000541135479 562604123 /nfs/dbraw/zinc/60/41/23/562604123.db2.gz VZONOKNWHRFXNV-UHFFFAOYSA-N 0 3 356.470 2.056 20 30 FEEDHN N#CC1(C[C@H](O)CN[C@H](CO)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000601968063 567889668 /nfs/dbraw/zinc/88/96/68/567889668.db2.gz LJOABJGRHDMFNC-JKSUJKDBSA-N 0 3 372.387 2.400 20 30 FEEDHN N#CC1(C[C@H](O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000601968557 567889946 /nfs/dbraw/zinc/88/99/46/567889946.db2.gz ORNWRTQURBRNLB-QGTPRVQTSA-N 0 3 366.408 2.456 20 30 FEEDHN CCNC(=O)COc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602517611 567986771 /nfs/dbraw/zinc/98/67/71/567986771.db2.gz HQILCTKCGJYILJ-MRXNPFEDSA-N 0 3 359.470 2.390 20 30 FEEDHN Cn1cc([C@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1 ZINC000568468360 568041480 /nfs/dbraw/zinc/04/14/80/568041480.db2.gz VYEUQALHOKRWCE-IEBWSBKVSA-N 0 3 354.454 2.157 20 30 FEEDHN CCCN1CCC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000604541744 568309733 /nfs/dbraw/zinc/30/97/33/568309733.db2.gz IQEARUQTZRPWLH-MOPGFXCFSA-N 0 3 358.461 2.409 20 30 FEEDHN COC(=O)c1ccc(NCCc2ccc(OCCN(C)C)cc2)c(C#N)n1 ZINC000569591017 568408693 /nfs/dbraw/zinc/40/86/93/568408693.db2.gz ROEZICISJOJRAH-UHFFFAOYSA-N 0 3 368.437 2.335 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000556636281 674409725 /nfs/dbraw/zinc/40/97/25/674409725.db2.gz GSDJSKRWMKRQHY-CVEARBPZSA-N 0 3 353.532 2.381 20 30 FEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000735420938 598430430 /nfs/dbraw/zinc/43/04/30/598430430.db2.gz VTVYEBHJKAXBMH-HNNXBMFYSA-N 0 3 371.489 2.295 20 30 FEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000735420938 598430432 /nfs/dbraw/zinc/43/04/32/598430432.db2.gz VTVYEBHJKAXBMH-HNNXBMFYSA-N 0 3 371.489 2.295 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000735420938 598430433 /nfs/dbraw/zinc/43/04/33/598430433.db2.gz VTVYEBHJKAXBMH-HNNXBMFYSA-N 0 3 371.489 2.295 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000735420938 598430435 /nfs/dbraw/zinc/43/04/35/598430435.db2.gz VTVYEBHJKAXBMH-HNNXBMFYSA-N 0 3 371.489 2.295 20 30 FEEDHN C=CCC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000819734492 607390369 /nfs/dbraw/zinc/39/03/69/607390369.db2.gz PEHTUXSUMQUFMU-WMLDXEAASA-N 0 3 364.457 2.402 20 30 FEEDHN C=CCC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1 ZINC000819734492 607390370 /nfs/dbraw/zinc/39/03/70/607390370.db2.gz PEHTUXSUMQUFMU-WMLDXEAASA-N 0 3 364.457 2.402 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCC(=O)N2)cc1Cl ZINC000808979089 674476870 /nfs/dbraw/zinc/47/68/70/674476870.db2.gz FBMYWUXAGXFONP-PWSUYJOCSA-N 0 3 363.801 2.055 20 30 FEEDHN Cc1ccnc(N(CC[NH+](C)C)Cc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826309440 609575936 /nfs/dbraw/zinc/57/59/36/609575936.db2.gz OVFKYUZNNPNOBT-UHFFFAOYSA-N 0 3 362.441 2.010 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2ccc(F)cc2Cl)CC1 ZINC000561414404 674663894 /nfs/dbraw/zinc/66/38/94/674663894.db2.gz AEMGFKTZGACLCK-UHFFFAOYSA-N 0 3 367.852 2.204 20 30 FEEDHN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)Sc1ccccc1 ZINC000562989868 674831657 /nfs/dbraw/zinc/83/16/57/674831657.db2.gz AMRRBLSFGJPILS-AWEZNQCLSA-N 0 3 361.492 2.497 20 30 FEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000563448252 674890388 /nfs/dbraw/zinc/89/03/88/674890388.db2.gz RYKMOASVRRVQOL-CYBMUJFWSA-N 0 3 362.861 2.387 20 30 FEEDHN CCC1(CC)[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)[C@H]1OC ZINC000564146260 674977827 /nfs/dbraw/zinc/97/78/27/674977827.db2.gz BRRIOMFUIHDPOW-KBRIMQKVSA-N 0 3 365.499 2.156 20 30 FEEDHN C[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000570739126 670761970 /nfs/dbraw/zinc/76/19/70/670761970.db2.gz QWCYZKBDYGTJES-YJBOKZPZSA-N 0 3 360.889 2.391 20 30 FEEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000571297419 670852024 /nfs/dbraw/zinc/85/20/24/670852024.db2.gz KGIAGXOLGGZKDV-IBGZPJMESA-N 0 3 355.463 2.268 20 30 FEEDHN N#CC(C(=O)COC[C@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000113653337 670886662 /nfs/dbraw/zinc/88/66/62/670886662.db2.gz CIURSDWAWVQIBL-VXGBXAGGSA-N 0 3 354.765 2.322 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCOc2c(Br)cccc21 ZINC000578620108 671677774 /nfs/dbraw/zinc/67/77/74/671677774.db2.gz OVZFMJPDMIQBRO-SWLSCSKDSA-N 0 3 368.275 2.069 20 30 FEEDHN N#CCC[C@H](C#N)CNC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000581095815 671862983 /nfs/dbraw/zinc/86/29/83/671862983.db2.gz DJUUKLAVYYUPOY-QGZVFWFLSA-N 0 3 360.483 2.014 20 30 FEEDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000582065786 671964680 /nfs/dbraw/zinc/96/46/80/671964680.db2.gz DWDMHYVXYFFPLS-STQMWFEESA-N 0 3 372.288 2.082 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000124990166 672004855 /nfs/dbraw/zinc/00/48/55/672004855.db2.gz QWTHBTBJXZMMPG-TZMCWYRMSA-N 0 3 352.818 2.277 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Br)s1 ZINC000173938504 672355919 /nfs/dbraw/zinc/35/59/19/672355919.db2.gz XIMWCCXZLSRBMX-ZJUUUORDSA-N 0 3 373.272 2.476 20 30 FEEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193402050 672722826 /nfs/dbraw/zinc/72/28/26/672722826.db2.gz USLVUNFYMNOGIS-SKDRFNHKSA-N 0 3 363.830 2.297 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000193422311 672723872 /nfs/dbraw/zinc/72/38/72/672723872.db2.gz ATVSVKLBFIFGIP-OAHLLOKOSA-N 0 3 357.435 2.133 20 30 FEEDHN N#Cc1cc(S(=O)(=O)NC2CCN(CC3CC3)CC2)ccc1Cl ZINC000193907622 672740579 /nfs/dbraw/zinc/74/05/79/672740579.db2.gz LHTBXPSUKVPGQT-UHFFFAOYSA-N 0 3 353.875 2.364 20 30 FEEDHN CN1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000592089451 672752714 /nfs/dbraw/zinc/75/27/14/672752714.db2.gz UMOYWNFFZKWZTC-MJGOQNOKSA-N 0 3 355.463 2.182 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(NC(=O)CCC)CC2)CC1 ZINC000592301937 672783208 /nfs/dbraw/zinc/78/32/08/672783208.db2.gz FTNGQXIROZWDTK-UHFFFAOYSA-N 0 3 350.507 2.117 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000246558437 672838908 /nfs/dbraw/zinc/83/89/08/672838908.db2.gz LRYBOIFQQZSSDH-NWANDNLSSA-N 0 3 350.365 2.320 20 30 FEEDHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594435946 673071697 /nfs/dbraw/zinc/07/16/97/673071697.db2.gz BJCRYVXZFLLNLF-HUUCEWRRSA-N 0 3 364.877 2.455 20 30 FEEDHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594445589 673073011 /nfs/dbraw/zinc/07/30/11/673073011.db2.gz IJEDLGUMIMBZAW-CJNGLKHVSA-N 0 3 366.487 2.113 20 30 FEEDHN CNC(=O)c1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000728763008 673210747 /nfs/dbraw/zinc/21/07/47/673210747.db2.gz ANQQMKAFMANUSA-CYBMUJFWSA-N 0 3 356.769 2.056 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000595256004 673214240 /nfs/dbraw/zinc/21/42/40/673214240.db2.gz IQRBPDZPWRQPDS-HUUCEWRRSA-N 0 3 366.259 2.370 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000730026379 673258109 /nfs/dbraw/zinc/25/81/09/673258109.db2.gz ZPYDCRDFOOUZCK-UHFFFAOYSA-N 0 3 354.495 2.193 20 30 FEEDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595630717 673276281 /nfs/dbraw/zinc/27/62/81/673276281.db2.gz BHWXFBVMVDMGON-MJEQTWJJSA-N 0 3 365.861 2.306 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](CO)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000613389983 676127085 /nfs/dbraw/zinc/12/70/85/676127085.db2.gz OMMWELGWFBFQPW-DNVCBOLYSA-N 0 3 358.463 2.086 20 30 FEEDHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538218479 673427483 /nfs/dbraw/zinc/42/74/83/673427483.db2.gz ZKGFXUDUMIDICE-UKRRQHHQSA-N 0 3 353.463 2.079 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000601421384 673859629 /nfs/dbraw/zinc/85/96/29/673859629.db2.gz FRVYBTDLHDFPSY-KRWDZBQOSA-N 0 3 351.447 2.112 20 30 FEEDHN N#Cc1cc(NC2CCN([C@H]3CCOC3)CC2)ncc1Br ZINC000603316029 673924690 /nfs/dbraw/zinc/92/46/90/673924690.db2.gz CACZTVABPGHNLU-ZDUSSCGKSA-N 0 3 351.248 2.381 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1c1cc(C#N)c(Br)cn1 ZINC000603364850 673926825 /nfs/dbraw/zinc/92/68/25/673926825.db2.gz DRJAJPBDKBEBSE-LBPRGKRZSA-N 0 3 365.275 2.405 20 30 FEEDHN CCOC(=O)[C@H]1[C@H](N[C@@H]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000818357221 675216020 /nfs/dbraw/zinc/21/60/20/675216020.db2.gz WXAZHCKLFWDEBI-GBJTYRQASA-N 0 3 351.447 2.209 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000818593072 675226844 /nfs/dbraw/zinc/22/68/44/675226844.db2.gz KJSHAZXDSCIHPN-UHFFFAOYSA-N 0 3 352.276 2.200 20 30 FEEDHN C#CCN(C)CCCNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000818611960 675228517 /nfs/dbraw/zinc/22/85/17/675228517.db2.gz JGQZPZNJBWZBIP-UHFFFAOYSA-N 0 3 350.409 2.084 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(Cl)cccc2OC)CC1 ZINC000635069243 677088914 /nfs/dbraw/zinc/08/89/14/677088914.db2.gz OOUJFTIWFNVSNM-UHFFFAOYSA-N 0 3 351.834 2.054 20 30 FEEDHN C=CCOCCCNCCS(=O)(=O)c1cccc(Br)c1 ZINC000656710506 677809049 /nfs/dbraw/zinc/80/90/49/677809049.db2.gz ZOWMNHCCHRRVQK-UHFFFAOYSA-N 0 3 362.289 2.405 20 30 FEEDHN N#CC(C(=O)CSCC(F)(F)F)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000762022863 680737978 /nfs/dbraw/zinc/73/79/78/680737978.db2.gz CCIRYVSAEHNCSL-JTQLQIEISA-N 0 3 374.340 2.401 20 30 FEEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@](=O)C1 ZINC000763878251 680794358 /nfs/dbraw/zinc/79/43/58/680794358.db2.gz NGLXWDSKCFBHMI-VXMWWYGOSA-N 0 3 361.492 2.173 20 30 FEEDHN Cn1ccc(C=NNC(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000749859815 680081801 /nfs/dbraw/zinc/08/18/01/680081801.db2.gz YLPQGPITFLITCJ-UHFFFAOYSA-N 0 3 355.511 2.488 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc(F)c1C#N ZINC000751499296 680183691 /nfs/dbraw/zinc/18/36/91/680183691.db2.gz WYXLQTAOUSIYSB-MGPQQGTHSA-N 0 3 353.463 2.342 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001022721361 680232055 /nfs/dbraw/zinc/23/20/55/680232055.db2.gz QIHCXXWYAPDBHR-CWRNSKLLSA-N 0 3 367.921 2.166 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)CCn2cc(Cl)cn2)C1 ZINC001027586286 680360749 /nfs/dbraw/zinc/36/07/49/680360749.db2.gz ZESGREVWULHXSY-BBWFWOEESA-N 0 3 366.893 2.050 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998139868 680377559 /nfs/dbraw/zinc/37/75/59/680377559.db2.gz SQHFKVUFNAMYRN-IRXDYDNUSA-N 0 3 364.515 2.238 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](CC)OC ZINC001029508650 680389877 /nfs/dbraw/zinc/38/98/77/680389877.db2.gz NKDAMKUGQRMDRY-LFDJNIOPSA-N 0 3 350.503 2.458 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCc1ccccc1Br ZINC000836263599 680442564 /nfs/dbraw/zinc/44/25/64/680442564.db2.gz ZWXTWOTZJVMQKK-UHFFFAOYSA-N 0 3 352.276 2.246 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000836317619 680450238 /nfs/dbraw/zinc/45/02/38/680450238.db2.gz GFDHUPNVUBZBMK-UONOGXRCSA-N 0 3 354.495 2.238 20 30 FEEDHN CN1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)C1=O ZINC000756034307 680455382 /nfs/dbraw/zinc/45/53/82/680455382.db2.gz IBFZDOOONPOEBN-GFCCVEGCSA-N 0 3 356.451 2.025 20 30 FEEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001039131823 680462165 /nfs/dbraw/zinc/46/21/65/680462165.db2.gz WTVYSVPKUCONCN-KBRIMQKVSA-N 0 3 367.921 2.214 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000836488801 680476176 /nfs/dbraw/zinc/47/61/76/680476176.db2.gz OFIJCQYFWBDBAT-UHFFFAOYSA-N 0 3 362.543 2.093 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043511159 680584857 /nfs/dbraw/zinc/58/48/57/680584857.db2.gz GIEXHWRZCRDUDL-XJKCOSOUSA-N 0 3 361.877 2.350 20 30 FEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001046979561 680655631 /nfs/dbraw/zinc/65/56/31/680655631.db2.gz BUAAVOUHMHSWEB-ULQDDVLXSA-N 0 3 354.441 2.454 20 30 FEEDHN CCN(CC)CCS(=O)(=O)Oc1cc(Br)ccc1C#N ZINC000841532228 680893081 /nfs/dbraw/zinc/89/30/81/680893081.db2.gz YLNLVTNLTRVRBQ-UHFFFAOYSA-N 0 3 361.261 2.371 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@@H]1N(C)C ZINC000841713508 680908888 /nfs/dbraw/zinc/90/88/88/680908888.db2.gz OZFKEPKVTBICIG-IRXDYDNUSA-N 0 3 361.515 2.442 20 30 FEEDHN N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H]3CNCCO3)c2)s1 ZINC000841831478 680914175 /nfs/dbraw/zinc/91/41/75/680914175.db2.gz UMSXWXMTOUJICV-HNNXBMFYSA-N 0 3 356.451 2.074 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000843930596 681026700 /nfs/dbraw/zinc/02/67/00/681026700.db2.gz TWZCEIFHLAIDNX-GJZGRUSLSA-N 0 3 351.491 2.140 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCC[C@H]2CC2(Cl)Cl)nc1 ZINC000844277448 681047360 /nfs/dbraw/zinc/04/73/60/681047360.db2.gz LGVCLWJQKGZBTI-LBPRGKRZSA-N 0 3 362.282 2.291 20 30 FEEDHN Cc1nsc(NC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)c1C#N ZINC001054571911 681113529 /nfs/dbraw/zinc/11/35/29/681113529.db2.gz QSOFRRUPQDMGOS-VNHYZAJKSA-N 0 3 361.515 2.314 20 30 FEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000845442661 681128094 /nfs/dbraw/zinc/12/80/94/681128094.db2.gz OHPGMZXKQWLYTP-DGCLKSJQSA-N 0 3 363.211 2.303 20 30 FEEDHN CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000934192821 681522883 /nfs/dbraw/zinc/52/28/83/681522883.db2.gz BYVBVXIRTCKSCJ-DLBZAZTESA-N 0 3 362.495 2.086 20 30 FEEDHN CC(C)NS(=O)(=O)c1ccc(N=NC2CCCN3CCCC[C@H]23)nc1 ZINC000848404606 681535717 /nfs/dbraw/zinc/53/57/17/681535717.db2.gz MUGXETFTTKUIJJ-MRXNPFEDSA-N 0 3 365.503 2.185 20 30 FEEDHN Cn1cc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000850760131 681956678 /nfs/dbraw/zinc/95/66/78/681956678.db2.gz WDOVFMPMWZHPEE-NSHDSACASA-N 0 3 366.208 2.402 20 30 FEEDHN C[C@H](CC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000850976389 681992427 /nfs/dbraw/zinc/99/24/27/681992427.db2.gz CQPKMRBFRWSVNS-NDGTYSDOSA-N 0 3 350.365 2.495 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000915040840 685511340 /nfs/dbraw/zinc/51/13/40/685511340.db2.gz IKYSBGJBWOJNKJ-UHFFFAOYSA-N 0 3 361.511 2.469 20 30 FEEDHN COC(=O)C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000916985073 685528835 /nfs/dbraw/zinc/52/88/35/685528835.db2.gz ZXHMXZITJVJMSZ-CYBMUJFWSA-N 0 3 357.435 2.358 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(OC)cc1Br ZINC000854663663 682577104 /nfs/dbraw/zinc/57/71/04/682577104.db2.gz CCWBMMVZHCMXAG-UHFFFAOYSA-N 0 3 367.287 2.462 20 30 FEEDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(C#N)c(Cl)n1 ZINC000856410599 682777427 /nfs/dbraw/zinc/77/74/27/682777427.db2.gz KXFHFKIEBAZKTE-AWEZNQCLSA-N 0 3 362.861 2.322 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000794165082 682942312 /nfs/dbraw/zinc/94/23/12/682942312.db2.gz OBUAHYGUUNAXJC-LBPRGKRZSA-N 0 3 350.260 2.367 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](O)[C@@H]1CCCO1 ZINC000858226492 682946931 /nfs/dbraw/zinc/94/69/31/682946931.db2.gz OEDGDMLGOPHUNQ-ZBFHGGJFSA-N 0 3 354.244 2.091 20 30 FEEDHN CN(CCC(=O)C(C#N)C(=O)NC1CCCCC1)C(=O)OC(C)(C)C ZINC000796790633 683195922 /nfs/dbraw/zinc/19/59/22/683195922.db2.gz TVJRDIAZBVZNTP-AWEZNQCLSA-N 0 3 351.447 2.401 20 30 FEEDHN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000860472943 683248639 /nfs/dbraw/zinc/24/86/39/683248639.db2.gz GOMMMEJRSNMSFZ-KBPBESRZSA-N 0 3 351.447 2.303 20 30 FEEDHN Cn1nncc1C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000798817339 683394312 /nfs/dbraw/zinc/39/43/12/683394312.db2.gz WVULFGZRVNPHPW-SNVBAGLBSA-N 0 3 351.338 2.091 20 30 FEEDHN C=CCN1CC[C@H](N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000798956598 683408363 /nfs/dbraw/zinc/40/83/63/683408363.db2.gz FXBOBWKIVLZVDB-INIZCTEOSA-N 0 3 351.491 2.352 20 30 FEEDHN Cc1nnc(C=NNC(=S)NC2CCN(Cc3ccccc3)CC2)s1 ZINC000863069309 683675219 /nfs/dbraw/zinc/67/52/19/683675219.db2.gz VBULKTITFFAWGI-UHFFFAOYSA-N 0 3 374.539 2.309 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000869705612 684645359 /nfs/dbraw/zinc/64/53/59/684645359.db2.gz FMNMJUCTCAPTNN-MRXNPFEDSA-N 0 3 354.372 2.200 20 30 FEEDHN CC(C)(O)CN1CC[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000869779057 684654725 /nfs/dbraw/zinc/65/47/25/684654725.db2.gz SMBCHJIUAWPHNR-HNNXBMFYSA-N 0 3 354.372 2.018 20 30 FEEDHN C=CCNC(=O)CN[C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872058300 684917439 /nfs/dbraw/zinc/91/74/39/684917439.db2.gz QTJJKTLYADPLQQ-XJKSGUPXSA-N 0 3 353.260 2.419 20 30 FEEDHN C#C[C@H]1CC[C@H](NCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000873198621 685094466 /nfs/dbraw/zinc/09/44/66/685094466.db2.gz SCRWZFLPIMNPQD-RBSFLKMASA-N 0 3 369.918 2.486 20 30 FEEDHN N#CC(C(=O)Cn1nc(C(F)F)cc1C1CC1)C(=O)NC1CCCC1 ZINC000873497943 685143515 /nfs/dbraw/zinc/14/35/15/685143515.db2.gz MXLRRFREEOFWRL-LBPRGKRZSA-N 0 3 350.369 2.466 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC)CC ZINC000876557255 686219622 /nfs/dbraw/zinc/21/96/22/686219622.db2.gz DCIUSCHQJAKQML-HOTGVXAUSA-N 0 3 351.878 2.052 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000876590436 686225983 /nfs/dbraw/zinc/22/59/83/686225983.db2.gz WVNQJZMGVRSSAR-OAHLLOKOSA-N 0 3 370.280 2.023 20 30 FEEDHN CN(C)[C@H](CNC(=O)[C@H]1NCCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722801 686253221 /nfs/dbraw/zinc/25/32/21/686253221.db2.gz FMUMMHRKVPKYAC-MSOLQXFVSA-N 0 3 354.479 2.226 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000876781417 686267542 /nfs/dbraw/zinc/26/75/42/686267542.db2.gz LAAWVJDSRCWVSK-KSZLIROESA-N 0 3 365.905 2.252 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(NS(C)(=O)=O)c1 ZINC000876907356 686292468 /nfs/dbraw/zinc/29/24/68/686292468.db2.gz QKWCETYQMPLVLG-CQSZACIVSA-N 0 3 351.472 2.247 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883096602 687563497 /nfs/dbraw/zinc/56/34/97/687563497.db2.gz MAEWWFSYGZNHJO-RNCFNFMXSA-N 0 3 364.247 2.320 20 30 FEEDHN CCN(C(=O)Nc1ccc(Br)c(C#N)n1)[C@H]1CCN(C)C1 ZINC000883117286 687569547 /nfs/dbraw/zinc/56/95/47/687569547.db2.gz VUGRWSZTMVNHHT-JTQLQIEISA-N 0 3 352.236 2.274 20 30 FEEDHN COc1ccc(CNCC[C@H]2CCCS2(=O)=O)cc1OCCCC#N ZINC000883300291 687603493 /nfs/dbraw/zinc/60/34/93/687603493.db2.gz SSMUHIPCHDOGTK-MRXNPFEDSA-N 0 3 366.483 2.435 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCc1ccc(Br)cc1)C2 ZINC000884070931 687783071 /nfs/dbraw/zinc/78/30/71/687783071.db2.gz CLFQKAPRFMBZCW-XOYHFGRZSA-N 0 3 362.271 2.247 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)CC1 ZINC000884131240 687796712 /nfs/dbraw/zinc/79/67/12/687796712.db2.gz GHXUTHXIKZOCHN-IEZWGBDMSA-N 0 3 351.491 2.053 20 30 FEEDHN CSC1(CNS(=O)(=O)c2ccc(CCC#N)cc2)CCN(C)CC1 ZINC000885196418 688031478 /nfs/dbraw/zinc/03/14/78/688031478.db2.gz XSBZCTZQQXGHPV-UHFFFAOYSA-N 0 3 367.540 2.248 20 30 FEEDHN C#CCN(C(=O)Cn1nc(C(F)F)cc1C1CC1)C1CCN(C)CC1 ZINC000886572305 688278424 /nfs/dbraw/zinc/27/84/24/688278424.db2.gz HLQKKTUXNFEFRT-UHFFFAOYSA-N 0 3 350.413 2.254 20 30 FEEDHN C#CCN(C(=O)CCc1nc(-c2cccs2)no1)C1CCN(C)CC1 ZINC000886586986 688280448 /nfs/dbraw/zinc/28/04/48/688280448.db2.gz BBKGKGKAHCITFI-UHFFFAOYSA-N 0 3 358.467 2.287 20 30 FEEDHN C#CCC1(NCC(=O)Nc2sccc2C(=O)OCC)CCOCC1 ZINC000887125766 688370356 /nfs/dbraw/zinc/37/03/56/688370356.db2.gz IMIJRANQFQIYRS-UHFFFAOYSA-N 0 3 350.440 2.025 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)c2cc(F)ccc2F)CC1 ZINC000892851071 689252987 /nfs/dbraw/zinc/25/29/87/689252987.db2.gz BFJKQNMOBQPRAN-KRWDZBQOSA-N 0 3 353.413 2.338 20 30 FEEDHN Cn1ncc(I)c1CNCC1CCC(C#N)CC1 ZINC000894657099 689573913 /nfs/dbraw/zinc/57/39/13/689573913.db2.gz OTDNUXODSLPACT-UHFFFAOYSA-N 0 3 358.227 2.444 20 30 FEEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)nn1 ZINC000895005774 689638854 /nfs/dbraw/zinc/63/88/54/689638854.db2.gz HSJDOFNEEDWEJX-BNOWGMLFSA-N 0 3 360.380 2.464 20 30 FEEDHN N#Cc1cc(Br)ccc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897221573 689990186 /nfs/dbraw/zinc/99/01/86/689990186.db2.gz NISASRCRIZRKHQ-CVEARBPZSA-N 0 3 350.260 2.356 20 30 FEEDHN N#CCc1cncc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903039 721549495 /nfs/dbraw/zinc/54/94/95/721549495.db2.gz BVLPVOLUVBLLDF-WMZOPIPTSA-N 0 3 353.401 2.024 20 30 FEEDHN N#Cc1cc(F)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981563 722105416 /nfs/dbraw/zinc/10/54/16/722105416.db2.gz LSIOBGVRRSOFAP-VQIMIIECSA-N 0 3 367.428 2.215 20 30 FEEDHN Cc1ccc(C#N)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982307 722106043 /nfs/dbraw/zinc/10/60/43/722106043.db2.gz NKMIKTUPVATYIY-PMACEKPBSA-N 0 3 363.465 2.384 20 30 FEEDHN COCCNc1nnc(SCC(=O)C(C#N)c2nc(C)cs2)s1 ZINC000007837165 539469057 /nfs/dbraw/zinc/46/90/57/539469057.db2.gz QCNQRHZWDPQCRP-VIFPVBQESA-N 0 3 369.497 2.330 20 30 FEEDHN N#CC(C(=O)COc1ccsc1)C(=O)NCc1ccc(F)c(F)c1 ZINC000800410674 674049984 /nfs/dbraw/zinc/04/99/84/674049984.db2.gz ZADJSLYRCOTADK-GFCCVEGCSA-N 0 3 350.346 2.430 20 30 FEEDHN COC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)cc1 ZINC000026328306 539783659 /nfs/dbraw/zinc/78/36/59/539783659.db2.gz GNKXRKDINKCAFE-SFHVURJKSA-N 0 3 354.406 2.217 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCC[C@H](C)C3)CC2)o1 ZINC000029820691 539865370 /nfs/dbraw/zinc/86/53/70/539865370.db2.gz YROXLTRLTOTOCT-HOCLYGCPSA-N 0 3 359.474 2.014 20 30 FEEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC000041518166 540023909 /nfs/dbraw/zinc/02/39/09/540023909.db2.gz PNLZTJGNOVBZDS-AWEZNQCLSA-N 0 3 361.448 2.482 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000047214017 540297043 /nfs/dbraw/zinc/29/70/43/540297043.db2.gz JTQSWYUBACNTSJ-OAHLLOKOSA-N 0 3 372.513 2.424 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000047214017 540297045 /nfs/dbraw/zinc/29/70/45/540297045.db2.gz JTQSWYUBACNTSJ-OAHLLOKOSA-N 0 3 372.513 2.424 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000052593989 540476557 /nfs/dbraw/zinc/47/65/57/540476557.db2.gz MJRDMEOVZAJQPS-OAHLLOKOSA-N 0 3 359.449 2.013 20 30 FEEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Cn1cccn1 ZINC000054577946 540596786 /nfs/dbraw/zinc/59/67/86/540596786.db2.gz FJKVFVWMSHHCJU-QGZVFWFLSA-N 0 3 368.485 2.164 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)CC1 ZINC000057170960 540775012 /nfs/dbraw/zinc/77/50/12/540775012.db2.gz XVMIATPXDWEUOP-UHFFFAOYSA-N 0 3 368.525 2.108 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000057374945 540792004 /nfs/dbraw/zinc/79/20/04/540792004.db2.gz YRTHPFUYRJAGFL-IBGZPJMESA-N 0 3 372.513 2.423 20 30 FEEDHN CC(=O)NCCCCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930663 541272251 /nfs/dbraw/zinc/27/22/51/541272251.db2.gz VLAKYWRAMQLOBT-UHFFFAOYSA-N 0 3 358.486 2.145 20 30 FEEDHN Cc1[nH]nc2ncc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc12 ZINC000065930455 541272512 /nfs/dbraw/zinc/27/25/12/541272512.db2.gz NBKBCDPYVGOGEN-UHFFFAOYSA-N 0 3 362.437 2.342 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccccc2N2CCN(CC)CC2)CC1 ZINC000067143434 541424020 /nfs/dbraw/zinc/42/40/20/541424020.db2.gz MMLUWESEFSTMRD-UHFFFAOYSA-N 0 3 354.498 2.112 20 30 FEEDHN Cc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000068038692 541540901 /nfs/dbraw/zinc/54/09/01/541540901.db2.gz OXYGTYWXFPESDP-UHFFFAOYSA-N 0 3 370.478 2.419 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1CCC(C(=O)NC)CC1)C(C)C ZINC000068886908 541637435 /nfs/dbraw/zinc/63/74/35/541637435.db2.gz DEEZYHCERVBGAD-ABHNRTSZSA-N 0 3 364.534 2.289 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000071009734 541758216 /nfs/dbraw/zinc/75/82/16/541758216.db2.gz XCGLWBMHWVFAIC-MRXNPFEDSA-N 0 3 372.469 2.156 20 30 FEEDHN C=CCNC(=O)NC(=O)CN(C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000072801775 541868089 /nfs/dbraw/zinc/86/80/89/541868089.db2.gz OQTWEJSNOCMNQA-UHFFFAOYSA-N 0 3 364.877 2.252 20 30 FEEDHN CCC[C@]1(C)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072896281 541890329 /nfs/dbraw/zinc/89/03/29/541890329.db2.gz FYFMXINYTICVCO-HXUWFJFHSA-N 0 3 373.501 2.406 20 30 FEEDHN COC(=O)[C@H]1CCC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000073108034 541918620 /nfs/dbraw/zinc/91/86/20/541918620.db2.gz YBQSNTCOYQAGJM-OALUTQOASA-N 0 3 371.481 2.428 20 30 FEEDHN CN(C)C(=O)C1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000074021752 542026938 /nfs/dbraw/zinc/02/69/38/542026938.db2.gz KUCDGSAULWLMLV-UHFFFAOYSA-N 0 3 362.861 2.340 20 30 FEEDHN CN(C)CCN(Cc1ccccn1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000074736691 542115820 /nfs/dbraw/zinc/11/58/20/542115820.db2.gz LMTWEOKTOQHHAR-UHFFFAOYSA-N 0 3 367.453 2.105 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000075265220 542164514 /nfs/dbraw/zinc/16/45/14/542164514.db2.gz JIKYRBROSKPWGM-KFKAGJAMSA-N 0 3 368.481 2.068 20 30 FEEDHN N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000076981832 542338178 /nfs/dbraw/zinc/33/81/78/542338178.db2.gz UYJMHZPOAGXRFU-MRXNPFEDSA-N 0 3 371.460 2.013 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055749240 221073375 /nfs/dbraw/zinc/07/33/75/221073375.db2.gz QPYZMQCWPONWBV-ZNMIVQPWSA-N 0 3 372.513 2.279 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055749240 221073378 /nfs/dbraw/zinc/07/33/78/221073378.db2.gz QPYZMQCWPONWBV-ZNMIVQPWSA-N 0 3 372.513 2.279 20 30 FEEDHN C[C@H](C#N)CN(C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000079351770 542513849 /nfs/dbraw/zinc/51/38/49/542513849.db2.gz CRWKTQIVEKXFFZ-IEBWSBKVSA-N 0 3 357.502 2.166 20 30 FEEDHN N#CC(C(=O)c1cnn(CC(=O)NC2CCCCC2)c1)c1ccccn1 ZINC000080255658 542579055 /nfs/dbraw/zinc/57/90/55/542579055.db2.gz NWTVGBZDRPCKRT-MRXNPFEDSA-N 0 3 351.410 2.217 20 30 FEEDHN CCSCC[C@@H](C)N(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091623538 542816754 /nfs/dbraw/zinc/81/67/54/542816754.db2.gz MYCPPHBSHOYCAQ-SJORKVTESA-N 0 3 354.564 2.142 20 30 FEEDHN CN(CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1CC1 ZINC000092242709 542850986 /nfs/dbraw/zinc/85/09/86/542850986.db2.gz ABZNVRCZLYBMDV-UHFFFAOYSA-N 0 3 357.458 2.037 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000103206450 543097129 /nfs/dbraw/zinc/09/71/29/543097129.db2.gz BAWRMTPZZGQLBT-MRXNPFEDSA-N 0 3 360.527 2.040 20 30 FEEDHN C=CCSCCNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000104795125 543144384 /nfs/dbraw/zinc/14/43/84/543144384.db2.gz WBBOBHCDUOBFFO-UHFFFAOYSA-N 0 3 363.527 2.362 20 30 FEEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCCNC1=O ZINC000105613830 543177927 /nfs/dbraw/zinc/17/79/27/543177927.db2.gz RIUNZZIMXZDOLC-AWEZNQCLSA-N 0 3 360.483 2.038 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N(C)C3CCN(CC)CC3)cc2C1=O ZINC000105599754 543177435 /nfs/dbraw/zinc/17/74/35/543177435.db2.gz XODMSBMVYUOBBO-UHFFFAOYSA-N 0 3 355.438 2.025 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCCNC(=O)c2ccc(F)cc2)CC1 ZINC000106034246 543186206 /nfs/dbraw/zinc/18/62/06/543186206.db2.gz ZHLOPFOYBYLZBF-UHFFFAOYSA-N 0 3 361.461 2.492 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(CC(=O)OC)cs2)CC1 ZINC000106252932 543220861 /nfs/dbraw/zinc/22/08/61/543220861.db2.gz ZLHIKAQVTGFZAE-UHFFFAOYSA-N 0 3 352.460 2.021 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000106268513 543221775 /nfs/dbraw/zinc/22/17/75/543221775.db2.gz JBEBGCHXCDUMGN-UHFFFAOYSA-N 0 3 374.485 2.493 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)c1cccc(OC)c1 ZINC000106329728 543223360 /nfs/dbraw/zinc/22/33/60/543223360.db2.gz CCYFWCDDUFAOTJ-MSOLQXFVSA-N 0 3 360.458 2.012 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000106341116 543224785 /nfs/dbraw/zinc/22/47/85/543224785.db2.gz IATUBEYUDGFLGB-UHFFFAOYSA-N 0 3 366.487 2.220 20 30 FEEDHN CC(C)(C)[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)C(N)=O ZINC000106444725 543230090 /nfs/dbraw/zinc/23/00/90/543230090.db2.gz LSNVVMMINNAXNI-OAHLLOKOSA-N 0 3 362.499 2.317 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000106962141 543258384 /nfs/dbraw/zinc/25/83/84/543258384.db2.gz JDPINBWFLMMLOM-MRXNPFEDSA-N 0 3 357.454 2.323 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)N(C)Cc1ccccc1 ZINC000111910984 543424528 /nfs/dbraw/zinc/42/45/28/543424528.db2.gz QKCDCGBPBUVOME-AWEZNQCLSA-N 0 3 368.412 2.273 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(C)C ZINC000112919768 543468465 /nfs/dbraw/zinc/46/84/65/543468465.db2.gz YCHZJZGGGBJZAX-GOSISDBHSA-N 0 3 369.465 2.341 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)NCCN3CCCC[C@H]3CC)cc2C1=O ZINC000113199024 543476713 /nfs/dbraw/zinc/47/67/13/543476713.db2.gz DOCYYADPFNZUKW-MRXNPFEDSA-N 0 3 369.465 2.463 20 30 FEEDHN C[C@H](NC1(CNS(=O)(=O)CCCC#N)CCOCC1)c1ccccc1 ZINC000113306265 543483785 /nfs/dbraw/zinc/48/37/85/543483785.db2.gz CWAHBRDVIKMDMJ-INIZCTEOSA-N 0 3 365.499 2.110 20 30 FEEDHN C#CCOc1ccc(CNCc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000113324105 543483994 /nfs/dbraw/zinc/48/39/94/543483994.db2.gz VLSWJNVLXLBWQT-UHFFFAOYSA-N 0 3 352.434 2.455 20 30 FEEDHN CCCN1CCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000123993832 543795190 /nfs/dbraw/zinc/79/51/90/543795190.db2.gz DRQUQCVOHQTGQF-FQEVSTJZSA-N 0 3 354.498 2.467 20 30 FEEDHN C=CCCOCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000127231620 543979617 /nfs/dbraw/zinc/97/96/17/543979617.db2.gz BICPRBPVYWGXEB-IAGOWNOFSA-N 0 3 353.507 2.110 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cn(Cc3cccc(F)c3)nn2)CC1 ZINC000128911662 544080268 /nfs/dbraw/zinc/08/02/68/544080268.db2.gz YUJIFPCQQYVUBL-UHFFFAOYSA-N 0 3 357.433 2.236 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1c1nncn1C)C(C)C ZINC000130077927 544138053 /nfs/dbraw/zinc/13/80/53/544138053.db2.gz CXOCIXTYAUYOMU-IRXDYDNUSA-N 0 3 360.506 2.360 20 30 FEEDHN C[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)CN1CCN(C)CC1 ZINC000133827115 544284474 /nfs/dbraw/zinc/28/44/74/544284474.db2.gz YJOXCLCYYXAATE-HKUYNNGSSA-N 0 3 357.502 2.214 20 30 FEEDHN CN(C)CCn1nnnc1SCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000135292233 544340384 /nfs/dbraw/zinc/34/03/84/544340384.db2.gz LRDCZSRJHDIQON-UHFFFAOYSA-N 0 3 371.388 2.277 20 30 FEEDHN CCOc1ccnc(N2CCCN(CCOc3cccc(C#N)c3)CC2)n1 ZINC000135796391 544361408 /nfs/dbraw/zinc/36/14/08/544361408.db2.gz OHUWFSIHYPVBMQ-UHFFFAOYSA-N 0 3 367.453 2.338 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)c(F)c1 ZINC000136226301 544369238 /nfs/dbraw/zinc/36/92/38/544369238.db2.gz OIKIJJUXRJFNHJ-HNNXBMFYSA-N 0 3 358.417 2.113 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151867138 544590132 /nfs/dbraw/zinc/59/01/32/544590132.db2.gz FQVRITARQINFCX-ZIFCJYIRSA-N 0 3 356.422 2.479 20 30 FEEDHN CN1CCC(Oc2ccc(NC(=O)COc3ccccc3C#N)cn2)CC1 ZINC000153080254 544731058 /nfs/dbraw/zinc/73/10/58/544731058.db2.gz LNCBLYPXSJOUGK-UHFFFAOYSA-N 0 3 366.421 2.444 20 30 FEEDHN C[C@@H](C(=O)NCc1ccccc1Cl)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153325843 544761528 /nfs/dbraw/zinc/76/15/28/544761528.db2.gz BFKUEUXDAIXQPJ-LBPRGKRZSA-N 0 3 374.876 2.086 20 30 FEEDHN N#Cc1ccc(CN2CCC(Nc3ccc(OCC(N)=O)cc3)CC2)cc1 ZINC000182940226 327794477 /nfs/dbraw/zinc/79/44/77/327794477.db2.gz VVABPAAOCYDGOW-UHFFFAOYSA-N 0 3 364.449 2.499 20 30 FEEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183023593 327797989 /nfs/dbraw/zinc/79/79/89/327797989.db2.gz IKEFBWDTLJJYCR-GOSISDBHSA-N 0 3 359.451 2.325 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000188422248 328086127 /nfs/dbraw/zinc/08/61/27/328086127.db2.gz DZHCBOYZZFKZDI-MOPGFXCFSA-N 0 3 358.486 2.183 20 30 FEEDHN Cn1cc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000190868117 328237067 /nfs/dbraw/zinc/23/70/67/328237067.db2.gz RYFKXAJSOWJMHU-HNNXBMFYSA-N 0 3 353.344 2.445 20 30 FEEDHN COCCCOCCN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000091102460 325374869 /nfs/dbraw/zinc/37/48/69/325374869.db2.gz HGFDNBPXCOAOMA-UHFFFAOYSA-N 0 3 365.499 2.422 20 30 FEEDHN CCc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n(C)n1 ZINC000116509809 326019466 /nfs/dbraw/zinc/01/94/66/326019466.db2.gz PKPHZWRVMNEMFI-UHFFFAOYSA-N 0 3 354.458 2.450 20 30 FEEDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000118118004 326083416 /nfs/dbraw/zinc/08/34/16/326083416.db2.gz RTEVXNVJCAVLII-CQSZACIVSA-N 0 3 360.458 2.130 20 30 FEEDHN N#Cc1ccc(OCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866572 326109904 /nfs/dbraw/zinc/10/99/04/326109904.db2.gz ADMRUAZNKIHMGF-HNNXBMFYSA-N 0 3 353.382 2.427 20 30 FEEDHN CC(C)C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000120296404 326247076 /nfs/dbraw/zinc/24/70/76/326247076.db2.gz BHZLXJIRZCFOPZ-HNNXBMFYSA-N 0 3 353.463 2.344 20 30 FEEDHN CC(C)C[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000120296404 326247078 /nfs/dbraw/zinc/24/70/78/326247078.db2.gz BHZLXJIRZCFOPZ-HNNXBMFYSA-N 0 3 353.463 2.344 20 30 FEEDHN CCC[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000121010074 326305961 /nfs/dbraw/zinc/30/59/61/326305961.db2.gz XCJRXKDDNDKYQP-MRXNPFEDSA-N 0 3 359.474 2.015 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000127735378 326511567 /nfs/dbraw/zinc/51/15/67/326511567.db2.gz ICVQUAIKXCOQDG-ZWKOTPCHSA-N 0 3 358.467 2.302 20 30 FEEDHN COc1c(CNC2CCN(Cc3ccc(C#N)cc3)CC2)c(C)nn1C ZINC000162390719 327024478 /nfs/dbraw/zinc/02/44/78/327024478.db2.gz PTGCIBKDVZWIGH-UHFFFAOYSA-N 0 3 353.470 2.363 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000162996237 327040061 /nfs/dbraw/zinc/04/00/61/327040061.db2.gz KWBPTZWCILVFAH-SJLPKXTDSA-N 0 3 369.465 2.421 20 30 FEEDHN N#Cc1ccc(CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC000170924439 327107732 /nfs/dbraw/zinc/10/77/32/327107732.db2.gz DLILPWINRHIDJE-UHFFFAOYSA-N 0 3 363.461 2.374 20 30 FEEDHN COc1ccc(CNCc2cccnc2N2CCN(C)CC2)cc1C#N ZINC000174310622 327318730 /nfs/dbraw/zinc/31/87/30/327318730.db2.gz GHGNJBMFSPKSQA-UHFFFAOYSA-N 0 3 351.454 2.003 20 30 FEEDHN CN1CCC(NC(=O)Nc2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CC1 ZINC000175723263 327409014 /nfs/dbraw/zinc/40/90/14/327409014.db2.gz RIBFODPSIURPAL-UHFFFAOYSA-N 0 3 366.425 2.354 20 30 FEEDHN CCO[C@@H]1C[C@H](O)C12CCN(CCOc1ccc(C#N)cc1OC)CC2 ZINC000265954125 329176122 /nfs/dbraw/zinc/17/61/22/329176122.db2.gz HWLWHBHOSLCQGN-RBUKOAKNSA-N 0 3 360.454 2.198 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000275837458 330094780 /nfs/dbraw/zinc/09/47/80/330094780.db2.gz JGUFCULVBPZDAD-GFCCVEGCSA-N 0 3 362.861 2.339 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000276014206 330111519 /nfs/dbraw/zinc/11/15/19/330111519.db2.gz HHWLIZQYSZBPKH-CQSZACIVSA-N 0 3 370.453 2.051 20 30 FEEDHN C#CCNc1nc(N[C@H]2CSC[C@H]2C)nc(N[C@@H]2CSC[C@@H]2C)n1 ZINC000804811499 674302033 /nfs/dbraw/zinc/30/20/33/674302033.db2.gz WFYJCTQPYKLHEN-FNFFVJSTSA-N 0 3 364.544 2.244 20 30 FEEDHN C#CCNc1nc(N[C@@H]2CSC[C@@H]2C)nc(N[C@@H]2CSC[C@H]2C)n1 ZINC000804811501 674302084 /nfs/dbraw/zinc/30/20/84/674302084.db2.gz WFYJCTQPYKLHEN-YVECIDJPSA-N 0 3 364.544 2.244 20 30 FEEDHN CCN1CCC[C@@H](CN(C)C(=O)NC2CCOCC2)[C@@H]1c1cnn(C)c1 ZINC000328617418 521614526 /nfs/dbraw/zinc/61/45/26/521614526.db2.gz CSMDSAMCARXHHV-MAUKXSAKSA-N 0 3 363.506 2.218 20 30 FEEDHN CN(C)[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 ZINC000555392246 674358947 /nfs/dbraw/zinc/35/89/47/674358947.db2.gz GWFBFMOAROJDFQ-MRXNPFEDSA-N 0 3 363.508 2.286 20 30 FEEDHN C=CCC[C@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1 ZINC000155390982 545520352 /nfs/dbraw/zinc/52/03/52/545520352.db2.gz ZOASFQAYCGSJMM-KRWDZBQOSA-N 0 3 369.469 2.207 20 30 FEEDHN C[C@H]1CCCCN1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156200712 545607806 /nfs/dbraw/zinc/60/78/06/545607806.db2.gz LYGGVXBZRNQJTC-ZDUSSCGKSA-N 0 3 366.443 2.009 20 30 FEEDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)N(C)C ZINC000160129144 546010671 /nfs/dbraw/zinc/01/06/71/546010671.db2.gz WOASJHVXNHQSNF-KRWDZBQOSA-N 0 3 374.485 2.376 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCc3c2cc(F)cc3F)CC1 ZINC000171621189 546216680 /nfs/dbraw/zinc/21/66/80/546216680.db2.gz OBAVISGDHVHAAY-UHFFFAOYSA-N 0 3 363.408 2.011 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000171714857 546220998 /nfs/dbraw/zinc/22/09/98/546220998.db2.gz IDXWDIQHEAVNHK-KRWDZBQOSA-N 0 3 361.511 2.048 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)CC1 ZINC000171741783 546222783 /nfs/dbraw/zinc/22/27/83/546222783.db2.gz DSPFUSCWBQRDRA-UHFFFAOYSA-N 0 3 374.485 2.234 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)CC1 ZINC000172075673 546235774 /nfs/dbraw/zinc/23/57/74/546235774.db2.gz FDMYFWDNKZFLAO-GOSISDBHSA-N 0 3 353.413 2.122 20 30 FEEDHN CN(C)CCOc1cccc(CNC(=O)Nc2ccn(CCC#N)n2)c1 ZINC000173348692 546279088 /nfs/dbraw/zinc/27/90/88/546279088.db2.gz XSUKRBPMWGXMQN-UHFFFAOYSA-N 0 3 356.430 2.059 20 30 FEEDHN CC(C)OCCN1CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000176421308 546443951 /nfs/dbraw/zinc/44/39/51/546443951.db2.gz SMYFPXXXOAIWRE-UHFFFAOYSA-N 0 3 362.449 2.386 20 30 FEEDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481067214 561224413 /nfs/dbraw/zinc/22/44/13/561224413.db2.gz FLTNJORBQHJGJX-INIZCTEOSA-N 0 3 353.463 2.333 20 30 FEEDHN C=CCOc1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C(C)(C)C)cc1 ZINC000177849062 546695098 /nfs/dbraw/zinc/69/50/98/546695098.db2.gz VCSGVSBZIADPQA-UHFFFAOYSA-N 0 3 371.481 2.450 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)N(C)C)cc2OCC)CC1 ZINC000178053189 546731450 /nfs/dbraw/zinc/73/14/50/546731450.db2.gz GJCDRKQFIIJELA-UHFFFAOYSA-N 0 3 357.454 2.071 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(-c3ncco3)c2)CC1 ZINC000179188254 546911914 /nfs/dbraw/zinc/91/19/14/546911914.db2.gz KRMTVJWKJLNMTI-UHFFFAOYSA-N 0 3 354.410 2.047 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2ccnn2)c1 ZINC000179378241 546942153 /nfs/dbraw/zinc/94/21/53/546942153.db2.gz ZMIWZYOSKKGCFQ-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN C=CCNC(=O)CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000180031054 547040493 /nfs/dbraw/zinc/04/04/93/547040493.db2.gz WLMYKRXJSKNLBF-NSHDSACASA-N 0 3 354.248 2.058 20 30 FEEDHN N#Cc1cccc(CS(=O)(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000180199902 547066490 /nfs/dbraw/zinc/06/64/90/547066490.db2.gz SEEOKMXNXJWEKJ-UHFFFAOYSA-N 0 3 370.478 2.289 20 30 FEEDHN C=CCNC(=O)CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000180449452 547109773 /nfs/dbraw/zinc/10/97/73/547109773.db2.gz GPMMJYNPCRQXFE-GOSISDBHSA-N 0 3 358.486 2.061 20 30 FEEDHN C=CCSCCN[C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000180458555 547111849 /nfs/dbraw/zinc/11/18/49/547111849.db2.gz LCQFEDBCWLSKLS-OAHLLOKOSA-N 0 3 370.540 2.277 20 30 FEEDHN C#CCOc1ccccc1CNC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000181112619 547252137 /nfs/dbraw/zinc/25/21/37/547252137.db2.gz IHERWRAQEVLSRY-UHFFFAOYSA-N 0 3 364.511 2.238 20 30 FEEDHN N#Cc1cccc(CNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000181573681 547338613 /nfs/dbraw/zinc/33/86/13/547338613.db2.gz QRQIACYWQGKYFH-FQEVSTJZSA-N 0 3 364.449 2.124 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCS2)cc1 ZINC000483550371 561279401 /nfs/dbraw/zinc/27/94/01/561279401.db2.gz OZWASCACYDHOGO-YPMHNXCESA-N 0 3 353.469 2.389 20 30 FEEDHN CC(C)(C)S(=O)(=O)CCNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181954669 547412628 /nfs/dbraw/zinc/41/26/28/547412628.db2.gz FLNOULGZTZYLDY-UHFFFAOYSA-N 0 3 363.527 2.326 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000183041288 547591772 /nfs/dbraw/zinc/59/17/72/547591772.db2.gz VCHRLJQTTVUHJV-SFHVURJKSA-N 0 3 372.425 2.245 20 30 FEEDHN COCc1noc(CON=C(N)c2ccccc2CN2CCCCC2)n1 ZINC000183175422 547616107 /nfs/dbraw/zinc/61/61/07/547616107.db2.gz YWVOHIIPADMIJI-UHFFFAOYSA-N 0 3 359.430 2.039 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000183186121 547618078 /nfs/dbraw/zinc/61/80/78/547618078.db2.gz UHVUIRRNVBRNGH-BRWVUGGUSA-N 0 3 358.511 2.189 20 30 FEEDHN COC[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000183457330 547664358 /nfs/dbraw/zinc/66/43/58/547664358.db2.gz KHWXAFYUWZVTAA-INIZCTEOSA-N 0 3 354.372 2.188 20 30 FEEDHN C=CCOc1ccc(C(=O)N2CCC(OCCN(C)C)CC2)cc1OC ZINC000485114437 561312981 /nfs/dbraw/zinc/31/29/81/561312981.db2.gz BKTFHVLGWXBHCD-UHFFFAOYSA-N 0 3 362.470 2.443 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN([C@@H](C)c3nccs3)CC2)CC1 ZINC000184868901 547890387 /nfs/dbraw/zinc/89/03/87/547890387.db2.gz XLSMLOQBMPTXQP-HNNXBMFYSA-N 0 3 363.531 2.182 20 30 FEEDHN CCN(CCO)CCNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000185416415 547981842 /nfs/dbraw/zinc/98/18/42/547981842.db2.gz BHOXRBZGCJABED-CQSZACIVSA-N 0 3 350.488 2.374 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000185883344 548050251 /nfs/dbraw/zinc/05/02/51/548050251.db2.gz PDCFCPOQHFJNFQ-MJGOQNOKSA-N 0 3 357.502 2.357 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000186037511 548076735 /nfs/dbraw/zinc/07/67/35/548076735.db2.gz RVVJYCDYOAKACX-OAHLLOKOSA-N 0 3 360.506 2.262 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)CC1 ZINC000186369616 548126244 /nfs/dbraw/zinc/12/62/44/548126244.db2.gz BOQAZFAQSKFDCC-AQNXPRMDSA-N 0 3 356.466 2.073 20 30 FEEDHN CN(CCN(C)C1CC1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000186760468 548187623 /nfs/dbraw/zinc/18/76/23/548187623.db2.gz BJNSIUVRVQLIFZ-UHFFFAOYSA-N 0 3 367.415 2.199 20 30 FEEDHN COc1cc([C@@H](C#N)NC(=O)CC2CCN(C)CC2)cc(OC)c1OC ZINC000486121522 561338569 /nfs/dbraw/zinc/33/85/69/561338569.db2.gz PBJQLBGUEMHUKL-OAHLLOKOSA-N 0 3 361.442 2.125 20 30 FEEDHN C=CC[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000189121422 548295334 /nfs/dbraw/zinc/29/53/34/548295334.db2.gz FODYKUPBUDEVOC-LJQANCHMSA-N 0 3 355.482 2.113 20 30 FEEDHN C=C(C)CS(=O)(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000189796469 548311098 /nfs/dbraw/zinc/31/10/98/548311098.db2.gz NHPZHNCIIPQCGJ-UHFFFAOYSA-N 0 3 352.500 2.199 20 30 FEEDHN C=CCN1CCC(NC(=O)c2nnn(Cc3ccc(F)cc3)c2C)CC1 ZINC000192533022 548366569 /nfs/dbraw/zinc/36/65/69/548366569.db2.gz WWZSXRMTMYIXJC-UHFFFAOYSA-N 0 3 357.433 2.154 20 30 FEEDHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(CCC#N)CC(C)(C)C ZINC000192609726 548367017 /nfs/dbraw/zinc/36/70/17/548367017.db2.gz DVFQNSMJKNPCMT-UHFFFAOYSA-N 0 3 369.535 2.012 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000246094916 549050656 /nfs/dbraw/zinc/05/06/56/549050656.db2.gz HNMPWKLKPLYMCA-MCIONIFRSA-N 0 3 360.433 2.118 20 30 FEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC000246461351 549139014 /nfs/dbraw/zinc/13/90/14/549139014.db2.gz FYEBJMIGXKTTNU-XHDPSFHLSA-N 0 3 357.426 2.187 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000488860954 561398268 /nfs/dbraw/zinc/39/82/68/561398268.db2.gz YCLANHQXQZJZIB-OKILXGFUSA-N 0 3 353.463 2.344 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000247012282 549264356 /nfs/dbraw/zinc/26/43/56/549264356.db2.gz XLIZXLZUVVJZCA-FXAWDEMLSA-N 0 3 373.522 2.281 20 30 FEEDHN Cc1ncc(S(=O)(=O)NCC2(N(C)C)CCCCCC2)cc1C#N ZINC000489111232 561403506 /nfs/dbraw/zinc/40/35/06/561403506.db2.gz OROZYFBFFOKBTG-UHFFFAOYSA-N 0 3 350.488 2.195 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000248549309 549456268 /nfs/dbraw/zinc/45/62/68/549456268.db2.gz FVSLFYUEEPWBPI-BJLQDIEVSA-N 0 3 356.514 2.461 20 30 FEEDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000248938406 549529903 /nfs/dbraw/zinc/52/99/03/549529903.db2.gz CGHZJYRNWSZNAE-KZNAEPCWSA-N 0 3 366.575 2.333 20 30 FEEDHN COc1cc(C)cnc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000489880418 561421364 /nfs/dbraw/zinc/42/13/64/561421364.db2.gz GEWBHAMQJJXGGK-UHFFFAOYSA-N 0 3 352.438 2.474 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)c(Cl)c1 ZINC000490373056 561431915 /nfs/dbraw/zinc/43/19/15/561431915.db2.gz OJHCAJTZSKTZHI-AWEZNQCLSA-N 0 3 360.845 2.237 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(=O)OC)cc2)CC1 ZINC000264365513 549994462 /nfs/dbraw/zinc/99/44/62/549994462.db2.gz IIPXGCWYASJMKL-UHFFFAOYSA-N 0 3 361.442 2.400 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000264401287 549995103 /nfs/dbraw/zinc/99/51/03/549995103.db2.gz ZOEVVSAJUSBWNG-UHFFFAOYSA-N 0 3 354.458 2.059 20 30 FEEDHN CCN1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000265830972 550014425 /nfs/dbraw/zinc/01/44/25/550014425.db2.gz KTYKRZOBAGZLOL-QGZVFWFLSA-N 0 3 358.486 2.358 20 30 FEEDHN CN(C)C1(CNC(=O)Nc2ccn(CCC#N)n2)Cc2ccccc2C1 ZINC000266373356 550019834 /nfs/dbraw/zinc/01/98/34/550019834.db2.gz FLGTXEZBCDPPFD-UHFFFAOYSA-N 0 3 352.442 2.017 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](COCCOC)C1)C(C)C ZINC000266650833 550022389 /nfs/dbraw/zinc/02/23/89/550022389.db2.gz HAPNEMDCFZCNOT-RBUKOAKNSA-N 0 3 367.534 2.380 20 30 FEEDHN CC(=O)c1cccc(NC(=O)CON=C(N)c2ccc(CN(C)C)cc2)c1 ZINC000267002507 550026811 /nfs/dbraw/zinc/02/68/11/550026811.db2.gz HVEBUBVRMRFWEW-UHFFFAOYSA-N 0 3 368.437 2.226 20 30 FEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000270849025 550313861 /nfs/dbraw/zinc/31/38/61/550313861.db2.gz HPEKYGUPXSYYRJ-KRWDZBQOSA-N 0 3 364.453 2.050 20 30 FEEDHN N#CCc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000270871090 550315781 /nfs/dbraw/zinc/31/57/81/550315781.db2.gz ODHIQTHIZRYQQP-SFTDATJTSA-N 0 3 363.461 2.365 20 30 FEEDHN C=CCOc1c(Br)cc(CN(CCO)CCCO)cc1OC ZINC000271210040 550353393 /nfs/dbraw/zinc/35/33/93/550353393.db2.gz XTRQYHUNABUCIF-UHFFFAOYSA-N 0 3 374.275 2.199 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000271770600 550400778 /nfs/dbraw/zinc/40/07/78/550400778.db2.gz ITCCYLHVPKFFLE-HKUYNNGSSA-N 0 3 354.454 2.400 20 30 FEEDHN C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271800959 550403014 /nfs/dbraw/zinc/40/30/14/550403014.db2.gz JYWCXMFZOAMQSY-AUUYWEPGSA-N 0 3 373.478 2.193 20 30 FEEDHN Cc1cc(NC(=O)N[C@H](Cc2ccccc2)CN(C)C)nn1CCC#N ZINC000272142605 550425181 /nfs/dbraw/zinc/42/51/81/550425181.db2.gz WTEXBPWUANPUAL-QGZVFWFLSA-N 0 3 354.458 2.400 20 30 FEEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272405825 550444820 /nfs/dbraw/zinc/44/48/20/550444820.db2.gz KPQURQZRTKWBML-WBVHZDCISA-N 0 3 370.478 2.142 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](CN2CCCC2)c2ccc(OC)cc2)CC1 ZINC000272693636 550465658 /nfs/dbraw/zinc/46/56/58/550465658.db2.gz UVQVEGFVQQSLPW-OAQYLSRUSA-N 0 3 369.509 2.294 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3nc4ccccn4c3C#N)CC2)CC1 ZINC000272957967 550478285 /nfs/dbraw/zinc/47/82/85/550478285.db2.gz ZCCSQEFRVSZYOY-UHFFFAOYSA-N 0 3 352.486 2.201 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1 ZINC000274880877 550562141 /nfs/dbraw/zinc/56/21/41/550562141.db2.gz ZKHLWMBYJAMMDI-UHFFFAOYSA-N 0 3 372.517 2.154 20 30 FEEDHN C=CCOc1ccc(CN(C)CCOCCOCCOC)cc1OC ZINC000276153576 550576997 /nfs/dbraw/zinc/57/69/97/550576997.db2.gz GUVPOWDZCCRNCV-UHFFFAOYSA-N 0 3 353.459 2.371 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)C1=CCN(C)CC1 ZINC000276190369 550577284 /nfs/dbraw/zinc/57/72/84/550577284.db2.gz UUBJUBUEFYLRFB-CQSZACIVSA-N 0 3 372.494 2.397 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-c3cnn(C)c3)nn2)CC1 ZINC000278709971 550813877 /nfs/dbraw/zinc/81/38/77/550813877.db2.gz KONFQKVDQOYKHT-UHFFFAOYSA-N 0 3 355.446 2.039 20 30 FEEDHN CCO[C@@H]1C[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)[C@H]1OC ZINC000279331738 550878379 /nfs/dbraw/zinc/87/83/79/550878379.db2.gz CZOOGSREGTUZPU-YQVWRLOYSA-N 0 3 355.442 2.141 20 30 FEEDHN COCCOC[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279438738 550890252 /nfs/dbraw/zinc/89/02/52/550890252.db2.gz RDLWNIDLXCSCMT-QGZVFWFLSA-N 0 3 369.469 2.344 20 30 FEEDHN CCOC(=O)C1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279451553 550891704 /nfs/dbraw/zinc/89/17/04/550891704.db2.gz GBKTYSOZJQMJRJ-LXPRWKDFSA-N 0 3 353.422 2.479 20 30 FEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000279894101 550940524 /nfs/dbraw/zinc/94/05/24/550940524.db2.gz DCTDOMUQCLCQEP-CZUORRHYSA-N 0 3 364.371 2.336 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000280172607 550967816 /nfs/dbraw/zinc/96/78/16/550967816.db2.gz CKMBFCOWZHLBRQ-QKLQHJQFSA-N 0 3 368.481 2.246 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280501631 551000913 /nfs/dbraw/zinc/00/09/13/551000913.db2.gz LBKKEVXRJCFRJQ-QGZVFWFLSA-N 0 3 356.514 2.491 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(C)C ZINC000496013453 561491725 /nfs/dbraw/zinc/49/17/25/561491725.db2.gz ITCWIKUZNUOXFE-GPMSIDNRSA-N 0 3 365.543 2.255 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000280840955 551037949 /nfs/dbraw/zinc/03/79/49/551037949.db2.gz XJGZJWDZSNBDSV-HNNXBMFYSA-N 0 3 366.421 2.409 20 30 FEEDHN CCCN(CCN(C)C)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000496246401 561493304 /nfs/dbraw/zinc/49/33/04/561493304.db2.gz SPEFGMIPKULCMW-GOSISDBHSA-N 0 3 357.502 2.278 20 30 FEEDHN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)CC1 ZINC000282360559 551217292 /nfs/dbraw/zinc/21/72/92/551217292.db2.gz SYQDGRUSBNVLBH-UHFFFAOYSA-N 0 3 357.506 2.104 20 30 FEEDHN C[C@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000282556952 551246026 /nfs/dbraw/zinc/24/60/26/551246026.db2.gz FFYZMHPSCXTRFC-CABCVRRESA-N 0 3 352.504 2.042 20 30 FEEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000283155680 551320549 /nfs/dbraw/zinc/32/05/49/551320549.db2.gz DXYGULHPKDYEHQ-UHFFFAOYSA-N 0 3 356.474 2.150 20 30 FEEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000283243267 551335032 /nfs/dbraw/zinc/33/50/32/551335032.db2.gz KSXIGIRRRCOIQD-UHFFFAOYSA-N 0 3 368.485 2.217 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000283456590 551369176 /nfs/dbraw/zinc/36/91/76/551369176.db2.gz DKHRNJVFHFTDTD-KRWDZBQOSA-N 0 3 357.498 2.281 20 30 FEEDHN C[C@H]1CCCC[C@@H]1[N-]C(=S)C(C(=O)c1cnn(C)n1)[n+]1ccccc1 ZINC000284051353 551475052 /nfs/dbraw/zinc/47/50/52/551475052.db2.gz JGFZYUCBOYKEPP-KBPBESRZSA-O 0 3 358.491 2.210 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000284353114 551531238 /nfs/dbraw/zinc/53/12/38/551531238.db2.gz OCFCFMCHZXBGRX-SFHVURJKSA-N 0 3 361.486 2.229 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000498381653 561523715 /nfs/dbraw/zinc/52/37/15/561523715.db2.gz GOOOSCWJYIDYBZ-GOSISDBHSA-N 0 3 370.497 2.095 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(F)c(C(C)=O)c2)CC1 ZINC000498769424 561534273 /nfs/dbraw/zinc/53/42/73/561534273.db2.gz MTFIORFMWXARMF-UHFFFAOYSA-N 0 3 361.417 2.124 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286065171 551844690 /nfs/dbraw/zinc/84/46/90/551844690.db2.gz RRLKXAPTYZSBBD-AABGKKOBSA-N 0 3 366.465 2.147 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](CC)Cc2ccccc2)CC1 ZINC000286100556 551848660 /nfs/dbraw/zinc/84/86/60/551848660.db2.gz XCZGXCGRQAOYSV-SFHVURJKSA-N 0 3 357.498 2.281 20 30 FEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286246619 551865390 /nfs/dbraw/zinc/86/53/90/551865390.db2.gz MJSQLLWQEJTFRL-KYJSFNMBSA-N 0 3 358.461 2.322 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000286461049 551888288 /nfs/dbraw/zinc/88/82/88/551888288.db2.gz IBWWWNDQUKQIIY-KRWDZBQOSA-N 0 3 359.470 2.490 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000286492217 551892369 /nfs/dbraw/zinc/89/23/69/551892369.db2.gz JWOPELRADPBMIE-LJQANCHMSA-N 0 3 371.481 2.125 20 30 FEEDHN C=CCOc1ccc(CNC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000286684071 551914493 /nfs/dbraw/zinc/91/44/93/551914493.db2.gz FTKSEYHLKBLGGC-QGZVFWFLSA-N 0 3 360.502 2.077 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)cc1 ZINC000286992671 551949017 /nfs/dbraw/zinc/94/90/17/551949017.db2.gz CQIZBTMTEGSFNM-HZSPNIEDSA-N 0 3 365.455 2.309 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](CO)CC2)cc1 ZINC000287066462 551958987 /nfs/dbraw/zinc/95/89/87/551958987.db2.gz HRSYBOZQNQRESO-IHRRRGAJSA-N 0 3 365.455 2.045 20 30 FEEDHN C=CCOc1ccc(CNC(=O)NC2CCN(CCN(C)C)CC2)cc1 ZINC000287095566 551963090 /nfs/dbraw/zinc/96/30/90/551963090.db2.gz MWRWEXJGXULJAJ-UHFFFAOYSA-N 0 3 360.502 2.077 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287376987 551996352 /nfs/dbraw/zinc/99/63/52/551996352.db2.gz XNBZVXDVQXQTDJ-YJBOKZPZSA-N 0 3 356.470 2.294 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(F)(F)C(F)F)cc1 ZINC000287478951 552009739 /nfs/dbraw/zinc/00/97/39/552009739.db2.gz YVESRGOYQQRTMB-QMMMGPOBSA-N 0 3 367.324 2.394 20 30 FEEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287680064 552033575 /nfs/dbraw/zinc/03/35/75/552033575.db2.gz DQJRTIUHTXMYBY-INIZCTEOSA-N 0 3 359.451 2.294 20 30 FEEDHN N#Cc1ccnc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1 ZINC000288205855 552110223 /nfs/dbraw/zinc/11/02/23/552110223.db2.gz YOXZCGKODWXZJP-UHFFFAOYSA-N 0 3 368.412 2.366 20 30 FEEDHN C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1 ZINC000288346640 552137670 /nfs/dbraw/zinc/13/76/70/552137670.db2.gz YYONTQYEPMXCFV-MAUKXSAKSA-N 0 3 357.454 2.275 20 30 FEEDHN COCCN(C)CC[C@@H](NC(=O)Cc1noc(C)c1C#N)c1ccccc1 ZINC000499960970 561563017 /nfs/dbraw/zinc/56/30/17/561563017.db2.gz VPKSNEORFDAASF-GOSISDBHSA-N 0 3 370.453 2.223 20 30 FEEDHN N#CCCn1cc(CNCCN2CCCOCC2)c(-c2ccccc2)n1 ZINC000289535919 552336816 /nfs/dbraw/zinc/33/68/16/552336816.db2.gz WJSFALDYTBADPW-UHFFFAOYSA-N 0 3 353.470 2.276 20 30 FEEDHN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000289852113 552389414 /nfs/dbraw/zinc/38/94/14/552389414.db2.gz VBNKVLXBCXRKFA-KRWDZBQOSA-N 0 3 355.482 2.358 20 30 FEEDHN Cc1ccncc1N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000500663194 561578992 /nfs/dbraw/zinc/57/89/92/561578992.db2.gz IXBMPNSCDBNRNN-IBGZPJMESA-N 0 3 359.433 2.293 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1C ZINC000290138599 552433376 /nfs/dbraw/zinc/43/33/76/552433376.db2.gz FZUMKVMWBREIIO-OAHLLOKOSA-N 0 3 366.469 2.043 20 30 FEEDHN CC(C#N)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000500934814 561585997 /nfs/dbraw/zinc/58/59/97/561585997.db2.gz QXGXSWHDOCYOAB-NSHDSACASA-N 0 3 354.223 2.392 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000291028034 552577871 /nfs/dbraw/zinc/57/78/71/552577871.db2.gz OKKVDFKJXTZFCW-PZJWPPBQSA-N 0 3 357.498 2.492 20 30 FEEDHN COCCCN(C(=O)Cc1ccc(OCC#N)cc1)C1CCN(C)CC1 ZINC000291229367 552603187 /nfs/dbraw/zinc/60/31/87/552603187.db2.gz OZGJECMPBIXNDY-UHFFFAOYSA-N 0 3 359.470 2.091 20 30 FEEDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(C#N)c(F)c2)o1 ZINC000291290853 552610871 /nfs/dbraw/zinc/61/08/71/552610871.db2.gz MLAIXOGQFNAUAW-UHFFFAOYSA-N 0 3 372.400 2.128 20 30 FEEDHN CCc1nnc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000291476369 552628309 /nfs/dbraw/zinc/62/83/09/552628309.db2.gz NJGGUGJADZAQJH-UHFFFAOYSA-N 0 3 372.498 2.246 20 30 FEEDHN COc1cc(C#N)ccc1OCCN[C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000292039685 552687200 /nfs/dbraw/zinc/68/72/00/552687200.db2.gz AJIJBDFGNZPVCH-LIRRHRJNSA-N 0 3 353.422 2.193 20 30 FEEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccccc3N3CCOCC3)C2)nc1 ZINC000292702900 552751059 /nfs/dbraw/zinc/75/10/59/552751059.db2.gz COEFDRTVPBZICJ-IBGZPJMESA-N 0 3 364.449 2.443 20 30 FEEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000292857746 552765542 /nfs/dbraw/zinc/76/55/42/552765542.db2.gz GPPLLIZSSYOLEV-DLBZAZTESA-N 0 3 374.533 2.111 20 30 FEEDHN C#CCNC(=O)CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000294024785 552876332 /nfs/dbraw/zinc/87/63/32/552876332.db2.gz HQDCGRYPZYVRJH-ZWKOTPCHSA-N 0 3 371.481 2.119 20 30 FEEDHN COc1ccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1OCCCC#N ZINC000295115679 552960400 /nfs/dbraw/zinc/96/04/00/552960400.db2.gz MLGJWCYUYPAGPW-PXNSSMCTSA-N 0 3 359.470 2.283 20 30 FEEDHN C#CCO[C@H](C)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000295413737 553002539 /nfs/dbraw/zinc/00/25/39/553002539.db2.gz DIKJFUVYADKMJB-SJLPKXTDSA-N 0 3 352.438 2.307 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1cc(OC)c(OC)cc1Br ZINC000295517625 553019382 /nfs/dbraw/zinc/01/93/82/553019382.db2.gz QAKLDHDYYZLOOY-UHFFFAOYSA-N 0 3 369.259 2.151 20 30 FEEDHN C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000296024966 553091223 /nfs/dbraw/zinc/09/12/23/553091223.db2.gz SERTUPXZSUQEIR-HNNXBMFYSA-N 0 3 369.473 2.032 20 30 FEEDHN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)CC)CC1 ZINC000296066974 553099291 /nfs/dbraw/zinc/09/92/91/553099291.db2.gz WIPABBOHNZMFRX-MRXNPFEDSA-N 0 3 357.506 2.246 20 30 FEEDHN CCN1CC[C@H]2OCCN(C(=O)CCCCOc3cccc(C#N)c3)[C@H]2C1 ZINC000502630759 561622450 /nfs/dbraw/zinc/62/24/50/561622450.db2.gz CKOSMKRAFWBVSE-VQTJNVASSA-N 0 3 371.481 2.429 20 30 FEEDHN C[C@@H]1CN(C2CC2)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000296695564 553199473 /nfs/dbraw/zinc/19/94/73/553199473.db2.gz KFRWRSHBEBYKJM-UZLBHIALSA-N 0 3 352.482 2.470 20 30 FEEDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000502835794 561627174 /nfs/dbraw/zinc/62/71/74/561627174.db2.gz HMZASVBZGJGIOR-JKSUJKDBSA-N 0 3 362.861 2.091 20 30 FEEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H]2CCC[C@@H]2CCO)cc1 ZINC000502855186 561627935 /nfs/dbraw/zinc/62/79/35/561627935.db2.gz KCQVGAIJODXJSQ-VQIMIIECSA-N 0 3 359.470 2.473 20 30 FEEDHN N#Cc1cc(Br)cnc1N1CCN(CC2CCOCC2)CC1 ZINC000296980077 553237832 /nfs/dbraw/zinc/23/78/32/553237832.db2.gz DSDLPEVUDSBRRM-UHFFFAOYSA-N 0 3 365.275 2.264 20 30 FEEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@H]1CCNC1=O ZINC000298419094 553423046 /nfs/dbraw/zinc/42/30/46/553423046.db2.gz FUMPNMLYFFAJSL-DOMZBBRYSA-N 0 3 374.510 2.284 20 30 FEEDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000298593026 553445888 /nfs/dbraw/zinc/44/58/88/553445888.db2.gz ZAYCFEDABSOWEU-HNNXBMFYSA-N 0 3 356.470 2.417 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000298929319 553490963 /nfs/dbraw/zinc/49/09/63/553490963.db2.gz HKGKUDWKBFXJGN-CQSZACIVSA-N 0 3 358.486 2.447 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000299225959 553533552 /nfs/dbraw/zinc/53/35/52/553533552.db2.gz XMPVIMGRUAFPQG-UHFFFAOYSA-N 0 3 357.498 2.186 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N(C)C ZINC000299342619 553550422 /nfs/dbraw/zinc/55/04/22/553550422.db2.gz UGSJTSFOPYFIHA-AWEZNQCLSA-N 0 3 366.421 2.355 20 30 FEEDHN CN1CCC(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000299483773 553569641 /nfs/dbraw/zinc/56/96/41/553569641.db2.gz CZUPWJINJADKOH-UHFFFAOYSA-N 0 3 369.469 2.013 20 30 FEEDHN CCC[C@H](NC(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504335909 561656528 /nfs/dbraw/zinc/65/65/28/561656528.db2.gz HYANJLHWHCGTSD-ROUUACIJSA-N 0 3 356.470 2.337 20 30 FEEDHN C#CCCN1CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000299733712 553609253 /nfs/dbraw/zinc/60/92/53/553609253.db2.gz YYCQAFIBXUSMCO-UHFFFAOYSA-N 0 3 364.287 2.419 20 30 FEEDHN CN1CCN(CC2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)CC1 ZINC000301306198 553640638 /nfs/dbraw/zinc/64/06/38/553640638.db2.gz USAPSGSFFZPKSC-UHFFFAOYSA-N 0 3 367.419 2.436 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000303445309 553745342 /nfs/dbraw/zinc/74/53/42/553745342.db2.gz GVPYTVMNMIVYIJ-MRXNPFEDSA-N 0 3 373.476 2.403 20 30 FEEDHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)CC1 ZINC000328614946 553796895 /nfs/dbraw/zinc/79/68/95/553796895.db2.gz RMQJAZJVSFZMCK-WGSAOQKQSA-N 0 3 370.497 2.087 20 30 FEEDHN CN1C[C@@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)CCC1=O ZINC000328618649 553797139 /nfs/dbraw/zinc/79/71/39/553797139.db2.gz VHJWIHPZVUVKJX-INIZCTEOSA-N 0 3 350.507 2.157 20 30 FEEDHN CC(=O)N1CCC(CCC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000328714232 553811274 /nfs/dbraw/zinc/81/12/74/553811274.db2.gz OAOPZFCXMQEWLA-UHFFFAOYSA-N 0 3 352.523 2.008 20 30 FEEDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCN(C2CC2)C(=O)C1 ZINC000328726373 553813064 /nfs/dbraw/zinc/81/30/64/553813064.db2.gz UPCDRVMGEBTHCD-SFHVURJKSA-N 0 3 356.470 2.044 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CCCN2CCOCC2)CC1 ZINC000506033125 561687964 /nfs/dbraw/zinc/68/79/64/561687964.db2.gz VGHHXHIENGZRNV-LJQANCHMSA-N 0 3 363.546 2.400 20 30 FEEDHN CO[C@H]1C[C@@H](CN(C)[C@@H](C)C(=O)NC(=O)NC2CCCCC2)N(C)C1 ZINC000329038421 553868899 /nfs/dbraw/zinc/86/88/99/553868899.db2.gz RYCKTEMHIXAWCY-BPUTZDHNSA-N 0 3 354.495 2.229 20 30 FEEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000329253330 553911632 /nfs/dbraw/zinc/91/16/32/553911632.db2.gz ZBWPJXMLANPWCO-WCIQWLHISA-N 0 3 373.497 2.037 20 30 FEEDHN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCN(CC3CC3)CC1)C2 ZINC000329274048 553914977 /nfs/dbraw/zinc/91/49/77/553914977.db2.gz KFUVFYFUTOUAGR-MRXNPFEDSA-N 0 3 359.518 2.437 20 30 FEEDHN CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CCN(CC3CC3)CC1)C2 ZINC000329274048 553914979 /nfs/dbraw/zinc/91/49/79/553914979.db2.gz KFUVFYFUTOUAGR-MRXNPFEDSA-N 0 3 359.518 2.437 20 30 FEEDHN CCN1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000329345897 553929416 /nfs/dbraw/zinc/92/94/16/553929416.db2.gz CTIJUJNVERLGGG-UHFFFAOYSA-N 0 3 358.486 2.498 20 30 FEEDHN Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CCN(C)[C@H]3c3ccccc3)CCO2)no1 ZINC000329357342 553931351 /nfs/dbraw/zinc/93/13/51/553931351.db2.gz WPGLQVWNQJJHKD-IKGGRYGDSA-N 0 3 371.441 2.111 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329436684 553946607 /nfs/dbraw/zinc/94/66/07/553946607.db2.gz LXWVFWSPEVFGSE-JFIYKMOQSA-N 0 3 362.518 2.250 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)Nc3cccc4c3CNC4=O)CC2)CC1 ZINC000329465356 553951685 /nfs/dbraw/zinc/95/16/85/553951685.db2.gz VLNJKONKMDIDRS-UHFFFAOYSA-N 0 3 371.485 2.010 20 30 FEEDHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000329667919 553984912 /nfs/dbraw/zinc/98/49/12/553984912.db2.gz RTTYVHLRRZXALM-UKRRQHHQSA-N 0 3 374.441 2.476 20 30 FEEDHN CCc1nc(CN2CCN(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)CC2)cs1 ZINC000329797989 554007823 /nfs/dbraw/zinc/00/78/23/554007823.db2.gz GDKZFBOTZYHAJT-LSDHHAIUSA-N 0 3 365.547 2.220 20 30 FEEDHN CCN1CCC(NC(=O)N2CCN([C@@H](C)c3nccs3)CC2)CC1 ZINC000329801076 554008604 /nfs/dbraw/zinc/00/86/04/554008604.db2.gz JIHPZWZTDJUCHF-AWEZNQCLSA-N 0 3 351.520 2.220 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329801402 554008657 /nfs/dbraw/zinc/00/86/57/554008657.db2.gz YSLFZGMENVZEAH-NVXWUHKLSA-N 0 3 364.534 2.496 20 30 FEEDHN Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)CC2)cc1 ZINC000329805033 554009254 /nfs/dbraw/zinc/00/92/54/554009254.db2.gz MOALJBZMGKACKG-SJLPKXTDSA-N 0 3 358.486 2.150 20 30 FEEDHN CC1CCN([C@H](CNC(=O)N[C@@H]2CC(=O)N(C)C2)c2cccs2)CC1 ZINC000329918789 554031565 /nfs/dbraw/zinc/03/15/65/554031565.db2.gz GCDVYAMWXVMVPH-HUUCEWRRSA-N 0 3 364.515 2.255 20 30 FEEDHN CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)c2)CC1 ZINC000329981910 554043536 /nfs/dbraw/zinc/04/35/36/554043536.db2.gz OEXNBUSYJOWZGX-SNRMKQJTSA-N 0 3 358.486 2.077 20 30 FEEDHN CN1C[C@H](NC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC1=O ZINC000330121272 554068370 /nfs/dbraw/zinc/06/83/70/554068370.db2.gz GUBKLIZBZJRQGO-WIYYLYMNSA-N 0 3 370.497 2.119 20 30 FEEDHN CC(C(=O)NCC(=O)NC1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000330149213 554074011 /nfs/dbraw/zinc/07/40/11/554074011.db2.gz MNJNELVAWOZLMB-GFCCVEGCSA-N 0 3 360.476 2.214 20 30 FEEDHN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1(C)C ZINC000330215418 554086841 /nfs/dbraw/zinc/08/68/41/554086841.db2.gz HABVRYOSJXCWKN-MUIFIZLQSA-N 0 3 353.507 2.145 20 30 FEEDHN C[C@]1(CNC(=O)N[C@@H]2CCc3ncnn3C2)CCCN1Cc1ccccc1 ZINC000330246450 554092288 /nfs/dbraw/zinc/09/22/88/554092288.db2.gz LGLIVDWMLLVWIJ-YLJYHZDGSA-N 0 3 368.485 2.151 20 30 FEEDHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000330249021 554092704 /nfs/dbraw/zinc/09/27/04/554092704.db2.gz ZQBYBLLKMIQUGA-CRAIPNDOSA-N 0 3 362.518 2.045 20 30 FEEDHN Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000330272289 554097053 /nfs/dbraw/zinc/09/70/53/554097053.db2.gz XJXXISGKXDXRHZ-ZIAGYGMSSA-N 0 3 364.490 2.322 20 30 FEEDHN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)CN2CCC[C@H](C)C2)cn1 ZINC000330330360 554106290 /nfs/dbraw/zinc/10/62/90/554106290.db2.gz NGCIBIYWIUERDA-CIRFHOKZSA-N 0 3 363.506 2.357 20 30 FEEDHN CCN1CCC[C@@H](NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000330504597 554130461 /nfs/dbraw/zinc/13/04/61/554130461.db2.gz IABGWGHATKNTAN-MRXNPFEDSA-N 0 3 367.515 2.343 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC000330663828 554153259 /nfs/dbraw/zinc/15/32/59/554153259.db2.gz XPIYLVGIIQJFGV-MRXNPFEDSA-N 0 3 350.507 2.035 20 30 FEEDHN CN1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC1 ZINC000330689148 554157931 /nfs/dbraw/zinc/15/79/31/554157931.db2.gz OZCBBOMDMFHSRK-UHFFFAOYSA-N 0 3 361.414 2.448 20 30 FEEDHN CC[C@H](C(=O)N1CCN(C(=O)NC2CCCCC2)CC1)N(CC)CC ZINC000330806772 554173903 /nfs/dbraw/zinc/17/39/03/554173903.db2.gz JDLDXINENNDXGN-QGZVFWFLSA-N 0 3 352.523 2.498 20 30 FEEDHN COc1cc(NC(=O)NCC2(O)CCN(C)CC2)ccc1OC(C)C ZINC000331015877 554201134 /nfs/dbraw/zinc/20/11/34/554201134.db2.gz XXCLBUMDURNDNW-UHFFFAOYSA-N 0 3 351.447 2.265 20 30 FEEDHN CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C)CCN1CCOC ZINC000508592682 561766948 /nfs/dbraw/zinc/76/69/48/561766948.db2.gz OIBOEZJYWDBQKA-SFHVURJKSA-N 0 3 368.485 2.291 20 30 FEEDHN C=CCn1c(-c2ccoc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000508854518 561775545 /nfs/dbraw/zinc/77/55/45/561775545.db2.gz DBYQOHOKZGCQIL-UHFFFAOYSA-N 0 3 357.458 2.273 20 30 FEEDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1N1CCCC1 ZINC000331526098 554280351 /nfs/dbraw/zinc/28/03/51/554280351.db2.gz FWSMGJAUKGHDHR-FHLIZLRMSA-N 0 3 358.511 2.397 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000510385157 561833215 /nfs/dbraw/zinc/83/32/15/561833215.db2.gz TXOPQQZSHYEEAA-CYBMUJFWSA-N 0 3 369.918 2.326 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@@]2(C)CCCN2Cc2ccccc2)C1=O ZINC000348391855 554683733 /nfs/dbraw/zinc/68/37/33/554683733.db2.gz RBHBICAESHCREQ-YLJYHZDGSA-N 0 3 357.454 2.164 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1=O ZINC000348582654 554689782 /nfs/dbraw/zinc/68/97/82/554689782.db2.gz FIMBHIGQDCUEJD-BPQIPLTHSA-N 0 3 357.454 2.020 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N(C)CC ZINC000511117058 561857668 /nfs/dbraw/zinc/85/76/68/561857668.db2.gz UBADNMXEEZDCDI-UHFFFAOYSA-N 0 3 351.520 2.063 20 30 FEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000360955878 554896910 /nfs/dbraw/zinc/89/69/10/554896910.db2.gz BOFQUUKPBFMPOW-MRXNPFEDSA-N 0 3 357.454 2.039 20 30 FEEDHN N#Cc1ccc(CNC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)o1 ZINC000362907481 554998130 /nfs/dbraw/zinc/99/81/30/554998130.db2.gz UAKRBDMWDWDVLH-IBGZPJMESA-N 0 3 367.405 2.072 20 30 FEEDHN CC[C@](C)(C#N)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000511695785 561878351 /nfs/dbraw/zinc/87/83/51/561878351.db2.gz QEZGEAHRMUUDIP-HXUWFJFHSA-N 0 3 356.470 2.068 20 30 FEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(CCN2CCOCC2)CC1 ZINC000363036208 555015406 /nfs/dbraw/zinc/01/54/06/555015406.db2.gz DMECFFXBOGSZFP-KRWDZBQOSA-N 0 3 370.497 2.320 20 30 FEEDHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1 ZINC000511743369 561879484 /nfs/dbraw/zinc/87/94/84/561879484.db2.gz MZIPWABGBKRMJW-RDJZCZTQSA-N 0 3 366.469 2.128 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000363149922 555040955 /nfs/dbraw/zinc/04/09/55/555040955.db2.gz IBYRLEOOTMQZAF-RTBURBONSA-N 0 3 356.470 2.199 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364009141 555232820 /nfs/dbraw/zinc/23/28/20/555232820.db2.gz ZUYTYDVQSKXNAM-JXXFODFXSA-N 0 3 357.454 2.073 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000364553924 555337190 /nfs/dbraw/zinc/33/71/90/555337190.db2.gz CUVMXHFJWVZTGR-XAMWDVODSA-N 0 3 371.481 2.331 20 30 FEEDHN CN1CCN(CC2(C)CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000364642591 555360941 /nfs/dbraw/zinc/36/09/41/555360941.db2.gz JKOOABOZHQCNKP-UHFFFAOYSA-N 0 3 354.498 2.242 20 30 FEEDHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000364786611 555402509 /nfs/dbraw/zinc/40/25/09/555402509.db2.gz FOSNWVAJDFADDD-OAHLLOKOSA-N 0 3 361.490 2.295 20 30 FEEDHN C=CCOc1cccc(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000513083003 561924705 /nfs/dbraw/zinc/92/47/05/561924705.db2.gz MIVOLMBUWLEIBT-MRXNPFEDSA-N 0 3 350.484 2.298 20 30 FEEDHN CN1CC[C@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@H]1c1cccs1 ZINC000365645499 555630950 /nfs/dbraw/zinc/63/09/50/555630950.db2.gz CIVLKJOABPGLJI-CJNGLKHVSA-N 0 3 358.471 2.673 20 30 FEEDHN COc1ccc([C@@H](CCC#N)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000365732732 555653924 /nfs/dbraw/zinc/65/39/24/555653924.db2.gz GDRWUBMPRJWEIG-PZJWPPBQSA-N 0 3 372.513 2.036 20 30 FEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000513608543 561944341 /nfs/dbraw/zinc/94/43/41/561944341.db2.gz JKAOWUNEWSYQDW-TZIWHRDSSA-N 0 3 363.461 2.480 20 30 FEEDHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 ZINC000366182073 555774715 /nfs/dbraw/zinc/77/47/15/555774715.db2.gz KJJNYPRBNDXHGK-OAHLLOKOSA-N 0 3 357.435 2.076 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2nc(CCC(=O)OC)cs2)CC1 ZINC000514644642 561971472 /nfs/dbraw/zinc/97/14/72/561971472.db2.gz NBESFVBLZZWXGY-UHFFFAOYSA-N 0 3 352.460 2.021 20 30 FEEDHN C=CCN1CC[C@@H](N2CCC3(C[C@@H]3c3nnc4n3CCCCC4)CC2)C1=O ZINC000367181771 556003111 /nfs/dbraw/zinc/00/31/11/556003111.db2.gz SLJAFXCQJHGZSQ-IAGOWNOFSA-N 0 3 369.513 2.361 20 30 FEEDHN N#Cc1ccc(N2CCC(NCc3cnc(C4OCCO4)s3)CC2)nc1 ZINC000367369950 556030506 /nfs/dbraw/zinc/03/05/06/556030506.db2.gz JHWLHKDQWDWGAF-UHFFFAOYSA-N 0 3 371.466 2.214 20 30 FEEDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1nc(C)ccc1C#N ZINC000367714735 556121255 /nfs/dbraw/zinc/12/12/55/556121255.db2.gz DTZFMTSELWRZNC-UHFFFAOYSA-N 0 3 353.474 2.058 20 30 FEEDHN N#Cc1ccc(OCCN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000367986241 556188735 /nfs/dbraw/zinc/18/87/35/556188735.db2.gz ISMPATGTAAFUMZ-LJQANCHMSA-N 0 3 371.462 2.252 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000368273688 556265262 /nfs/dbraw/zinc/26/52/62/556265262.db2.gz OCFAULJMJLXRAF-IBGZPJMESA-N 0 3 368.481 2.287 20 30 FEEDHN COc1ccc2c(c1)OCCC[C@@H]2NCCNC(=O)C1N=CC=CC1=O ZINC000368329999 556279711 /nfs/dbraw/zinc/27/97/11/556279711.db2.gz FRHULXAYMYLSDV-IJYGLTAASA-N 0 3 357.410 2.025 20 30 FEEDHN CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(C#N)nc3)cc2)CC1 ZINC000527940731 562308920 /nfs/dbraw/zinc/30/89/20/562308920.db2.gz AJSJIZNCKWJPCB-UHFFFAOYSA-N 0 3 363.465 2.272 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)NC2CCN(Cc3cccs3)CC2)c1 ZINC000368795617 556414916 /nfs/dbraw/zinc/41/49/16/556414916.db2.gz RARKOHFIVXKZCB-UHFFFAOYSA-N 0 3 368.462 2.339 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(c3ccc(C)c(C)c3)C2=O)CC1 ZINC000369040180 556485880 /nfs/dbraw/zinc/48/58/80/556485880.db2.gz CEUVKJQPUQYRJK-LJQANCHMSA-N 0 3 355.482 2.423 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(c3ccccn3)CC2)cc1 ZINC000369141020 556515029 /nfs/dbraw/zinc/51/50/29/556515029.db2.gz XXALBWSIOJUVHZ-GOSISDBHSA-N 0 3 359.433 2.421 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(N2CCN(CCC)CC2)CC1 ZINC000369154342 556518725 /nfs/dbraw/zinc/51/87/25/556518725.db2.gz HQSYTAQKNZHLPQ-IBGZPJMESA-N 0 3 362.562 2.068 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000369424132 556597420 /nfs/dbraw/zinc/59/74/20/556597420.db2.gz IAMNKRFXFBJFFA-SFHVURJKSA-N 0 3 371.456 2.091 20 30 FEEDHN C#CCCN1CCC(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000369590287 556640702 /nfs/dbraw/zinc/64/07/02/556640702.db2.gz DKDOKJOKWCAPAW-UHFFFAOYSA-N 0 3 370.428 2.412 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000369865281 556716888 /nfs/dbraw/zinc/71/68/88/556716888.db2.gz YCFLLQRKOWMSBZ-BJZITVGISA-N 0 3 374.460 2.386 20 30 FEEDHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000370009015 556756177 /nfs/dbraw/zinc/75/61/77/556756177.db2.gz JMMBKPDNRJWWNK-UWJYYQICSA-N 0 3 354.498 2.391 20 30 FEEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000370009012 556756338 /nfs/dbraw/zinc/75/63/38/556756338.db2.gz JMMBKPDNRJWWNK-DYESRHJHSA-N 0 3 354.498 2.391 20 30 FEEDHN Cc1ccc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1C#N ZINC000370159334 556797458 /nfs/dbraw/zinc/79/74/58/556797458.db2.gz ICCJAIHVKQMXAX-UHFFFAOYSA-N 0 3 354.498 2.497 20 30 FEEDHN CN(C)C(=O)c1ccc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)[nH]1 ZINC000370255651 556822864 /nfs/dbraw/zinc/82/28/64/556822864.db2.gz HLCBIIFCRSHXKJ-QGZVFWFLSA-N 0 3 351.454 2.347 20 30 FEEDHN N#Cc1ccc(CSCC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000370487926 556887800 /nfs/dbraw/zinc/88/78/00/556887800.db2.gz QFEOESKWWJVPOC-SFHVURJKSA-N 0 3 359.495 2.161 20 30 FEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000517214122 562079697 /nfs/dbraw/zinc/07/96/97/562079697.db2.gz ZFFCYBABMWKHNW-CVEARBPZSA-N 0 3 356.470 2.070 20 30 FEEDHN C=CCOc1ccc(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1OC ZINC000371328198 557147939 /nfs/dbraw/zinc/14/79/39/557147939.db2.gz SUASWHCOYSZFPT-HXUWFJFHSA-N 0 3 373.453 2.070 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000517375343 562087579 /nfs/dbraw/zinc/08/75/79/562087579.db2.gz UZMKTAIERDQZLT-RHSMWYFYSA-N 0 3 371.462 2.284 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371344613 557153845 /nfs/dbraw/zinc/15/38/45/557153845.db2.gz MFOBTKSNFMQBFT-LJQANCHMSA-N 0 3 362.562 2.066 20 30 FEEDHN CO[C@@H]1COC[C@@H]1NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000517707714 562095796 /nfs/dbraw/zinc/09/57/96/562095796.db2.gz FWGGOMUXXWWCKB-TUKIKUTGSA-N 0 3 363.483 2.077 20 30 FEEDHN COC1CCN(C(C)(C)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000518080094 562104093 /nfs/dbraw/zinc/10/40/93/562104093.db2.gz AEEKTHNVNTWOLJ-OAHLLOKOSA-N 0 3 359.470 2.331 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCCN(C(=O)C2CCC2)C2CC2)CC1 ZINC000518252794 562107291 /nfs/dbraw/zinc/10/72/91/562107291.db2.gz FXEGPWYYPKWGSD-UHFFFAOYSA-N 0 3 362.518 2.117 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCCN(c3cncc(F)c3)CC2)cc1 ZINC000371985699 557347205 /nfs/dbraw/zinc/34/72/05/557347205.db2.gz VFIZJZHKVUKPMZ-LJQANCHMSA-N 0 3 370.428 2.044 20 30 FEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCC(=O)Nc3sc(C)c(C)c3C#N)[C@@H]2C1 ZINC000518828280 562119500 /nfs/dbraw/zinc/11/95/00/562119500.db2.gz FUVHKCNYTNRPMY-UAGQMJEPSA-N 0 3 374.510 2.412 20 30 FEEDHN N#Cc1ccc2ncc(CNC[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)n2c1 ZINC000372397456 557460229 /nfs/dbraw/zinc/46/02/29/557460229.db2.gz UPNRSPHVDCLPST-CVEARBPZSA-N 0 3 364.409 2.476 20 30 FEEDHN C=CCN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372597804 557515959 /nfs/dbraw/zinc/51/59/59/557515959.db2.gz BZSYVBXTUGMSPD-MOPGFXCFSA-N 0 3 355.482 2.144 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(c3cccs3)C(=O)C2)cc1 ZINC000373403537 557687481 /nfs/dbraw/zinc/68/74/81/557687481.db2.gz OVPUYBTVXUAXCD-INIZCTEOSA-N 0 3 364.430 2.177 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC)C2)CC1 ZINC000373949298 557794359 /nfs/dbraw/zinc/79/43/59/557794359.db2.gz GOLFHVBUIJGQBK-RBUKOAKNSA-N 0 3 371.481 2.235 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C2CCN(c3ncnc4ccccc43)CC2)C1=O ZINC000374111158 557825086 /nfs/dbraw/zinc/82/50/86/557825086.db2.gz ZXVSJNOZOSOQDB-LJQANCHMSA-N 0 3 365.481 2.317 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000520844441 562165045 /nfs/dbraw/zinc/16/50/45/562165045.db2.gz XGASRJASRNDGDJ-CABCVRRESA-N 0 3 374.510 2.477 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000374318165 557864460 /nfs/dbraw/zinc/86/44/60/557864460.db2.gz PNKIRJVPPMOGDI-UHFFFAOYSA-N 0 3 356.470 2.295 20 30 FEEDHN C[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1)C1=CCN(C)CC1 ZINC000374752071 557925608 /nfs/dbraw/zinc/92/56/08/557925608.db2.gz QXMUQFAGBXFNRX-LPHOPBHVSA-N 0 3 367.497 2.477 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521348784 562174645 /nfs/dbraw/zinc/17/46/45/562174645.db2.gz RYTLWWNQBSDOQO-JKSUJKDBSA-N 0 3 359.449 2.060 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)c(F)c1 ZINC000375004039 557962848 /nfs/dbraw/zinc/96/28/48/557962848.db2.gz XDTFZYKZFYADDP-CYBMUJFWSA-N 0 3 361.392 2.018 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@@H]21 ZINC000375018187 557964993 /nfs/dbraw/zinc/96/49/93/557964993.db2.gz IULDCJLKDGWDPJ-QAPCUYQASA-N 0 3 354.454 2.220 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000375872955 558091929 /nfs/dbraw/zinc/09/19/29/558091929.db2.gz GPVQFDMEYRRGAT-SFHVURJKSA-N 0 3 372.538 2.277 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(OC)c(O)c(OC)c2)CC1 ZINC000521603257 562179967 /nfs/dbraw/zinc/17/99/67/562179967.db2.gz BENWWJRAJKSZRO-UHFFFAOYSA-N 0 3 363.458 2.249 20 30 FEEDHN CCCN(C)CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000521649156 562181147 /nfs/dbraw/zinc/18/11/47/562181147.db2.gz BRUGCCCETKWZLD-UHFFFAOYSA-N 0 3 351.454 2.097 20 30 FEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000376348875 558161561 /nfs/dbraw/zinc/16/15/61/558161561.db2.gz HNUMEZRHROOZSZ-MLGOLLRUSA-N 0 3 353.875 2.459 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)CC1 ZINC000376357716 558162561 /nfs/dbraw/zinc/16/25/61/558162561.db2.gz YXNCAPBWURZYGD-SFHVURJKSA-N 0 3 374.460 2.049 20 30 FEEDHN N#CCCCCS(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000377770843 558416727 /nfs/dbraw/zinc/41/67/27/558416727.db2.gz QWQQALBUDWGGAF-MOPGFXCFSA-N 0 3 361.511 2.464 20 30 FEEDHN N#Cc1cc([N+](=O)[O-])cnc1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397628471 558625050 /nfs/dbraw/zinc/62/50/50/558625050.db2.gz MBSBJJLDRPIUPH-UHFFFAOYSA-N 0 3 367.409 2.300 20 30 FEEDHN C[C@H](C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)n1cnc(C#N)n1 ZINC000409491557 558696843 /nfs/dbraw/zinc/69/68/43/558696843.db2.gz AEWDJPMCAJUERV-SJLPKXTDSA-N 0 3 366.469 2.300 20 30 FEEDHN CCN(CC)[C@H](CNS(=O)(=O)N(CC)CCC#N)Cc1ccccc1 ZINC000409562256 558703327 /nfs/dbraw/zinc/70/33/27/558703327.db2.gz PKOUXEZEZWXVQC-SFHVURJKSA-N 0 3 366.531 2.009 20 30 FEEDHN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC000410108737 558739051 /nfs/dbraw/zinc/73/90/51/558739051.db2.gz XTWMWPMMKBYYLR-PKOBYXMFSA-N 0 3 373.472 2.283 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000410452626 558760832 /nfs/dbraw/zinc/76/08/32/558760832.db2.gz WMXPGMVJPBUAPE-UHFFFAOYSA-N 0 3 357.498 2.188 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c(F)c1 ZINC000525697088 562252487 /nfs/dbraw/zinc/25/24/87/562252487.db2.gz KCFGSYMOVVRWMR-OAHLLOKOSA-N 0 3 351.447 2.194 20 30 FEEDHN CC(C)(COc1ncccc1C(F)(F)F)NCC(=O)NC1(C#N)CCC1 ZINC000525886513 562258682 /nfs/dbraw/zinc/25/86/82/562258682.db2.gz JOZASLOPXHOLDM-UHFFFAOYSA-N 0 3 370.375 2.410 20 30 FEEDHN CC(C)(C)O[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C ZINC000412081212 559011193 /nfs/dbraw/zinc/01/11/93/559011193.db2.gz RMGRAKQPQSJNMV-LSDHHAIUSA-N 0 3 365.499 2.299 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCCNC1=O ZINC000412993254 559069272 /nfs/dbraw/zinc/06/92/72/559069272.db2.gz XICVDCNIUCURKD-HNNXBMFYSA-N 0 3 363.531 2.111 20 30 FEEDHN C=CCCCNC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413505524 559112729 /nfs/dbraw/zinc/11/27/29/559112729.db2.gz RAVOMVLDPPUDAK-UHFFFAOYSA-N 0 3 358.486 2.149 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000413943878 559142227 /nfs/dbraw/zinc/14/22/27/559142227.db2.gz IYZJKLNFMXCBJY-HSALFYBXSA-N 0 3 361.445 2.486 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)cc1C#N ZINC000415399021 559231399 /nfs/dbraw/zinc/23/13/99/559231399.db2.gz XTSBWROSXQOWEV-QGZVFWFLSA-N 0 3 366.421 2.100 20 30 FEEDHN C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CN1CCN(C)CC1 ZINC000416688321 559329821 /nfs/dbraw/zinc/32/98/21/559329821.db2.gz PABOJIAUIACLEO-OXJNMPFZSA-N 0 3 369.513 2.118 20 30 FEEDHN C=CCn1c(-c2ncccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000417462236 559362975 /nfs/dbraw/zinc/36/29/75/559362975.db2.gz WMBNPJMLODUINX-UHFFFAOYSA-N 0 3 355.490 2.479 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419064077 559426781 /nfs/dbraw/zinc/42/67/81/559426781.db2.gz XGJAYIXYOJFABE-MOPGFXCFSA-N 0 3 357.498 2.314 20 30 FEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](N)C1 ZINC000419159687 559430566 /nfs/dbraw/zinc/43/05/66/559430566.db2.gz XQIYYJPDOUDTPV-QGTPRVQTSA-N 0 3 361.461 2.330 20 30 FEEDHN CN(C)C1(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000419821362 559461117 /nfs/dbraw/zinc/46/11/17/559461117.db2.gz VQJUYYKPCHUMES-UHFFFAOYSA-N 0 3 361.445 2.235 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419921074 559464615 /nfs/dbraw/zinc/46/46/15/559464615.db2.gz XMXILPNCGQGPGE-IBGZPJMESA-N 0 3 364.449 2.113 20 30 FEEDHN C=CCC[C@@H]1NC(=O)N(Cc2ccc(CN3CCC(O)CC3)cc2)C1=O ZINC000420004845 559468510 /nfs/dbraw/zinc/46/85/10/559468510.db2.gz WAMMESCUCFHQQJ-SFHVURJKSA-N 0 3 357.454 2.030 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@H]3CCCN3C)C2)n1 ZINC000421715136 559550628 /nfs/dbraw/zinc/55/06/28/559550628.db2.gz XBQXIASXWNAOMY-ZWKOTPCHSA-N 0 3 355.486 2.031 20 30 FEEDHN COC(=O)[C@@H](CNC(=O)[C@H](N)CCCC#N)Cc1ccc2ccccc2c1 ZINC000424121946 559655522 /nfs/dbraw/zinc/65/55/22/559655522.db2.gz IQLRWRQEXUPHQR-RTBURBONSA-N 0 3 367.449 2.309 20 30 FEEDHN COc1cc(OC)c(NC(=O)[C@@H](N)CCCC#N)cc1Br ZINC000424168583 559656621 /nfs/dbraw/zinc/65/66/21/559656621.db2.gz GDBICYJAGYLVTB-JTQLQIEISA-N 0 3 356.220 2.426 20 30 FEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000424326990 559661522 /nfs/dbraw/zinc/66/15/22/559661522.db2.gz MILPMTDLPCTFLN-HLLBOEOZSA-N 0 3 363.483 2.050 20 30 FEEDHN Cc1cc(CN)cc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000424475885 559666722 /nfs/dbraw/zinc/66/67/22/559666722.db2.gz ZLKLITCMQOVGRC-UHFFFAOYSA-N 0 3 362.433 2.455 20 30 FEEDHN C=CCCn1cc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)nn1 ZINC000424632271 559671764 /nfs/dbraw/zinc/67/17/64/559671764.db2.gz UBAUQRKWXPOLQK-UHFFFAOYSA-N 0 3 368.485 2.028 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000425385000 559699146 /nfs/dbraw/zinc/69/91/46/559699146.db2.gz MWOWPWGOTDZSKV-VQIMIIECSA-N 0 3 368.481 2.164 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425428491 559701880 /nfs/dbraw/zinc/70/18/80/559701880.db2.gz WCEBNWXGVCUVIC-FXAWDEMLSA-N 0 3 369.513 2.316 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000425724268 559716100 /nfs/dbraw/zinc/71/61/00/559716100.db2.gz KHNWARYILPHDTR-IHPCNDPISA-N 0 3 373.497 2.034 20 30 FEEDHN CC[NH+](CC)Cc1ccccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428272617 559772641 /nfs/dbraw/zinc/77/26/41/559772641.db2.gz VTIKUCYDRVEWKS-UHFFFAOYSA-N 0 3 358.467 2.274 20 30 FEEDHN CCN(CC)[C@@H](CNS(=O)(=O)c1cccnc1C#N)Cc1ccccc1 ZINC000428272072 559772659 /nfs/dbraw/zinc/77/26/59/559772659.db2.gz RJOSFLPLVOPZGU-QGZVFWFLSA-N 0 3 372.494 2.185 20 30 FEEDHN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC000428549547 559777856 /nfs/dbraw/zinc/77/78/56/559777856.db2.gz QBCMAOGHUXGAAI-CTNGQTDRSA-N 0 3 374.444 2.446 20 30 FEEDHN CCCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O ZINC000429124765 559791209 /nfs/dbraw/zinc/79/12/09/559791209.db2.gz ARYMMJRCHFXXEJ-UHFFFAOYSA-N 0 3 362.499 2.415 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433358541 559878435 /nfs/dbraw/zinc/87/84/35/559878435.db2.gz BUTBCZNDGPFUQS-QUCCMNQESA-N 0 3 356.514 2.149 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000433362030 559878587 /nfs/dbraw/zinc/87/85/87/559878587.db2.gz ONWWMLJDHILFHR-ZIAGYGMSSA-N 0 3 353.344 2.038 20 30 FEEDHN COC[C@H](N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@@H]1CCCO1 ZINC000434781746 559909258 /nfs/dbraw/zinc/90/92/58/559909258.db2.gz DEOHQTSFKUKYGW-ASLPWWTFSA-N 0 3 351.491 2.089 20 30 FEEDHN CC(=O)NC[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000434834845 559910407 /nfs/dbraw/zinc/91/04/07/559910407.db2.gz VTAWXOXYEGAJPF-QGZVFWFLSA-N 0 3 366.469 2.207 20 30 FEEDHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000440042682 560003689 /nfs/dbraw/zinc/00/36/89/560003689.db2.gz BHBDSSDQMLVNNJ-GJZGRUSLSA-N 0 3 367.490 2.485 20 30 FEEDHN CO[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1(C)C ZINC000440342488 560009081 /nfs/dbraw/zinc/00/90/81/560009081.db2.gz RLKVVFUWHMEFSZ-QZTJIDSGSA-N 0 3 358.486 2.445 20 30 FEEDHN C=CCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000441386108 560030918 /nfs/dbraw/zinc/03/09/18/560030918.db2.gz PQFKMXSDWBOHPP-UHFFFAOYSA-N 0 3 370.409 2.288 20 30 FEEDHN CCCCN(C)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441979899 560041786 /nfs/dbraw/zinc/04/17/86/560041786.db2.gz IGLGRKDHBJLRNB-UHFFFAOYSA-N 0 3 370.375 2.364 20 30 FEEDHN CCN1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)CC1 ZINC000443523821 560086386 /nfs/dbraw/zinc/08/63/86/560086386.db2.gz QSQMRXOENWUGRK-CYBMUJFWSA-N 0 3 353.392 2.188 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448326049 560184680 /nfs/dbraw/zinc/18/46/80/560184680.db2.gz VWAXGDULSMWTCK-QGZVFWFLSA-N 0 3 372.469 2.132 20 30 FEEDHN CN(CCNS(=O)(=O)Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000451133404 560288994 /nfs/dbraw/zinc/28/89/94/560288994.db2.gz YTSKUCWNGBDKTG-UHFFFAOYSA-N 0 3 353.463 2.381 20 30 FEEDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451151045 560289981 /nfs/dbraw/zinc/28/99/81/560289981.db2.gz VEERVKWOTGLOLG-CQSZACIVSA-N 0 3 355.891 2.416 20 30 FEEDHN CC[C@@H]1[C@@H](CO)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451253352 560296124 /nfs/dbraw/zinc/29/61/24/560296124.db2.gz JNWGCEWMFDTREN-NVXWUHKLSA-N 0 3 368.399 2.266 20 30 FEEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000451595098 560316534 /nfs/dbraw/zinc/31/65/34/560316534.db2.gz CERKERXPQSWRTM-SJORKVTESA-N 0 3 364.467 2.043 20 30 FEEDHN C=CCn1c([C@H](C)OCCOC)nnc1N1CCCN(C(C)C)CC1 ZINC000453452367 560387186 /nfs/dbraw/zinc/38/71/86/560387186.db2.gz SYHRQFRKROTLRB-INIZCTEOSA-N 0 3 351.495 2.109 20 30 FEEDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453632341 560392189 /nfs/dbraw/zinc/39/21/89/560392189.db2.gz HSWXLZWXBVMIPA-UHFFFAOYSA-N 0 3 362.861 2.145 20 30 FEEDHN CC(C)N(C)CCNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453650530 560393471 /nfs/dbraw/zinc/39/34/71/560393471.db2.gz WOHZRTJXKHDOAD-UHFFFAOYSA-N 0 3 360.458 2.130 20 30 FEEDHN CCC(CC)[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)N(C)C ZINC000453650096 560393474 /nfs/dbraw/zinc/39/34/74/560393474.db2.gz WGAPVMYQUJWBMY-HNNXBMFYSA-N 0 3 365.865 2.028 20 30 FEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453676594 560395888 /nfs/dbraw/zinc/39/58/88/560395888.db2.gz UKTJWIGYJQTOAM-GOSISDBHSA-N 0 3 356.470 2.318 20 30 FEEDHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453691155 560397145 /nfs/dbraw/zinc/39/71/45/560397145.db2.gz JEBDYFCVMHAALZ-CQSZACIVSA-N 0 3 362.861 2.287 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453771260 560403128 /nfs/dbraw/zinc/40/31/28/560403128.db2.gz UJMAVJGPUVBNIM-CABCVRRESA-N 0 3 374.872 2.430 20 30 FEEDHN C=CCCCCNC(=O)N1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000454825018 560459563 /nfs/dbraw/zinc/45/95/63/560459563.db2.gz YDBRIQLBORXTFW-IBGZPJMESA-N 0 3 364.534 2.319 20 30 FEEDHN C[C@H]1CN(CCCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCCO1 ZINC000455760076 560494041 /nfs/dbraw/zinc/49/40/41/560494041.db2.gz MDVXMOWHLIWFAQ-LBPRGKRZSA-N 0 3 351.838 2.229 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CNC(C)(C)CN(C)C)c1C#N ZINC000459550681 560693497 /nfs/dbraw/zinc/69/34/97/560693497.db2.gz QAIXPFVGURPKLM-UHFFFAOYSA-N 0 3 371.485 2.486 20 30 FEEDHN N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000461944955 560788984 /nfs/dbraw/zinc/78/89/84/560788984.db2.gz WNEHEBKCNUVKDZ-ZYSHUDEJSA-N 0 3 356.470 2.135 20 30 FEEDHN N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000461944953 560789136 /nfs/dbraw/zinc/78/91/36/560789136.db2.gz WNEHEBKCNUVKDZ-KFKAGJAMSA-N 0 3 356.470 2.135 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)NCC1(N(C)C)CCCCCC1 ZINC000463699875 560821711 /nfs/dbraw/zinc/82/17/11/560821711.db2.gz SRYHXRXWOXLDLW-UHFFFAOYSA-N 0 3 365.499 2.500 20 30 FEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000467022145 560901675 /nfs/dbraw/zinc/90/16/75/560901675.db2.gz HCFSLQYJDLFONU-QFBILLFUSA-N 0 3 368.481 2.312 20 30 FEEDHN Cc1cn2ccnc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2n1 ZINC000469014049 560944790 /nfs/dbraw/zinc/94/47/90/560944790.db2.gz QAQARKBYLNWESR-UHFFFAOYSA-N 0 3 362.437 2.113 20 30 FEEDHN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCN1CCCC(C)(C)C1 ZINC000470283939 560978042 /nfs/dbraw/zinc/97/80/42/560978042.db2.gz OYZCMBWMCVUWJF-LJQANCHMSA-N 0 3 351.491 2.486 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000473653915 561055120 /nfs/dbraw/zinc/05/51/20/561055120.db2.gz KBKIVPRQELCLLF-UHFFFAOYSA-N 0 3 359.474 2.104 20 30 FEEDHN CN(C)C(=O)CCN1CCC(NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000475759413 561104496 /nfs/dbraw/zinc/10/44/96/561104496.db2.gz YLAURACRBZDFSU-GOSISDBHSA-N 0 3 370.497 2.133 20 30 FEEDHN N#CC1(C[C@H](O)CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CC1 ZINC000528475475 562331248 /nfs/dbraw/zinc/33/12/48/562331248.db2.gz PCIDNCFZXDWOQP-GQIGUUNPSA-N 0 3 356.470 2.430 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CCCOC2)cc1 ZINC000529079281 562359239 /nfs/dbraw/zinc/35/92/39/562359239.db2.gz GKHRCJQSGXHQLA-UONOGXRCSA-N 0 3 365.455 2.311 20 30 FEEDHN N#Cc1cnn(-c2ccc(C(=O)NC[C@H]3CCN3C3CCCC3)cc2)c1N ZINC000530023524 562394566 /nfs/dbraw/zinc/39/45/66/562394566.db2.gz FWYAIPLQODDZPR-GOSISDBHSA-N 0 3 364.453 2.073 20 30 FEEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530026169 562395120 /nfs/dbraw/zinc/39/51/20/562395120.db2.gz AJXZIHUQEUGJMN-SFHVURJKSA-N 0 3 357.502 2.479 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCN(c2ccccc2F)C1 ZINC000530233351 562403309 /nfs/dbraw/zinc/40/33/09/562403309.db2.gz IBOGZTQSZULVHJ-IAGOWNOFSA-N 0 3 355.413 2.306 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCN2C2CCCCC2)cc1 ZINC000530237455 562403483 /nfs/dbraw/zinc/40/34/83/562403483.db2.gz VTULOTRMHVVWNJ-GOSISDBHSA-N 0 3 361.511 2.329 20 30 FEEDHN N#Cc1ccsc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000534917939 562545193 /nfs/dbraw/zinc/54/51/93/562545193.db2.gz YGIHJEKFWPRLEU-IRXDYDNUSA-N 0 3 355.463 2.233 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)CC1 ZINC000535723731 562565509 /nfs/dbraw/zinc/56/55/09/562565509.db2.gz PEYDDUFKQSMNQC-UHFFFAOYSA-N 0 3 368.485 2.358 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000537127562 562586162 /nfs/dbraw/zinc/58/61/62/562586162.db2.gz VSSYOZIMFUDORX-DOXZYTNZSA-N 0 3 354.458 2.361 20 30 FEEDHN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1cccc(C#N)c1 ZINC000540788203 562593150 /nfs/dbraw/zinc/59/31/50/562593150.db2.gz ASOBKJTXIVINDO-UTKZUKDTSA-N 0 3 364.493 2.498 20 30 FEEDHN CN(C)c1nccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 ZINC000541164207 562604778 /nfs/dbraw/zinc/60/47/78/562604778.db2.gz ZWYHJINBRFWFNG-MRXNPFEDSA-N 0 3 354.433 2.312 20 30 FEEDHN COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)N(C)C ZINC000546002674 562632462 /nfs/dbraw/zinc/63/24/62/562632462.db2.gz OOLGWSVKWQRCKC-KRWDZBQOSA-N 0 3 372.469 2.132 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2CCSC)CC1 ZINC000602025395 567903485 /nfs/dbraw/zinc/90/34/85/567903485.db2.gz BMIIZBFVGDVMOT-UHFFFAOYSA-N 0 3 361.511 2.297 20 30 FEEDHN N#CCCN1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000602223313 567957050 /nfs/dbraw/zinc/95/70/50/567957050.db2.gz OFVPFQKZTHLUIJ-IBGZPJMESA-N 0 3 355.486 2.064 20 30 FEEDHN N#CCCN1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000602224099 567957144 /nfs/dbraw/zinc/95/71/44/567957144.db2.gz CUCIYGBBDPHWCF-MRXNPFEDSA-N 0 3 361.515 2.126 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000602538555 567992603 /nfs/dbraw/zinc/99/26/03/567992603.db2.gz NFLAOSGMYMRJGB-SJORKVTESA-N 0 3 364.877 2.073 20 30 FEEDHN COc1cccc(C2(NC(=O)[C@@H](N)CCCCC#N)CCOCC2)c1F ZINC000602605134 567997039 /nfs/dbraw/zinc/99/70/39/567997039.db2.gz UWDLBYVLNPICGY-HNNXBMFYSA-N 0 3 363.433 2.367 20 30 FEEDHN C[C@H]1CN(CCCCCn2nnc(-c3ccccc3)n2)C[C@H](C)N1CC#N ZINC000602858809 568003080 /nfs/dbraw/zinc/00/30/80/568003080.db2.gz VHVBZZZFDYVOKJ-ROUUACIJSA-N 0 3 367.501 2.429 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(CCN(C)C)nn1 ZINC000603199521 568072920 /nfs/dbraw/zinc/07/29/20/568072920.db2.gz SRWSDVNNJABUGP-CQSZACIVSA-N 0 3 358.421 2.029 20 30 FEEDHN Cc1nccc([C@@H]2CCCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000603834464 568158803 /nfs/dbraw/zinc/15/88/03/568158803.db2.gz VARWMHPXYCRZHT-RTBURBONSA-N 0 3 366.465 2.470 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000557853557 674471279 /nfs/dbraw/zinc/47/12/79/674471279.db2.gz AKWDAKMMWSOZJA-LRDDRELGSA-N 0 3 353.875 2.459 20 30 FEEDHN CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(CC(=O)[O-])CC2)ccc1OC ZINC000833636442 605227189 /nfs/dbraw/zinc/22/71/89/605227189.db2.gz ROZUBFGLSZKETL-MRXNPFEDSA-N 0 3 361.442 2.015 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCSC3(CCCCC3)C2)CC1 ZINC000562869617 674817676 /nfs/dbraw/zinc/81/76/76/674817676.db2.gz RVJCJTWPILEBET-UHFFFAOYSA-N 0 3 365.543 2.031 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000815082152 674913982 /nfs/dbraw/zinc/91/39/82/674913982.db2.gz BPPNTAXNBYRLJB-UHFFFAOYSA-N 0 3 373.316 2.299 20 30 FEEDHN C=CCOCCNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000648509840 677316904 /nfs/dbraw/zinc/31/69/04/677316904.db2.gz GFUDILTZRNOLQP-LBPRGKRZSA-N 0 3 371.275 2.255 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000817140595 675103427 /nfs/dbraw/zinc/10/34/27/675103427.db2.gz BWOTYXNRLQMQKL-UHFFFAOYSA-N 0 3 366.817 2.175 20 30 FEEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCC(=O)N(C)C1 ZINC000084060236 670664238 /nfs/dbraw/zinc/66/42/38/670664238.db2.gz NJMQDEIRSUIGRE-CQSZACIVSA-N 0 3 351.244 2.172 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000566110044 675181808 /nfs/dbraw/zinc/18/18/08/675181808.db2.gz WVLPKKOEKUJRGU-IXDOHACOSA-N 0 3 363.527 2.288 20 30 FEEDHN N#CCN1CCC(OC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000120944601 671939370 /nfs/dbraw/zinc/93/93/70/671939370.db2.gz UYMMZSFHHVHACN-MRXNPFEDSA-N 0 3 361.829 2.224 20 30 FEEDHN C#CCCOc1ccc(CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000122156606 671963069 /nfs/dbraw/zinc/96/30/69/671963069.db2.gz CRUCLQKOEGGNJR-UHFFFAOYSA-N 0 3 364.492 2.218 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000125171388 672007708 /nfs/dbraw/zinc/00/77/08/672007708.db2.gz WLKSRYMKEIXACC-GXTWGEPZSA-N 0 3 352.818 2.277 20 30 FEEDHN N#CCCN(C(=O)CN1CC[C@@H](c2nc[nH]n2)C1)c1cccc(Cl)c1 ZINC000583990760 672145395 /nfs/dbraw/zinc/14/53/95/672145395.db2.gz NIFZNVMUMPAZQV-CYBMUJFWSA-N 0 3 358.833 2.194 20 30 FEEDHN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000584756267 672212694 /nfs/dbraw/zinc/21/26/94/672212694.db2.gz TZVDYTZXSATDSY-AWEZNQCLSA-N 0 3 365.474 2.333 20 30 FEEDHN Cc1cnc(CON=C(N)c2ccccc2CN2CCC(O)CC2)s1 ZINC000179905383 672406898 /nfs/dbraw/zinc/40/68/98/672406898.db2.gz CBYCYPCMNIKQAV-UHFFFAOYSA-N 0 3 360.483 2.245 20 30 FEEDHN CSc1ccc([C@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)N(C)C)cc1 ZINC000592026537 672735885 /nfs/dbraw/zinc/73/58/85/672735885.db2.gz AWOZIJNOPKIAIR-WMZOPIPTSA-N 0 3 362.499 2.071 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1cnn(C)c1 ZINC000726319743 673115909 /nfs/dbraw/zinc/11/59/09/673115909.db2.gz NJFKOMXXLFMHEC-GFCCVEGCSA-N 0 3 360.801 2.281 20 30 FEEDHN CN1CCN(CCCNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726446782 673122505 /nfs/dbraw/zinc/12/25/05/673122505.db2.gz JHVRHPWMSZJFNN-UHFFFAOYSA-N 0 3 351.907 2.136 20 30 FEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCCCNC1=O ZINC000729851746 673250548 /nfs/dbraw/zinc/25/05/48/673250548.db2.gz KMALSWLNXKJCII-GXTWGEPZSA-N 0 3 356.451 2.073 20 30 FEEDHN C=CCNC(=O)NC(=O)CN[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670306 673281354 /nfs/dbraw/zinc/28/13/54/673281354.db2.gz BCVIFONXTFHJME-GOSISDBHSA-N 0 3 365.861 2.033 20 30 FEEDHN c1cc2c(ccnc2N=NC2CCN(CCN3CCOCC3)CC2)s1 ZINC000731558154 673334024 /nfs/dbraw/zinc/33/40/24/673334024.db2.gz KIQWWKJOHUAZBD-UHFFFAOYSA-N 0 3 359.499 2.492 20 30 FEEDHN C#CCOc1ccc(CNCc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000733326545 673409943 /nfs/dbraw/zinc/40/99/43/673409943.db2.gz JXWFDAJRFCSBOH-UHFFFAOYSA-N 0 3 358.463 2.384 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)CC1 ZINC000597010482 673437728 /nfs/dbraw/zinc/43/77/28/673437728.db2.gz JMPABRQSCRIBBU-ZDUSSCGKSA-N 0 3 365.396 2.210 20 30 FEEDHN CCOCCCN1CCC(=NNS(=O)(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000735224025 673486601 /nfs/dbraw/zinc/48/66/01/673486601.db2.gz KMSLLGGPNDPCFC-INIZCTEOSA-N 0 3 367.515 2.398 20 30 FEEDHN N#Cc1cccc2c1CCN2C(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000597788381 673507101 /nfs/dbraw/zinc/50/71/01/673507101.db2.gz LKSSTHOQMXMEKF-OCCSQVGLSA-N 0 3 354.328 2.431 20 30 FEEDHN CCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCN(C)C1 ZINC000597947212 673522753 /nfs/dbraw/zinc/52/27/53/673522753.db2.gz VSCRRRSEXKYLRR-LBPRGKRZSA-N 0 3 366.259 2.252 20 30 FEEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nnn1C ZINC000744027135 673779761 /nfs/dbraw/zinc/77/97/61/673779761.db2.gz JMWINWAQUUHYMM-LLVKDONJSA-N 0 3 365.365 2.399 20 30 FEEDHN N#CC1(C[C@H](O)CN[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000600732580 673795233 /nfs/dbraw/zinc/79/52/33/673795233.db2.gz SILCODDYMZSZEH-SWLSCSKDSA-N 0 3 351.809 2.229 20 30 FEEDHN C#CCN(C)CCCNC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000818599324 675227427 /nfs/dbraw/zinc/22/74/27/675227427.db2.gz JJDMFHGJTQCQCK-UHFFFAOYSA-N 0 3 351.491 2.285 20 30 FEEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000566791631 675243162 /nfs/dbraw/zinc/24/31/62/675243162.db2.gz CRRRDKGEAVIKHP-LNPFQXMTSA-N 0 3 368.524 2.001 20 30 FEEDHN C=CCC[C@H](O)CN(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 ZINC000649745839 677336664 /nfs/dbraw/zinc/33/66/64/677336664.db2.gz AUTSCMNRCZCZOT-KRWDZBQOSA-N 0 3 352.500 2.242 20 30 FEEDHN CON1CCC(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000839130691 680740277 /nfs/dbraw/zinc/74/02/77/680740277.db2.gz ABYDBVATOUAOOC-CQSZACIVSA-N 0 3 358.467 2.430 20 30 FEEDHN C#C[C@@H](NCCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H]1CCCO1 ZINC000839565640 680762294 /nfs/dbraw/zinc/76/22/94/680762294.db2.gz ZETAAGXYGSYWFT-HIFRSBDPSA-N 0 3 366.845 2.456 20 30 FEEDHN CS[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C[C@H]1N(C)C ZINC000765273085 680838050 /nfs/dbraw/zinc/83/80/50/680838050.db2.gz WKGFMOYLDQSVHN-CABCVRRESA-N 0 3 358.467 2.368 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000751518167 680184865 /nfs/dbraw/zinc/18/48/65/680184865.db2.gz ZSQKUELMDSXIMG-CQSZACIVSA-N 0 3 358.467 2.254 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001022834532 680241130 /nfs/dbraw/zinc/24/11/30/680241130.db2.gz XRNDGPOQLJUUHW-YXPYIKCWSA-N 0 3 365.499 2.260 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C[C@@H]2CC(C)(C)CO2)CC1 ZINC000982179562 680272926 /nfs/dbraw/zinc/27/29/26/680272926.db2.gz WVYAEZLNWMMVDA-BZSNNMDCSA-N 0 3 350.503 2.317 20 30 FEEDHN CO[C@@H]1COCC[C@H]1CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000835060894 680292287 /nfs/dbraw/zinc/29/22/87/680292287.db2.gz OTDZTRNIKANYBS-HZUKXOBISA-N 0 3 350.802 2.429 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(NCc2snnc2C)CC1 ZINC000997086735 680346851 /nfs/dbraw/zinc/34/68/51/680346851.db2.gz VDUGVZIIDWODMD-RDJZCZTQSA-N 0 3 364.515 2.298 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)NCc2cnns2)CC1 ZINC001029101507 680386349 /nfs/dbraw/zinc/38/63/49/680386349.db2.gz HGIOXYIYHLERFT-XKQJLSEDSA-N 0 3 364.515 2.236 20 30 FEEDHN C#CCNC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000836188987 680433553 /nfs/dbraw/zinc/43/35/53/680433553.db2.gz GATDRQKPKOMZLR-UHFFFAOYSA-N 0 3 360.889 2.269 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000836489280 680476097 /nfs/dbraw/zinc/47/60/97/680476097.db2.gz WTNPMFWYQUMXGI-UHFFFAOYSA-N 0 3 362.905 2.122 20 30 FEEDHN C#CCN1CC[C@@]2(CCN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C2)C1 ZINC001041376753 680506389 /nfs/dbraw/zinc/50/63/89/680506389.db2.gz VEQLYDLOLVEYFS-ZMSDIMECSA-N 0 3 358.404 2.434 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)C[C@@H](C)SC)cc1OC ZINC000757407913 680523713 /nfs/dbraw/zinc/52/37/13/680523713.db2.gz DRKZCVUVCUNRIN-OCCSQVGLSA-N 0 3 364.467 2.213 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CNC[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084042 680986702 /nfs/dbraw/zinc/98/67/02/680986702.db2.gz MPPKSSANHPUXIV-CXAGYDPISA-N 0 3 364.804 2.414 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2CCc1ccns1 ZINC001049732657 681038162 /nfs/dbraw/zinc/03/81/62/681038162.db2.gz PJSIOHCRDCGQQS-TVFCKZIOSA-N 0 3 361.511 2.342 20 30 FEEDHN Cc1nsc(NC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1C#N ZINC001054473137 681110762 /nfs/dbraw/zinc/11/07/62/681110762.db2.gz HQIRKJKGOVOPEG-XFJVYGCCSA-N 0 3 361.515 2.170 20 30 FEEDHN COC(=O)c1cnc([C@H]2CCN(C[C@@H](O)c3ccc(C#N)cc3)C2)s1 ZINC000932670203 681282475 /nfs/dbraw/zinc/28/24/75/681282475.db2.gz VYCZUTSDZLABCB-LSDHHAIUSA-N 0 3 357.435 2.324 20 30 FEEDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@H](CC#N)C(F)(F)F ZINC000932892351 681323768 /nfs/dbraw/zinc/32/37/68/681323768.db2.gz GYQFERHSSLXENI-QWHCGFSZSA-N 0 3 362.396 2.116 20 30 FEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1 ZINC000949423973 681639712 /nfs/dbraw/zinc/63/97/12/681639712.db2.gz ZJZPUJMIMKTASR-MSOLQXFVSA-N 0 3 350.503 2.461 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3sc(C)nc3C)C[C@H]21 ZINC000962017811 682106860 /nfs/dbraw/zinc/10/68/60/682106860.db2.gz NQYWXGXDTRKLIU-DTJSUFBGSA-N 0 3 361.511 2.288 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000915892159 685519239 /nfs/dbraw/zinc/51/92/39/685519239.db2.gz CJDUOJSEWYTQRM-LJQANCHMSA-N 0 3 361.511 2.423 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCCS2)cc1 ZINC000783359330 682137599 /nfs/dbraw/zinc/13/75/99/682137599.db2.gz VHDKJIPHYMIYQG-CABCVRRESA-N 0 3 359.451 2.321 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCO[C@H]1CCOC1 ZINC000916410438 685524310 /nfs/dbraw/zinc/52/43/10/685524310.db2.gz UZNQPIYGRICEIN-INIZCTEOSA-N 0 3 366.531 2.390 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCOC(=O)N(C)C ZINC000916410243 685524329 /nfs/dbraw/zinc/52/43/29/685524329.db2.gz PUNAXONNIUETCR-UHFFFAOYSA-N 0 3 353.492 2.240 20 30 FEEDHN C=C(Br)CNC1CC2(C1)CC(NC(=O)[C@H]1CC[C@@H](C)O1)C2 ZINC000965209300 682187005 /nfs/dbraw/zinc/18/70/05/682187005.db2.gz AAIIDWNBNVNYTO-OFOZEMMXSA-N 0 3 357.292 2.480 20 30 FEEDHN CC(=O)Nc1ccc(S[C@H](C)C(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000916875256 685528484 /nfs/dbraw/zinc/52/84/84/685528484.db2.gz LOEKABYRHRMSKJ-MLGOLLRUSA-N 0 3 359.451 2.457 20 30 FEEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)cc1 ZINC000917018161 685529110 /nfs/dbraw/zinc/52/91/10/685529110.db2.gz HXQKIXRDHRWGDK-ZDUSSCGKSA-N 0 3 351.353 2.471 20 30 FEEDHN COC(=O)N(C)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786531898 682384420 /nfs/dbraw/zinc/38/44/20/682384420.db2.gz VVLSVKSZNNRXPY-AWEZNQCLSA-N 0 3 365.817 2.143 20 30 FEEDHN COC(=O)CCN1CCC(N=Nc2ccnc(Br)c2)CC1 ZINC000788722762 682554141 /nfs/dbraw/zinc/55/41/41/682554141.db2.gz DMVDXFKPWDAJMG-UHFFFAOYSA-N 0 3 355.236 2.271 20 30 FEEDHN CC(C)[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1 ZINC000856490876 682788993 /nfs/dbraw/zinc/78/89/93/682788993.db2.gz TYVZSYTZVQBYBZ-CABCVRRESA-N 0 3 352.479 2.030 20 30 FEEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](C)S1=O ZINC000792395876 682809050 /nfs/dbraw/zinc/80/90/50/682809050.db2.gz ZJLCVUVAMQOYBS-UPJWGTAASA-N 0 3 361.492 2.314 20 30 FEEDHN Cn1nccc1COCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000793126691 682866030 /nfs/dbraw/zinc/86/60/30/682866030.db2.gz VFKJWBLUIZAARA-GFCCVEGCSA-N 0 3 364.764 2.077 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@H](O)[C@@H]1CCCO1 ZINC000858226490 682947072 /nfs/dbraw/zinc/94/70/72/682947072.db2.gz OEDGDMLGOPHUNQ-HOCLYGCPSA-N 0 3 354.244 2.091 20 30 FEEDHN C=CCN1CCC(NC(=O)N(CC)CCNC(=O)OC(C)(C)C)CC1 ZINC000858236197 682947911 /nfs/dbraw/zinc/94/79/11/682947911.db2.gz DHFUVRCSGWOVIQ-UHFFFAOYSA-N 0 3 354.495 2.193 20 30 FEEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC1OCCO1 ZINC000796790258 683195925 /nfs/dbraw/zinc/19/59/25/683195925.db2.gz QTNRWEHTFDWWKB-JTQLQIEISA-N 0 3 352.774 2.067 20 30 FEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000860471887 683248146 /nfs/dbraw/zinc/24/81/46/683248146.db2.gz WKZOMYYSFRZREQ-PAPYEOQZSA-N 0 3 359.223 2.322 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000919965214 683310043 /nfs/dbraw/zinc/31/00/43/683310043.db2.gz UAJKKSPDPLVGQW-UHFFFAOYSA-N 0 3 362.857 2.115 20 30 FEEDHN Cn1nncc1C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000798817337 683394558 /nfs/dbraw/zinc/39/45/58/683394558.db2.gz WVULFGZRVNPHPW-JTQLQIEISA-N 0 3 351.338 2.091 20 30 FEEDHN CCN1CCN(c2ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc2)CC1 ZINC000928809975 683507168 /nfs/dbraw/zinc/50/71/68/683507168.db2.gz SNEWJXLGOITOTK-HNNXBMFYSA-N 0 3 354.376 2.403 20 30 FEEDHN C[C@H](CNCc1cc(C#N)ccc1Br)CN1CCOCC1 ZINC000921763937 683567992 /nfs/dbraw/zinc/56/79/92/683567992.db2.gz DCSURAZEUJXSTF-CYBMUJFWSA-N 0 3 352.276 2.379 20 30 FEEDHN C#CCN(C(=O)NCc1c(F)cc(F)c(F)c1F)C1CCN(C)CC1 ZINC000922248650 683687765 /nfs/dbraw/zinc/68/77/65/683687765.db2.gz QZMAVTBRUMURCA-UHFFFAOYSA-N 0 3 357.351 2.482 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000876606257 686227009 /nfs/dbraw/zinc/22/70/09/686227009.db2.gz ZJVUAEUOPHWVSN-GJZGRUSLSA-N 0 3 351.834 2.095 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000876618894 686229061 /nfs/dbraw/zinc/22/90/61/686229061.db2.gz IMVIZFNESGEKAI-CQSZACIVSA-N 0 3 366.845 2.050 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000876626940 686231251 /nfs/dbraw/zinc/23/12/51/686231251.db2.gz MJKPRUYZHRWHPY-ZDUSSCGKSA-N 0 3 374.243 2.233 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000876630350 686232384 /nfs/dbraw/zinc/23/23/84/686232384.db2.gz XPKRNOVASXKGBT-AWEZNQCLSA-N 0 3 353.875 2.284 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000876669207 686240407 /nfs/dbraw/zinc/24/04/07/686240407.db2.gz DQBRMYYKZQXWKL-HIFRSBDPSA-N 0 3 365.861 2.403 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000876669209 686240462 /nfs/dbraw/zinc/24/04/62/686240462.db2.gz DQBRMYYKZQXWKL-ZFWWWQNUSA-N 0 3 365.861 2.403 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000876675103 686240779 /nfs/dbraw/zinc/24/07/79/686240779.db2.gz CJGZJSPYPBKIED-NSHDSACASA-N 0 3 367.858 2.249 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000876709716 686249860 /nfs/dbraw/zinc/24/98/60/686249860.db2.gz YQXAUMLYVIBSOF-CYBMUJFWSA-N 0 3 364.902 2.410 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000876902457 686291610 /nfs/dbraw/zinc/29/16/10/686291610.db2.gz CQKMBFUQLOTBBY-LSDHHAIUSA-N 0 3 353.894 2.098 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCCS(=O)(=O)Cc1ccccc1 ZINC000876986476 686305778 /nfs/dbraw/zinc/30/57/78/686305778.db2.gz DSNUCTGPOSQRMN-MRXNPFEDSA-N 0 3 350.484 2.290 20 30 FEEDHN C#CCC1(O)CCN(C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000880481509 687052920 /nfs/dbraw/zinc/05/29/20/687052920.db2.gz VNIWLUGUAPBLKI-AWEZNQCLSA-N 0 3 357.372 2.295 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(OC(F)(F)F)cc1)C2 ZINC000884063534 687782601 /nfs/dbraw/zinc/78/26/01/687782601.db2.gz CTFWUEWERLPNLJ-UYJPIKCFSA-N 0 3 353.344 2.341 20 30 FEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](N)CCOC ZINC000884116046 687793049 /nfs/dbraw/zinc/79/30/49/687793049.db2.gz KVDZTIHREOZXEL-CQSZACIVSA-N 0 3 359.239 2.467 20 30 FEEDHN C#CCC1(NC(=O)NCC2(N3CCSCC3)CCCC2)CCOCC1 ZINC000887773401 688490520 /nfs/dbraw/zinc/49/05/20/688490520.db2.gz VQZWBSOEMLBSSZ-UHFFFAOYSA-N 0 3 365.543 2.220 20 30 FEEDHN Cc1ccc(CC(=O)C(C#N)C(=O)NCCCOC(C)C)c(Cl)n1 ZINC000892464506 689199847 /nfs/dbraw/zinc/19/98/47/689199847.db2.gz FAWLJDXMIINTSM-CQSZACIVSA-N 0 3 351.834 2.226 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892495411 689203519 /nfs/dbraw/zinc/20/35/19/689203519.db2.gz BFYJHLRDCAAGDH-IVZWLZJFSA-N 0 3 355.177 2.450 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC[C@H]2C[C@H]2CCCO2)CC1 ZINC000892850300 689253099 /nfs/dbraw/zinc/25/30/99/689253099.db2.gz GKMGNKFKHDGXAP-QZTJIDSGSA-N 0 3 351.491 2.006 20 30 FEEDHN COC(=O)[C@H]1[C@H](CNC2(c3ccc(C#N)cc3)CCOCC2)C1(F)F ZINC000895405577 689710565 /nfs/dbraw/zinc/71/05/65/689710565.db2.gz LKGAKIMQTGFGPP-LSDHHAIUSA-N 0 3 350.365 2.208 20 30 FEEDHN C#C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1ccc(Cl)cc1 ZINC000895684895 689754521 /nfs/dbraw/zinc/75/45/21/689754521.db2.gz GTAAGTPSEGCHAX-OKZBNKHCSA-N 0 3 361.873 2.255 20 30 FEEDHN CN1CCC(N(Cc2ccco2)C(=O)NCc2nc(C#N)cs2)CC1 ZINC000897301852 690002812 /nfs/dbraw/zinc/00/28/12/690002812.db2.gz WAGJWSQHDCTPIL-UHFFFAOYSA-N 0 3 359.455 2.414 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898283285 690153925 /nfs/dbraw/zinc/15/39/25/690153925.db2.gz YCFYHYQJLUIBDC-HNNXBMFYSA-N 0 3 365.499 2.271 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN1CC(Cc2ccc(Br)cc2)C1 ZINC000899899238 690436509 /nfs/dbraw/zinc/43/65/09/690436509.db2.gz WEVJOUXPASWTSN-KRWDZBQOSA-N 0 3 366.303 2.130 20 30 FEEDHN C=C(CCN(C)C)C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000901175527 690621447 /nfs/dbraw/zinc/62/14/47/690621447.db2.gz QXFQUBYCICMZJR-CQSZACIVSA-N 0 3 356.875 2.135 20 30 FEEDHN C#CCN(C(=O)CSC(=S)N1CCC(C)CC1)C1CCN(C)CC1 ZINC000906451862 691270275 /nfs/dbraw/zinc/27/02/75/691270275.db2.gz JUWLQFHVMHAMCE-UHFFFAOYSA-N 0 3 367.584 2.292 20 30 FEEDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907205763 691422380 /nfs/dbraw/zinc/42/23/80/691422380.db2.gz HDUJIIYRAAHUSX-YGRLFVJLSA-N 0 3 372.288 2.034 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2ccsc2)cc1OC ZINC000800387919 674047760 /nfs/dbraw/zinc/04/77/60/674047760.db2.gz WZORIXKBCYCXKZ-CYBMUJFWSA-N 0 3 360.391 2.492 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(NC(=O)C2CC2)CC1 ZINC000030538805 539884530 /nfs/dbraw/zinc/88/45/30/539884530.db2.gz GQQNUAOGPJUFLZ-LJQANCHMSA-N 0 3 358.482 2.145 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000046382095 540254438 /nfs/dbraw/zinc/25/44/38/540254438.db2.gz UADBZADUXNWYGV-GOSISDBHSA-N 0 3 369.513 2.117 20 30 FEEDHN CC(C)(C)NC(=O)CN1CCCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000051499989 540436446 /nfs/dbraw/zinc/43/64/46/540436446.db2.gz JPBFHPVFCVYFEN-UHFFFAOYSA-N 0 3 372.513 2.250 20 30 FEEDHN CN(C)CCn1c2cc(NC(=O)c3sccc3C#N)ccc2oc1=O ZINC000052033466 540451684 /nfs/dbraw/zinc/45/16/84/540451684.db2.gz XAZLVNRWWDTSCE-UHFFFAOYSA-N 0 3 356.407 2.342 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)CN3CCC[C@H](C)C3)cc2C1=O ZINC000055402747 540651216 /nfs/dbraw/zinc/65/12/16/540651216.db2.gz DEIKHNQZDSXXNY-LSDHHAIUSA-N 0 3 369.465 2.319 20 30 FEEDHN C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(C#N)CC1 ZINC000057877459 540821162 /nfs/dbraw/zinc/82/11/62/540821162.db2.gz XEQSHYWCPFMJNP-QGZVFWFLSA-N 0 3 354.498 2.391 20 30 FEEDHN CN1CC=C(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000541906914 541295904 /nfs/dbraw/zinc/29/59/04/541295904.db2.gz MTVCMNXRQWIHKZ-UHFFFAOYSA-N 0 3 354.389 2.266 20 30 FEEDHN C[C@H]1CN(C2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)CCO1 ZINC000066562059 541336225 /nfs/dbraw/zinc/33/62/25/541336225.db2.gz RYQQTSVEVMAHKC-INIZCTEOSA-N 0 3 356.470 2.072 20 30 FEEDHN C#CCOc1ccccc1CNCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000067698630 541500237 /nfs/dbraw/zinc/50/02/37/541500237.db2.gz ZEPKVAAWYMTWCN-KRWDZBQOSA-N 0 3 367.371 2.362 20 30 FEEDHN C[C@H](OC[C@H]1CCCO1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000068791409 541629021 /nfs/dbraw/zinc/62/90/21/541629021.db2.gz FKWWGEXKGVKJKT-QFBILLFUSA-N 0 3 359.470 2.033 20 30 FEEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000073496604 541959387 /nfs/dbraw/zinc/95/93/87/541959387.db2.gz WJVYHMUUBHYYQH-GJZGRUSLSA-N 0 3 374.510 2.429 20 30 FEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074655407 542107489 /nfs/dbraw/zinc/10/74/89/542107489.db2.gz KTMDSDITYBFQIK-GOSISDBHSA-N 0 3 371.529 2.362 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000076512750 542288633 /nfs/dbraw/zinc/28/86/33/542288633.db2.gz BQOPIPRDAWZWCA-UHFFFAOYSA-N 0 3 372.494 2.397 20 30 FEEDHN CN(C)CCN1C[C@H](C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CC1=O ZINC000081368463 542651332 /nfs/dbraw/zinc/65/13/32/542651332.db2.gz PVIWVJNFYGUHMJ-SJLPKXTDSA-N 0 3 370.497 2.075 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(c2nc[nH]n2)CC1 ZINC000083424463 542697303 /nfs/dbraw/zinc/69/73/03/542697303.db2.gz KPIJBVUVWLUMMG-OAHLLOKOSA-N 0 3 352.442 2.319 20 30 FEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000083027309 542689295 /nfs/dbraw/zinc/68/92/95/542689295.db2.gz DFZSNYQDYHPGMN-IXDOHACOSA-N 0 3 359.470 2.331 20 30 FEEDHN C=CCN1CCC(NC(=O)N(CC)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000084438123 542714320 /nfs/dbraw/zinc/71/43/20/542714320.db2.gz SHQSESNVQOLSDU-LJQANCHMSA-N 0 3 370.497 2.474 20 30 FEEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3CN3CCC[C@@H]3CO)o2)cc1 ZINC000085856834 542732754 /nfs/dbraw/zinc/73/27/54/542732754.db2.gz OFXHGBDXJJTHNU-QZTJIDSGSA-N 0 3 367.453 2.029 20 30 FEEDHN CN(CCN1CCCC1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000089898229 542772466 /nfs/dbraw/zinc/77/24/66/542772466.db2.gz XIDJMAKFZQNLEN-UHFFFAOYSA-N 0 3 367.415 2.201 20 30 FEEDHN C[C@@H]1CN(CCCCNC(=O)Cc2cccc(OCC#N)c2)C[C@@H](C)O1 ZINC000090060939 542781382 /nfs/dbraw/zinc/78/13/82/542781382.db2.gz VOJIFANVEYCDNU-IAGOWNOFSA-N 0 3 359.470 2.137 20 30 FEEDHN CCc1nn(C)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000091202203 542798759 /nfs/dbraw/zinc/79/87/59/542798759.db2.gz KADKCKUUHFZITK-UHFFFAOYSA-N 0 3 354.458 2.450 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000091771165 542825016 /nfs/dbraw/zinc/82/50/16/542825016.db2.gz NVNNTUVKNKMKTK-HKUYNNGSSA-N 0 3 373.884 2.073 20 30 FEEDHN CN(CCC#N)C(=O)CCN(C)[C@H](CO)c1cccc(Br)c1 ZINC000092808627 542888351 /nfs/dbraw/zinc/88/83/51/542888351.db2.gz REYGBRYVGNQHJK-OAHLLOKOSA-N 0 3 368.275 2.176 20 30 FEEDHN CC[C@H](CO)N1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000093739788 542939071 /nfs/dbraw/zinc/93/90/71/542939071.db2.gz LDDZGKZBBVYHHL-HXUWFJFHSA-N 0 3 367.497 2.352 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)cn1 ZINC000101568653 543034625 /nfs/dbraw/zinc/03/46/25/543034625.db2.gz WJEHYGRINNNTGG-UHFFFAOYSA-N 0 3 362.499 2.420 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 ZINC000106037825 543186028 /nfs/dbraw/zinc/18/60/28/543186028.db2.gz QFKNLAYPLYKVKO-UHFFFAOYSA-N 0 3 366.465 2.062 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000106275066 543221608 /nfs/dbraw/zinc/22/16/08/543221608.db2.gz OIRZXPIGKPKMPB-UHFFFAOYSA-N 0 3 374.485 2.224 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC1 ZINC000106349359 543224658 /nfs/dbraw/zinc/22/46/58/543224658.db2.gz KZDULKRSWHLOFG-UHFFFAOYSA-N 0 3 372.469 2.049 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C)cc2OCC)CC1 ZINC000106349131 543224764 /nfs/dbraw/zinc/22/47/64/543224764.db2.gz ZELSKRVVBMNPSW-UHFFFAOYSA-N 0 3 359.470 2.489 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CNC(=O)c2c(F)cccc2Cl)CC1 ZINC000107353315 543267358 /nfs/dbraw/zinc/26/73/58/543267358.db2.gz IAYIAIWJQKEWKX-UHFFFAOYSA-N 0 3 367.852 2.366 20 30 FEEDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000108606646 543297433 /nfs/dbraw/zinc/29/74/33/543297433.db2.gz WXOCZEFPKMWZEQ-OAHLLOKOSA-N 0 3 374.510 2.479 20 30 FEEDHN COc1ccc(C[C@H](NCC(=O)NCC#N)c2ccc(OC)cc2)cc1 ZINC000108851938 543305599 /nfs/dbraw/zinc/30/55/99/543305599.db2.gz OJJMGSHEYZTOIR-IBGZPJMESA-N 0 3 353.422 2.217 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000109404200 543323884 /nfs/dbraw/zinc/32/38/84/543323884.db2.gz XUHFTZSNJBVFDZ-INIZCTEOSA-N 0 3 358.486 2.033 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000109404200 543323886 /nfs/dbraw/zinc/32/38/86/543323886.db2.gz XUHFTZSNJBVFDZ-INIZCTEOSA-N 0 3 358.486 2.033 20 30 FEEDHN CC[C@@H](C)[C@H](C)N(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000111226790 543386903 /nfs/dbraw/zinc/38/69/03/543386903.db2.gz LTUYIGSCOJAIOB-CABCVRRESA-N 0 3 373.501 2.402 20 30 FEEDHN C=CC1CCN(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CC1 ZINC000111258488 543390150 /nfs/dbraw/zinc/39/01/50/543390150.db2.gz YZCMJKIVBZZGLR-KRWDZBQOSA-N 0 3 361.530 2.382 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000111911409 543424995 /nfs/dbraw/zinc/42/49/95/543424995.db2.gz KEZVYLJXSSFYEL-HNNXBMFYSA-N 0 3 350.422 2.133 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000111883409 543423116 /nfs/dbraw/zinc/42/31/16/543423116.db2.gz CCWFBKQNODEHMC-SFHVURJKSA-N 0 3 370.501 2.049 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000112636573 543455127 /nfs/dbraw/zinc/45/51/27/543455127.db2.gz OEUWDKCKGKRIJO-ICSRJNTNSA-N 0 3 355.482 2.363 20 30 FEEDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000118117262 543647131 /nfs/dbraw/zinc/64/71/31/543647131.db2.gz PIRIEHBISWNPDH-CQSZACIVSA-N 0 3 362.499 2.477 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)N1CCCC1 ZINC000122840196 543726475 /nfs/dbraw/zinc/72/64/75/543726475.db2.gz CNOPZTODMXMBFB-MRXNPFEDSA-N 0 3 362.861 2.387 20 30 FEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000123810850 543784217 /nfs/dbraw/zinc/78/42/17/543784217.db2.gz GKKIFKIAGQWFQX-IAGOWNOFSA-N 0 3 357.502 2.406 20 30 FEEDHN CN1CCN(Cc2ccc(CNCc3cnc4ccc(C#N)cn34)cc2)CC1 ZINC000123384646 543758902 /nfs/dbraw/zinc/75/89/02/543758902.db2.gz AMSQTLGNNKXSLE-UHFFFAOYSA-N 0 3 374.492 2.243 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CCN(C)[C@@H](C)C3)cc2C1=O ZINC000123385949 543759103 /nfs/dbraw/zinc/75/91/03/543759103.db2.gz FNTHRCQUAPTXAL-ZFWWWQNUSA-N 0 3 355.438 2.023 20 30 FEEDHN COc1ccc(CN2CCN(CC(C)(C)O)CC2)cc1OCCCC#N ZINC000130006839 544135352 /nfs/dbraw/zinc/13/53/52/544135352.db2.gz MAGSIQPLFOPTGW-UHFFFAOYSA-N 0 3 361.486 2.266 20 30 FEEDHN CN(C)CCN(CCN(C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000131833271 544208773 /nfs/dbraw/zinc/20/87/73/544208773.db2.gz KKAWOTSCIHOWBI-UHFFFAOYSA-N 0 3 369.416 2.117 20 30 FEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000136039431 544365364 /nfs/dbraw/zinc/36/53/64/544365364.db2.gz QKHXGOOUGDUBFG-CYBMUJFWSA-N 0 3 360.433 2.263 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cc(C)ccn3)CC2)CC1 ZINC000139060933 544399475 /nfs/dbraw/zinc/39/94/75/544399475.db2.gz YMKVWMNXGHXWNQ-UHFFFAOYSA-N 0 3 357.502 2.262 20 30 FEEDHN C=CC[C@@H](C)[C@H](C)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152141721 544617873 /nfs/dbraw/zinc/61/78/73/544617873.db2.gz LANTURYNWFUUKQ-KGLIPLIRSA-N 0 3 358.529 2.459 20 30 FEEDHN N#Cc1ccc2ncc(CN[C@@H]3CCN(C(=O)C4CCCCC4)C3)n2c1 ZINC000152538134 544665806 /nfs/dbraw/zinc/66/58/06/544665806.db2.gz CNFMVCRISDJTMP-QGZVFWFLSA-N 0 3 351.454 2.477 20 30 FEEDHN CCO[C@@H]1C[C@H](O)C12CCN(CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000152706170 544685667 /nfs/dbraw/zinc/68/56/67/544685667.db2.gz PSAWJNZDMXQRFU-ZWKOTPCHSA-N 0 3 357.454 2.139 20 30 FEEDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000152810466 544698457 /nfs/dbraw/zinc/69/84/57/544698457.db2.gz PPYGKBRSDASNJK-OAQYLSRUSA-N 0 3 367.449 2.180 20 30 FEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000153434462 544774252 /nfs/dbraw/zinc/77/42/52/544774252.db2.gz URNMHQSYLNUQKE-UHFFFAOYSA-N 0 3 366.417 2.063 20 30 FEEDHN CC(C)(O)CN1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181073340 327715073 /nfs/dbraw/zinc/71/50/73/327715073.db2.gz GJSMALHXMBNFTD-UHFFFAOYSA-N 0 3 352.276 2.209 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000185782685 327932648 /nfs/dbraw/zinc/93/26/48/327932648.db2.gz LELHLKCBJPJOJP-MRXNPFEDSA-N 0 3 363.483 2.063 20 30 FEEDHN Cn1cc(CN2CCC(Cn3cncn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000186219491 327952503 /nfs/dbraw/zinc/95/25/03/327952503.db2.gz SQKSXXUQZYEGIS-UHFFFAOYSA-N 0 3 361.453 2.462 20 30 FEEDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(C#N)cc2F)o1 ZINC000189373238 328143867 /nfs/dbraw/zinc/14/38/67/328143867.db2.gz QAJYLMGNTAMGDY-UHFFFAOYSA-N 0 3 372.400 2.128 20 30 FEEDHN COc1ccc([C@H](CNCc2cc(C#N)n(C)c2)N2CCOCC2)cc1 ZINC000190681315 328224535 /nfs/dbraw/zinc/22/45/35/328224535.db2.gz GYFIKTRHJPBTPG-FQEVSTJZSA-N 0 3 354.454 2.068 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192939931 328348166 /nfs/dbraw/zinc/34/81/66/328348166.db2.gz YRIBOEXGUACGCX-MRXNPFEDSA-N 0 3 373.501 2.434 20 30 FEEDHN N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192980779 328350355 /nfs/dbraw/zinc/35/03/55/328350355.db2.gz IVJUZYSHMZPGRS-FQEVSTJZSA-N 0 3 369.490 2.500 20 30 FEEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193322632 328368783 /nfs/dbraw/zinc/36/87/83/328368783.db2.gz CFODLXHNOKEBNJ-UHFFFAOYSA-N 0 3 361.490 2.099 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)N(C)C ZINC000088768140 325300320 /nfs/dbraw/zinc/30/03/20/325300320.db2.gz SNBCHGLHCNGMKZ-CYBMUJFWSA-N 0 3 350.850 2.243 20 30 FEEDHN CC(C)C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000120296244 326247271 /nfs/dbraw/zinc/24/72/71/326247271.db2.gz BHZLXJIRZCFOPZ-OAHLLOKOSA-N 0 3 353.463 2.344 20 30 FEEDHN CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000120296244 326247272 /nfs/dbraw/zinc/24/72/72/326247272.db2.gz BHZLXJIRZCFOPZ-OAHLLOKOSA-N 0 3 353.463 2.344 20 30 FEEDHN Cn1cc(C#N)cc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000120749168 326284604 /nfs/dbraw/zinc/28/46/04/326284604.db2.gz XHNPJNQVOIBFRU-UHFFFAOYSA-N 0 3 352.438 2.353 20 30 FEEDHN Cc1ncsc1C(=O)NC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000127336414 326504637 /nfs/dbraw/zinc/50/46/37/326504637.db2.gz QMGHSNJSVDDQED-QGZVFWFLSA-N 0 3 370.478 2.251 20 30 FEEDHN Cc1cc(CN(C)C)cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1 ZINC000130243476 326553550 /nfs/dbraw/zinc/55/35/50/326553550.db2.gz KWQUWVWEOWDZJX-UHFFFAOYSA-N 0 3 350.422 2.297 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2c(F)c(F)cc(F)c2F)c1C#N ZINC000133583652 326611301 /nfs/dbraw/zinc/61/13/01/326611301.db2.gz NNQURCISQOAKOB-UHFFFAOYSA-N 0 3 355.295 2.242 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)NCCN2CCCCCC2)cc1C#N ZINC000160183027 326956229 /nfs/dbraw/zinc/95/62/29/326956229.db2.gz RNCPJUPVNBALEU-UHFFFAOYSA-N 0 3 372.469 2.276 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(C=O)cc1 ZINC000171401994 327137345 /nfs/dbraw/zinc/13/73/45/327137345.db2.gz CNIYWBRMOGEAKY-UHFFFAOYSA-N 0 3 365.433 2.340 20 30 FEEDHN Cc1cccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)N(C)C)c1C#N ZINC000174631929 327340145 /nfs/dbraw/zinc/34/01/45/327340145.db2.gz BJSOSPDNWOYCMG-SFHVURJKSA-N 0 3 356.470 2.432 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(c2cccc(C#N)n2)CC1 ZINC000265565713 329139191 /nfs/dbraw/zinc/13/91/91/329139191.db2.gz KJBVHYYHGHZAQO-UHFFFAOYSA-N 0 3 351.454 2.220 20 30 FEEDHN N#Cc1cc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)ccc1F ZINC000265844609 329165769 /nfs/dbraw/zinc/16/57/69/329165769.db2.gz VCFCJPJTQMLFOG-UHFFFAOYSA-N 0 3 358.417 2.113 20 30 FEEDHN N#Cc1ccnc(NCc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000268481103 329424850 /nfs/dbraw/zinc/42/48/50/329424850.db2.gz LHZBBIJFEWCAAG-UHFFFAOYSA-N 0 3 367.409 2.430 20 30 FEEDHN C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271800961 329726378 /nfs/dbraw/zinc/72/63/78/329726378.db2.gz JYWCXMFZOAMQSY-IFXJQAMLSA-N 0 3 373.478 2.193 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2sccc2C#N)C[C@H]1N1CCCC1 ZINC000274046077 329911007 /nfs/dbraw/zinc/91/10/07/329911007.db2.gz NQMHUBFUEHUQGG-ZIAGYGMSSA-N 0 3 350.513 2.070 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000275857726 330096859 /nfs/dbraw/zinc/09/68/59/330096859.db2.gz LUCUGSASBFLRDZ-AWEZNQCLSA-N 0 3 372.469 2.084 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000275948802 330105887 /nfs/dbraw/zinc/10/58/87/330105887.db2.gz YODCJAXZNXABJD-LBPRGKRZSA-N 0 3 362.861 2.339 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000294190286 330191313 /nfs/dbraw/zinc/19/13/13/330191313.db2.gz PLYRIODDGSWDSL-FQEVSTJZSA-N 0 3 356.470 2.153 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000294190286 330191314 /nfs/dbraw/zinc/19/13/14/330191314.db2.gz PLYRIODDGSWDSL-FQEVSTJZSA-N 0 3 356.470 2.153 20 30 FEEDHN C[C@@H]1[C@H](NCc2cnc3ccc(C#N)cn23)CC(=O)N1Cc1ccccc1 ZINC000367046814 330210992 /nfs/dbraw/zinc/21/09/92/330210992.db2.gz BXYKYAYJZMAPTE-DNVCBOLYSA-N 0 3 359.433 2.485 20 30 FEEDHN N#CC(C(=O)COCc1cccnc1)C(=O)NCc1cccc(Cl)c1 ZINC000805926679 674360653 /nfs/dbraw/zinc/36/06/53/674360653.db2.gz WVGQSCPEFFVXJY-INIZCTEOSA-N 0 3 357.797 2.277 20 30 FEEDHN C[NH+](C)Cc1ccccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156230038 545610145 /nfs/dbraw/zinc/61/01/45/545610145.db2.gz CFWLMHAHXHWOBH-UHFFFAOYSA-N 0 3 374.422 2.007 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)C(C)C ZINC000156582189 545637490 /nfs/dbraw/zinc/63/74/90/545637490.db2.gz RGAIHZLITCVIPM-YESZJQIVSA-N 0 3 350.507 2.028 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)NCCN2CCC(C)CC2)cc1C#N ZINC000160176317 546014901 /nfs/dbraw/zinc/01/49/01/546014901.db2.gz DKJAOMWSCZMSJQ-UHFFFAOYSA-N 0 3 372.469 2.132 20 30 FEEDHN C=CCN1CCC(NC(=O)CCc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000171714898 546220776 /nfs/dbraw/zinc/22/07/76/546220776.db2.gz VLHWJBWKRSLITD-UHFFFAOYSA-N 0 3 374.510 2.301 20 30 FEEDHN C=CCN1CCC(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000171724988 546222081 /nfs/dbraw/zinc/22/20/81/546222081.db2.gz HZPMIOGABGBWDG-UHFFFAOYSA-N 0 3 362.470 2.412 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000173134990 546274939 /nfs/dbraw/zinc/27/49/39/546274939.db2.gz WUHANTCHKSXYJJ-UHFFFAOYSA-N 0 3 360.458 2.103 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(N3CCNC3=O)c2C)CC1 ZINC000173579968 546283337 /nfs/dbraw/zinc/28/33/37/546283337.db2.gz ZBXURPWWPOEXRP-UHFFFAOYSA-N 0 3 356.470 2.295 20 30 FEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000173737074 546285347 /nfs/dbraw/zinc/28/53/47/546285347.db2.gz NDDBCTJFSKVDER-FCEWJHQRSA-N 0 3 358.461 2.407 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000176285382 546427779 /nfs/dbraw/zinc/42/77/79/546427779.db2.gz KCLBQRDGEGWZSZ-LJQANCHMSA-N 0 3 351.491 2.400 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000176285365 546427963 /nfs/dbraw/zinc/42/79/63/546427963.db2.gz KCLBQRDGEGWZSZ-IBGZPJMESA-N 0 3 351.491 2.400 20 30 FEEDHN C=CCN(CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(OC)cc1 ZINC000177017665 546523964 /nfs/dbraw/zinc/52/39/64/546523964.db2.gz HYNRYFUEQMIOIK-UHFFFAOYSA-N 0 3 373.375 2.461 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177064459 546535939 /nfs/dbraw/zinc/53/59/39/546535939.db2.gz BBIYEVSACCACPG-GOEBONIOSA-N 0 3 357.454 2.467 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CN1C1CC1 ZINC000177146142 546554248 /nfs/dbraw/zinc/55/42/48/546554248.db2.gz UAXZLZKGOCONPB-DLBZAZTESA-N 0 3 368.481 2.455 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000177610977 546653937 /nfs/dbraw/zinc/65/39/37/546653937.db2.gz GHCNYCLKQHDDCH-WIYYLYMNSA-N 0 3 374.481 2.348 20 30 FEEDHN C=CCNC(=O)CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000180449432 547110448 /nfs/dbraw/zinc/11/04/48/547110448.db2.gz GPMMJYNPCRQXFE-SFHVURJKSA-N 0 3 358.486 2.061 20 30 FEEDHN N#Cc1cccc(NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000180723763 547166489 /nfs/dbraw/zinc/16/64/89/547166489.db2.gz NLPDTIUVVRVCSU-IBGZPJMESA-N 0 3 350.422 2.447 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000482872273 561262022 /nfs/dbraw/zinc/26/20/22/561262022.db2.gz VKBDCEDYQMJGSE-QAPCUYQASA-N 0 3 371.485 2.057 20 30 FEEDHN Cc1nc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)ccc1C#N ZINC000180872624 547199518 /nfs/dbraw/zinc/19/95/18/547199518.db2.gz YQZKHBPSGZECPZ-LJQANCHMSA-N 0 3 364.449 2.148 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000181751961 547374335 /nfs/dbraw/zinc/37/43/35/547374335.db2.gz NEABUQJVIHWYFQ-HZPDHXFCSA-N 0 3 372.469 2.153 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000181781944 547380552 /nfs/dbraw/zinc/38/05/52/547380552.db2.gz WFNQASFIWVWIKU-OAHLLOKOSA-N 0 3 370.453 2.073 20 30 FEEDHN CC(C)N(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1 ZINC000183167656 547614936 /nfs/dbraw/zinc/61/49/36/547614936.db2.gz XBWLTQQNCACAEA-IBGZPJMESA-N 0 3 358.461 2.407 20 30 FEEDHN COC(=O)CN1CCC(NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000183337090 547640475 /nfs/dbraw/zinc/64/04/75/547640475.db2.gz SOQPGMWVWHJDHI-UHFFFAOYSA-N 0 3 354.372 2.284 20 30 FEEDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000484653595 561302481 /nfs/dbraw/zinc/30/24/81/561302481.db2.gz QHFDNLMINSRNKQ-IUIKQTSFSA-N 0 3 351.834 2.322 20 30 FEEDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1C ZINC000184641977 547859710 /nfs/dbraw/zinc/85/97/10/547859710.db2.gz PNFGYQVMZUAEEG-CZUORRHYSA-N 0 3 353.430 2.085 20 30 FEEDHN C=C(C)[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)c(F)c1 ZINC000184853497 547887175 /nfs/dbraw/zinc/88/71/75/547887175.db2.gz IMRTYYUJGQKBFP-KSSFIOAISA-N 0 3 365.424 2.108 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCSC3(CCOCC3)C2)CC1 ZINC000185685922 548020298 /nfs/dbraw/zinc/02/02/98/548020298.db2.gz SDTQDPNQOMFCKM-UHFFFAOYSA-N 0 3 353.532 2.335 20 30 FEEDHN C=CCSCCNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000186631756 548162579 /nfs/dbraw/zinc/16/25/79/548162579.db2.gz CPNRAZNAZWVTRN-IBGZPJMESA-N 0 3 363.527 2.184 20 30 FEEDHN CN(C)C1(CN(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC1 ZINC000188210212 548274772 /nfs/dbraw/zinc/27/47/72/548274772.db2.gz HTXRQSSUILCQDM-UHFFFAOYSA-N 0 3 356.470 2.369 20 30 FEEDHN C=C(C)COCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190582247 548328621 /nfs/dbraw/zinc/32/86/21/548328621.db2.gz PFCKQPVHLRBOCO-LJQANCHMSA-N 0 3 361.486 2.169 20 30 FEEDHN CN(Cc1ccccc1S(N)(=O)=O)C(=O)C(C#N)CCc1ccccc1 ZINC000486373182 561345594 /nfs/dbraw/zinc/34/55/94/561345594.db2.gz KVINNGAYGGBZCN-MRXNPFEDSA-N 0 3 371.462 2.065 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(OC)c2)CC1 ZINC000193037817 548377444 /nfs/dbraw/zinc/37/74/44/548377444.db2.gz GUBKXDBKBJOMLH-UHFFFAOYSA-N 0 3 351.834 2.054 20 30 FEEDHN C[C@@H]1CCNC(=O)[C@@H]1NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193630416 548391515 /nfs/dbraw/zinc/39/15/15/548391515.db2.gz DRTNHWPZSMSBCX-SJKOYZFVSA-N 0 3 374.510 2.331 20 30 FEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(CCOC)CC1 ZINC000194622641 548506514 /nfs/dbraw/zinc/50/65/14/548506514.db2.gz MODSCRBVPCMQSL-UHFFFAOYSA-N 0 3 356.470 2.367 20 30 FEEDHN N#Cc1ccccc1/C=C/C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245570015 548949076 /nfs/dbraw/zinc/94/90/76/548949076.db2.gz AEFLCALIIUISLQ-HRZVIGLNSA-N 0 3 361.445 2.323 20 30 FEEDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000246200355 549076017 /nfs/dbraw/zinc/07/60/17/549076017.db2.gz ORXJOHKHOOGZCY-KBPBESRZSA-N 0 3 353.875 2.459 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000246271658 549093638 /nfs/dbraw/zinc/09/36/38/549093638.db2.gz ANQSZKKXQITITQ-RHSMWYFYSA-N 0 3 356.470 2.271 20 30 FEEDHN C=CCn1cccc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000488461873 561390232 /nfs/dbraw/zinc/39/02/32/561390232.db2.gz OPDUPMVUYITNNE-UHFFFAOYSA-N 0 3 352.482 2.352 20 30 FEEDHN C[C@H](Oc1ccccc1C#N)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000246554405 549160613 /nfs/dbraw/zinc/16/06/13/549160613.db2.gz UGYCCMUCAQFKNL-ZACQAIPSSA-N 0 3 359.470 2.331 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000248620343 549469422 /nfs/dbraw/zinc/46/94/22/549469422.db2.gz XVVRFHSNCOLVCE-UKRRQHHQSA-N 0 3 353.875 2.316 20 30 FEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000249169084 549564019 /nfs/dbraw/zinc/56/40/19/549564019.db2.gz KTRXHHYOBXTAGY-GDBMZVCRSA-N 0 3 374.510 2.429 20 30 FEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](C(=O)NCCC)C1 ZINC000250427401 549641609 /nfs/dbraw/zinc/64/16/09/549641609.db2.gz GQHQAGSQOYVVLX-RTBURBONSA-N 0 3 360.498 2.393 20 30 FEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000250642490 549643605 /nfs/dbraw/zinc/64/36/05/549643605.db2.gz VRBBBTPSUOOSLS-OLZOCXBDSA-N 0 3 362.861 2.387 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000252736474 549678084 /nfs/dbraw/zinc/67/80/84/549678084.db2.gz VQTZYKUKMUBYEY-RBUKOAKNSA-N 0 3 361.436 2.171 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccnc2-n2ccnc2C)CC1 ZINC000264420007 549995735 /nfs/dbraw/zinc/99/57/35/549995735.db2.gz QZWRLZJIDITRKB-UHFFFAOYSA-N 0 3 354.458 2.025 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCCCN1CCOCC1)C(C)C ZINC000264918126 550003392 /nfs/dbraw/zinc/00/33/92/550003392.db2.gz PCITYZCRTKXJDV-IBGZPJMESA-N 0 3 351.535 2.304 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCOc2cc(OC)cc(OC)c2)CC1 ZINC000268734387 550109760 /nfs/dbraw/zinc/10/97/60/550109760.db2.gz ODRQXTGNNWCFOZ-UHFFFAOYSA-N 0 3 363.458 2.032 20 30 FEEDHN C=CCN1CC[C@H](NCC2(c3cc(C)ccc3OC)CCOCC2)C1=O ZINC000493766748 561458097 /nfs/dbraw/zinc/45/80/97/561458097.db2.gz QOIHYMUAUYWBQF-SFHVURJKSA-N 0 3 358.482 2.428 20 30 FEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000270852723 550314153 /nfs/dbraw/zinc/31/41/53/550314153.db2.gz MCJOXIJFUFOJTF-TZIWHRDSSA-N 0 3 363.461 2.480 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)NCCCCN1CCN(CC)CC1 ZINC000272432794 550447285 /nfs/dbraw/zinc/44/72/85/550447285.db2.gz JMACJDKXXWAYKV-UHFFFAOYSA-N 0 3 362.518 2.437 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cc3c(cc2OC)CCC(=O)N3)CC1 ZINC000274462920 550538901 /nfs/dbraw/zinc/53/89/01/550538901.db2.gz MRNYHFCDWFZRNZ-UHFFFAOYSA-N 0 3 358.442 2.352 20 30 FEEDHN C=CCNc1ncc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)s1 ZINC000275112261 550570552 /nfs/dbraw/zinc/57/05/52/550570552.db2.gz LQXGQLSQIXBFOF-TZMCWYRMSA-N 0 3 352.529 2.393 20 30 FEEDHN C#CCN(C(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 ZINC000276060446 550576432 /nfs/dbraw/zinc/57/64/32/550576432.db2.gz CAZDEMAUTKITCF-UHFFFAOYSA-N 0 3 369.465 2.114 20 30 FEEDHN C#CCOc1cccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 ZINC000278889759 550832674 /nfs/dbraw/zinc/83/26/74/550832674.db2.gz QEQKEJDDISHISD-MRXNPFEDSA-N 0 3 357.454 2.416 20 30 FEEDHN C=CCN1CCC(NC(=O)c2nnn(Cc3ccc(F)cc3)c2CC)CC1 ZINC000279102752 550854156 /nfs/dbraw/zinc/85/41/56/550854156.db2.gz VDJAVOLVVRTUDL-UHFFFAOYSA-N 0 3 371.460 2.408 20 30 FEEDHN CCO[C@@H]1C[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1OC ZINC000279331737 550878469 /nfs/dbraw/zinc/87/84/69/550878469.db2.gz CZOOGSREGTUZPU-SCTDSRPQSA-N 0 3 355.442 2.141 20 30 FEEDHN COC(=O)[C@]1(C)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279356275 550881136 /nfs/dbraw/zinc/88/11/36/550881136.db2.gz GSSTTYVJKOOAOD-LJQANCHMSA-N 0 3 353.426 2.244 20 30 FEEDHN N#CCCn1cc(CN2CCC(CCC(N)=O)CC2)c(-c2ccncc2)n1 ZINC000279487144 550895822 /nfs/dbraw/zinc/89/58/22/550895822.db2.gz XQIBGXKYJXMILU-UHFFFAOYSA-N 0 3 366.469 2.336 20 30 FEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000280897307 551043747 /nfs/dbraw/zinc/04/37/47/551043747.db2.gz FUGVACIYOHUASO-RTBURBONSA-N 0 3 357.498 2.366 20 30 FEEDHN Cn1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C(F)(F)F)n1 ZINC000281489275 551104231 /nfs/dbraw/zinc/10/42/31/551104231.db2.gz HOJBYALVDBHWIY-CYBMUJFWSA-N 0 3 361.327 2.309 20 30 FEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281940761 551160554 /nfs/dbraw/zinc/16/05/54/551160554.db2.gz LFOKJODWMLEMBG-UHFFFAOYSA-N 0 3 374.529 2.419 20 30 FEEDHN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000283667531 551406059 /nfs/dbraw/zinc/40/60/59/551406059.db2.gz QVABHJQPXRFWSE-QGZVFWFLSA-N 0 3 370.501 2.018 20 30 FEEDHN CN1CCN(CCCNC(=O)c2cc(C#N)ccn2)[C@H](c2ccccc2)C1 ZINC000283733212 551418685 /nfs/dbraw/zinc/41/86/85/551418685.db2.gz MBBHZARBEXVDEG-FQEVSTJZSA-N 0 3 363.465 2.062 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)CC1 ZINC000283888021 551444423 /nfs/dbraw/zinc/44/44/23/551444423.db2.gz FTKCUBDUQAFUAM-KRWDZBQOSA-N 0 3 373.497 2.484 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)CC1 ZINC000283888032 551444603 /nfs/dbraw/zinc/44/46/03/551444603.db2.gz FTKCUBDUQAFUAM-QGZVFWFLSA-N 0 3 373.497 2.484 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccnc1)C(C)C ZINC000284062452 551476825 /nfs/dbraw/zinc/47/68/25/551476825.db2.gz NLKUCCUFEAULST-PKOBYXMFSA-N 0 3 372.513 2.416 20 30 FEEDHN C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1)c1ccc(C#N)cc1 ZINC000284143879 551491728 /nfs/dbraw/zinc/49/17/28/551491728.db2.gz WTAUTPAXLNZGCG-APWZRJJASA-N 0 3 368.481 2.212 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000284900332 551662431 /nfs/dbraw/zinc/66/24/31/551662431.db2.gz SZAIPFKBNIHKBZ-GBYFWLHCSA-N 0 3 357.454 2.137 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)COCc1nnc(C)s1)C(C)C ZINC000285487169 551764239 /nfs/dbraw/zinc/76/42/39/551764239.db2.gz ILJJHUKMCANHQH-HNNXBMFYSA-N 0 3 352.504 2.178 20 30 FEEDHN CCC[C@@]1(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOC1 ZINC000285695114 551796357 /nfs/dbraw/zinc/79/63/57/551796357.db2.gz VOMTVSHNDYQVON-LJQANCHMSA-N 0 3 353.426 2.231 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]2C1 ZINC000285734632 551802763 /nfs/dbraw/zinc/80/27/63/551802763.db2.gz GRMBDRRHMPWPJR-OXQOHEQNSA-N 0 3 370.472 2.466 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000285751168 551805023 /nfs/dbraw/zinc/80/50/23/551805023.db2.gz YVWUWVWYURYWKT-MRXNPFEDSA-N 0 3 374.504 2.365 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286026486 551839844 /nfs/dbraw/zinc/83/98/44/551839844.db2.gz AYQXMFKFPAUKTA-OAGGEKHMSA-N 0 3 365.355 2.260 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286026495 551839910 /nfs/dbraw/zinc/83/99/10/551839910.db2.gz AYQXMFKFPAUKTA-PMPSAXMXSA-N 0 3 365.355 2.260 20 30 FEEDHN N#Cc1ccnc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000286095926 551847947 /nfs/dbraw/zinc/84/79/47/551847947.db2.gz FBIMMLLGBDTNAJ-IBGZPJMESA-N 0 3 362.481 2.387 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286294253 551870923 /nfs/dbraw/zinc/87/09/23/551870923.db2.gz CEHZIFIRUSXSQQ-ZIAGYGMSSA-N 0 3 355.360 2.380 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000286626909 551908175 /nfs/dbraw/zinc/90/81/75/551908175.db2.gz MDONLGDSTBWEFT-IBGZPJMESA-N 0 3 373.472 2.468 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H]2Cc2ccccc2)CC1 ZINC000286692390 551915355 /nfs/dbraw/zinc/91/53/55/551915355.db2.gz PLFHBSKLJCDPGB-FQEVSTJZSA-N 0 3 369.509 2.377 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CCc3ccccc32)CC1 ZINC000286808985 551928152 /nfs/dbraw/zinc/92/81/52/551928152.db2.gz VMJBNSJOIKHPKF-LJQANCHMSA-N 0 3 355.482 2.289 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(CCO)CCCC2)cc1 ZINC000286995180 551949416 /nfs/dbraw/zinc/94/94/16/551949416.db2.gz CSXRPCXTXXRKPB-CYBMUJFWSA-N 0 3 365.455 2.189 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000287018007 551952237 /nfs/dbraw/zinc/95/22/37/551952237.db2.gz JNUSAHBCUUPTDI-INIZCTEOSA-N 0 3 361.511 2.277 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CCO)C(C)(C)C)cc1 ZINC000287104668 551963919 /nfs/dbraw/zinc/96/39/19/551963919.db2.gz JSEOGJQVRRFUNT-SWLSCSKDSA-N 0 3 367.471 2.291 20 30 FEEDHN COc1ccc(CN2CC[C@H](N[C@@H]3CCC[C@H](C#N)C3)C2=O)c(OC)c1 ZINC000287155833 551970353 /nfs/dbraw/zinc/97/03/53/551970353.db2.gz SWQGQGNOWAVXKF-LESCRADOSA-N 0 3 357.454 2.477 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCOCC2)cc1 ZINC000287333300 551990914 /nfs/dbraw/zinc/99/09/14/551990914.db2.gz OXJXDVISPJQYKS-OLZOCXBDSA-N 0 3 351.428 2.063 20 30 FEEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000287669968 552032422 /nfs/dbraw/zinc/03/24/22/552032422.db2.gz QCUIUBYWJNCQEN-AWEZNQCLSA-N 0 3 366.487 2.176 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000288079874 552087137 /nfs/dbraw/zinc/08/71/37/552087137.db2.gz HGNRYXIYPQZFTQ-HKUYNNGSSA-N 0 3 357.498 2.438 20 30 FEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288136625 552097680 /nfs/dbraw/zinc/09/76/80/552097680.db2.gz OJURSCIPAHCTOP-JSGCOSHPSA-N 0 3 360.845 2.235 20 30 FEEDHN C=CCCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000288561929 552175502 /nfs/dbraw/zinc/17/55/02/552175502.db2.gz JXUCNJSNOVHHGS-SFHVURJKSA-N 0 3 357.498 2.486 20 30 FEEDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000288658728 552193323 /nfs/dbraw/zinc/19/33/23/552193323.db2.gz AMUGKXNLGXOFJM-LBPRGKRZSA-N 0 3 350.850 2.387 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc2c1ncn2C ZINC000288660621 552193699 /nfs/dbraw/zinc/19/36/99/552193699.db2.gz OYKKWGVFGPIYQF-UHFFFAOYSA-N 0 3 362.437 2.044 20 30 FEEDHN C[C@H]1CC[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000499916502 561561607 /nfs/dbraw/zinc/56/16/07/561561607.db2.gz RVSAGCLOZBCJGN-QFBILLFUSA-N 0 3 370.497 2.001 20 30 FEEDHN C=CCCCNC(=O)C(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000289813152 552382744 /nfs/dbraw/zinc/38/27/44/552382744.db2.gz RIKVKOWWGXSAPQ-IBGZPJMESA-N 0 3 357.498 2.439 20 30 FEEDHN C=CCn1c(-c2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000290091824 552426077 /nfs/dbraw/zinc/42/60/77/552426077.db2.gz DNLIERNCCCCJSX-INIZCTEOSA-N 0 3 368.485 2.216 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)C(N)=O ZINC000292046155 552688066 /nfs/dbraw/zinc/68/80/66/552688066.db2.gz AVMCENFWQDFFMT-AUUYWEPGSA-N 0 3 350.422 2.134 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000293289304 552807972 /nfs/dbraw/zinc/80/79/72/552807972.db2.gz GTMBJROQXLSPQT-UHFFFAOYSA-N 0 3 370.453 2.135 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000293305073 552809739 /nfs/dbraw/zinc/80/97/39/552809739.db2.gz HTYKTHSJNLZGMO-UHFFFAOYSA-N 0 3 355.360 2.024 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CNC1(Cc2ccc(F)cc2)CCOCC1 ZINC000293318636 552810913 /nfs/dbraw/zinc/81/09/13/552810913.db2.gz QUIFQLGZICUEPX-UHFFFAOYSA-N 0 3 372.444 2.163 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000293404477 552820025 /nfs/dbraw/zinc/82/00/25/552820025.db2.gz ORFDRDDBSNIFPL-UHFFFAOYSA-N 0 3 357.454 2.018 20 30 FEEDHN CN1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000293453044 552825445 /nfs/dbraw/zinc/82/54/45/552825445.db2.gz SVXYOZDJJKELHX-NRFANRHFSA-N 0 3 368.481 2.371 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCCN3C3CCCC3)C2)nc1 ZINC000293734897 552851426 /nfs/dbraw/zinc/85/14/26/552851426.db2.gz NPWGZCONMBZPKE-MSOLQXFVSA-N 0 3 354.454 2.340 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)nc1 ZINC000293821995 552859499 /nfs/dbraw/zinc/85/94/99/552859499.db2.gz WMDBHIKWQVPBQW-UHFFFAOYSA-N 0 3 369.469 2.054 20 30 FEEDHN CC(C)(C#N)CNC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000501855416 561606661 /nfs/dbraw/zinc/60/66/61/561606661.db2.gz NYRDFNPLCIPOIX-IBGZPJMESA-N 0 3 369.513 2.138 20 30 FEEDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295070685 552956019 /nfs/dbraw/zinc/95/60/19/552956019.db2.gz CMFIGULQYZHXBC-ZDUSSCGKSA-N 0 3 353.463 2.189 20 30 FEEDHN N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000295256158 552976956 /nfs/dbraw/zinc/97/69/56/552976956.db2.gz QYWBPMCISYWPET-OAHLLOKOSA-N 0 3 365.474 2.335 20 30 FEEDHN C[C@@H]1CN(CC2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000295417341 553003344 /nfs/dbraw/zinc/00/33/44/553003344.db2.gz DRXHVEIPQQJAGJ-ZIAGYGMSSA-N 0 3 359.430 2.187 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3cnccc3c2)CC1 ZINC000296210273 553123101 /nfs/dbraw/zinc/12/31/01/553123101.db2.gz DLVZTNFKGCOVRL-UHFFFAOYSA-N 0 3 352.438 2.330 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000296264044 553131499 /nfs/dbraw/zinc/13/14/99/553131499.db2.gz CCTCFOVIAMUMEE-AWEZNQCLSA-N 0 3 373.432 2.499 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000296489922 553168629 /nfs/dbraw/zinc/16/86/29/553168629.db2.gz NOSSQTHNBCHZAQ-MRXNPFEDSA-N 0 3 360.458 2.314 20 30 FEEDHN N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000296762423 553208416 /nfs/dbraw/zinc/20/84/16/553208416.db2.gz UZRCBEHFOVYGIB-SNRMKQJTSA-N 0 3 356.470 2.135 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ncc(Br)cc1C#N ZINC000296805393 553214284 /nfs/dbraw/zinc/21/42/84/553214284.db2.gz PPKISPKHMNWXRT-GFCCVEGCSA-N 0 3 365.275 2.405 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000297019714 553242808 /nfs/dbraw/zinc/24/28/08/553242808.db2.gz VDXNOPAWJYEFDP-OAHLLOKOSA-N 0 3 356.470 2.350 20 30 FEEDHN Cc1nsc(NC(=O)NC2CCN(CCOC(C)C)CC2)c1C#N ZINC000297402569 553287829 /nfs/dbraw/zinc/28/78/29/553287829.db2.gz KNLFKPWGLNDJMO-UHFFFAOYSA-N 0 3 351.476 2.334 20 30 FEEDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000503419853 561640957 /nfs/dbraw/zinc/64/09/57/561640957.db2.gz HTFWEHNPIQLDTF-AUUYWEPGSA-N 0 3 351.454 2.465 20 30 FEEDHN COCCN(CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000298296255 553409496 /nfs/dbraw/zinc/40/94/96/553409496.db2.gz XXQDUVPPOAVWAU-CYBMUJFWSA-N 0 3 365.499 2.014 20 30 FEEDHN C[C@@H](C[S@@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000299064635 553510496 /nfs/dbraw/zinc/51/04/96/553510496.db2.gz SQEMJKQRWVUDMP-BSNNYGBQSA-N 0 3 353.513 2.136 20 30 FEEDHN CS[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1N1CCCC1 ZINC000299377031 553555297 /nfs/dbraw/zinc/55/52/97/553555297.db2.gz QOXYEFHRRAJOTR-IPMKNSEASA-N 0 3 370.522 2.175 20 30 FEEDHN CCCCCC(=O)NC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000299577518 553583870 /nfs/dbraw/zinc/58/38/70/553583870.db2.gz QNTITJVZKJUNQD-LJQANCHMSA-N 0 3 373.497 2.459 20 30 FEEDHN CN(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1cccc(F)c1 ZINC000301326706 553642569 /nfs/dbraw/zinc/64/25/69/553642569.db2.gz BHARMPWUJHQYSE-KRWDZBQOSA-N 0 3 362.430 2.060 20 30 FEEDHN C=CCN1CCC(Nc2ncccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000301393313 553648136 /nfs/dbraw/zinc/64/81/36/553648136.db2.gz JBDYGXOQXPEKRE-UHFFFAOYSA-N 0 3 364.515 2.319 20 30 FEEDHN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000301576475 553662809 /nfs/dbraw/zinc/66/28/09/553662809.db2.gz YUMQZQGZMKFDHU-KGLIPLIRSA-N 0 3 354.376 2.398 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000301906510 553691005 /nfs/dbraw/zinc/69/10/05/553691005.db2.gz AETQUFDZXKHSEI-INIZCTEOSA-N 0 3 366.387 2.496 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000328758356 553817634 /nfs/dbraw/zinc/81/76/34/553817634.db2.gz VVTFQPVZWCDBCY-QGZVFWFLSA-N 0 3 350.507 2.109 20 30 FEEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328844442 553831401 /nfs/dbraw/zinc/83/14/01/553831401.db2.gz VDSQNIDRACGQLN-SLBVQIDZSA-N 0 3 362.426 2.254 20 30 FEEDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1cn(-c2ccccc2)nn1 ZINC000329290051 553918713 /nfs/dbraw/zinc/91/87/13/553918713.db2.gz QHHDPWPUNIASGS-RLFYNMQTSA-N 0 3 354.458 2.268 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C(=O)N1c1ccccc1 ZINC000329302037 553921197 /nfs/dbraw/zinc/92/11/97/553921197.db2.gz WNQWJTIMDXEQEH-MXSMSXNCSA-N 0 3 356.470 2.120 20 30 FEEDHN COCCN1CC[C@H](NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)C1 ZINC000329316248 553923922 /nfs/dbraw/zinc/92/39/22/553923922.db2.gz QNXNJMKKACNFHZ-PKOBYXMFSA-N 0 3 359.470 2.200 20 30 FEEDHN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC(c3c[nH]cn3)CC1)CC2 ZINC000329343839 553928836 /nfs/dbraw/zinc/92/88/36/553928836.db2.gz QGZPXFSENUBJFQ-CQSZACIVSA-N 0 3 357.462 2.233 20 30 FEEDHN CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CCC(c3cnc[nH]3)CC1)CC2 ZINC000329343839 553928839 /nfs/dbraw/zinc/92/88/39/553928839.db2.gz QGZPXFSENUBJFQ-CQSZACIVSA-N 0 3 357.462 2.233 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000506558910 561702053 /nfs/dbraw/zinc/70/20/53/561702053.db2.gz BCKGLFKQZZRGIZ-ROUUACIJSA-N 0 3 359.466 2.430 20 30 FEEDHN CN(C(=O)NC[C@@]1(C)CCOC1)C1CCN(CCc2ccccn2)CC1 ZINC000329533640 553963409 /nfs/dbraw/zinc/96/34/09/553963409.db2.gz KLERJQIHTVRWOU-HXUWFJFHSA-N 0 3 360.502 2.361 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@@]12CCCO2 ZINC000329546954 553965881 /nfs/dbraw/zinc/96/58/81/553965881.db2.gz DOUOVVHUYWCCKN-SCTDSRPQSA-N 0 3 351.491 2.187 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)NCCc3nccn3Cc3ccccc3)[C@H]2C1 ZINC000329588623 553972550 /nfs/dbraw/zinc/97/25/50/553972550.db2.gz YZKKXRYVRYCCAN-MOPGFXCFSA-N 0 3 367.497 2.414 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000329591433 553973305 /nfs/dbraw/zinc/97/33/05/553973305.db2.gz ZYFWTHRRMHRUSZ-BRWVUGGUSA-N 0 3 351.491 2.045 20 30 FEEDHN O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCN(C2CCCCC2)CC1 ZINC000329672900 553985785 /nfs/dbraw/zinc/98/57/85/553985785.db2.gz SQNHNMOWWJNIMO-UHFFFAOYSA-N 0 3 373.453 2.197 20 30 FEEDHN CN1CCC[C@H](CNC(=O)NCC(=O)N2CCCC2)[C@@H]1c1cccs1 ZINC000329686808 553988759 /nfs/dbraw/zinc/98/87/59/553988759.db2.gz BFNBJFXSTDERHS-RHSMWYFYSA-N 0 3 364.515 2.257 20 30 FEEDHN CC(C)c1nc([C@H]2COCCN2C(=O)N[C@@H](C)C2=CCN(C)CC2)no1 ZINC000329711946 553993597 /nfs/dbraw/zinc/99/35/97/553993597.db2.gz PGZQMMZAWFVDMQ-DZGCQCFKSA-N 0 3 363.462 2.131 20 30 FEEDHN CN1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)[C@H]1c1ccccc1 ZINC000329761662 554001284 /nfs/dbraw/zinc/00/12/84/554001284.db2.gz RSFXGCKGPGOHSH-UHZRXMQZSA-N 0 3 373.497 2.208 20 30 FEEDHN C[C@H](NC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000329770284 554002829 /nfs/dbraw/zinc/00/28/29/554002829.db2.gz IQKYWPUFPHWGQV-XUWVNRHRSA-N 0 3 371.547 2.061 20 30 FEEDHN C[C@@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CCOC1 ZINC000329777268 554004161 /nfs/dbraw/zinc/00/41/61/554004161.db2.gz OWVPIVAJGOBDMR-KYHPRHEASA-N 0 3 353.507 2.147 20 30 FEEDHN CC(C)c1nnc([C@H]2CN(C(=O)N[C@@H](C)C3=CCN(C)CC3)CCO2)o1 ZINC000329987887 554044545 /nfs/dbraw/zinc/04/45/45/554044545.db2.gz TUAUGDNIELJPHC-DZGCQCFKSA-N 0 3 363.462 2.131 20 30 FEEDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@]2(CCCOC2)O1 ZINC000330163237 554076831 /nfs/dbraw/zinc/07/68/31/554076831.db2.gz UZZUTOGPDZUORM-POAQFYNOSA-N 0 3 361.486 2.473 20 30 FEEDHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330164366 554076917 /nfs/dbraw/zinc/07/69/17/554076917.db2.gz VXCVEZRWRILULE-FMKPAKJESA-N 0 3 361.504 2.376 20 30 FEEDHN CC(C)N1CCC[C@H](CNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000330171890 554077907 /nfs/dbraw/zinc/07/79/07/554077907.db2.gz XQLMPHIRYMEULG-HUUCEWRRSA-N 0 3 360.520 2.046 20 30 FEEDHN CC[C@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1nnc2n1CCCCC2 ZINC000330200832 554083718 /nfs/dbraw/zinc/08/37/18/554083718.db2.gz XAALGJNNICPKPJ-HNAYVOBHSA-N 0 3 360.506 2.397 20 30 FEEDHN CO[C@]1(C)C[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1(C)C ZINC000330205593 554085030 /nfs/dbraw/zinc/08/50/30/554085030.db2.gz CPBNUDCTXQAOOE-URLQWDBASA-N 0 3 353.507 2.289 20 30 FEEDHN CNC(=O)C1CCC(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)CC1 ZINC000330212457 554086157 /nfs/dbraw/zinc/08/61/57/554086157.db2.gz KFBKQBNYHFZGJZ-UHFFFAOYSA-N 0 3 362.478 2.621 20 30 FEEDHN C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1nccs1 ZINC000330228962 554089275 /nfs/dbraw/zinc/08/92/75/554089275.db2.gz PXJDLAAOLUDYGL-KGLIPLIRSA-N 0 3 352.504 2.346 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000330272566 554096915 /nfs/dbraw/zinc/09/69/15/554096915.db2.gz XSLLWWGGBYJVJL-DDBAPUKQSA-N 0 3 351.491 2.043 20 30 FEEDHN O=C(CCNC(=O)[C@@H]1CCCN1C1CC1)N1CCN(c2ccccc2)CC1 ZINC000330271704 554097348 /nfs/dbraw/zinc/09/73/48/554097348.db2.gz WIGGFXCHAHIYOM-IBGZPJMESA-N 0 3 370.497 2.309 20 30 FEEDHN Cc1nc(N2CCOCC2)ccc1NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000330289813 554100252 /nfs/dbraw/zinc/10/02/52/554100252.db2.gz FGMNVEKYQRWJQE-QGZVFWFLSA-N 0 3 373.501 2.332 20 30 FEEDHN CCN1CCC(NC(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2cnn(C)c2)CC1 ZINC000330290640 554100305 /nfs/dbraw/zinc/10/03/05/554100305.db2.gz FZFZPNKZQSMKTN-AEFFLSMTSA-N 0 3 361.490 2.161 20 30 FEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000330489376 554128300 /nfs/dbraw/zinc/12/83/00/554128300.db2.gz KKKKSUAAVROHPU-ZNMIVQPWSA-N 0 3 367.490 2.483 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(N3CCC3=O)c2)cc1 ZINC000508235889 561756094 /nfs/dbraw/zinc/75/60/94/561756094.db2.gz KHYDPSHKFJKXIB-SFHVURJKSA-N 0 3 358.401 2.294 20 30 FEEDHN C=CCn1c(-c2ccoc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000508999274 561780929 /nfs/dbraw/zinc/78/09/29/561780929.db2.gz VSERIMWEJWIYEN-UHFFFAOYSA-N 0 3 357.458 2.273 20 30 FEEDHN CN(C)C(=O)C1(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)CCCC1 ZINC000331319013 554246505 /nfs/dbraw/zinc/24/65/05/554246505.db2.gz KLWRBPHRRWZLRI-HNNXBMFYSA-N 0 3 352.523 2.259 20 30 FEEDHN CC1CCC(N2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000331503034 554276214 /nfs/dbraw/zinc/27/62/14/554276214.db2.gz ZMHXAEYHDWPTOM-UHFFFAOYSA-N 0 3 354.498 2.371 20 30 FEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000331614006 554295233 /nfs/dbraw/zinc/29/52/33/554295233.db2.gz KKDLTLQVHFYTLB-MNEFBYGVSA-N 0 3 356.470 2.370 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1C(F)(F)F ZINC000332302077 554420792 /nfs/dbraw/zinc/42/07/92/554420792.db2.gz KWPYXYWMAGZOJY-HUUCEWRRSA-N 0 3 373.400 2.482 20 30 FEEDHN N#CCCCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000332345375 554429344 /nfs/dbraw/zinc/42/93/44/554429344.db2.gz FXKVKGKPHXZRMG-SFHVURJKSA-N 0 3 355.486 2.136 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](C)C3=CCN(C)CC3)C2)n1 ZINC000332907604 554541023 /nfs/dbraw/zinc/54/10/23/554541023.db2.gz ONMRMVCKRRHBHW-VQIMIIECSA-N 0 3 367.497 2.245 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000348582657 554689934 /nfs/dbraw/zinc/68/99/34/554689934.db2.gz FIMBHIGQDCUEJD-SZMVWBNQSA-N 0 3 357.454 2.020 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(c2ccc(OCCN3CCCCC3)cc2)C1=O ZINC000348600973 554691034 /nfs/dbraw/zinc/69/10/34/554691034.db2.gz XTFYRIBCJXABBY-GOSISDBHSA-N 0 3 373.453 2.179 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N([C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000348626836 554692463 /nfs/dbraw/zinc/69/24/63/554692463.db2.gz SWPDYTYHOFOLFE-JQHSSLGASA-N 0 3 357.454 2.020 20 30 FEEDHN Cn1cc([C@@H](O)CNCc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000360990116 554898889 /nfs/dbraw/zinc/89/88/89/554898889.db2.gz OLBRGKHSRGRWIU-SFHVURJKSA-N 0 3 350.426 2.020 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000362688147 554981098 /nfs/dbraw/zinc/98/10/98/554981098.db2.gz SKARTFMBIZTTSA-KXBFYZLASA-N 0 3 355.486 2.356 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000362908095 554998480 /nfs/dbraw/zinc/99/84/80/554998480.db2.gz YKLYGSPLXCRRCN-INIZCTEOSA-N 0 3 356.470 2.295 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CCN(C)[C@@H](C)C3)C2)n1 ZINC000363170258 555044818 /nfs/dbraw/zinc/04/48/18/555044818.db2.gz FHGLPDIASIVVLW-WDSOQIARSA-N 0 3 369.513 2.419 20 30 FEEDHN C=CCN(C[C@H](O)COC1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363629737 555150388 /nfs/dbraw/zinc/15/03/88/555150388.db2.gz FIKCLUSUWCPZEL-SFTDATJTSA-N 0 3 374.525 2.305 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2C(=N)NO)c1 ZINC000363773076 555182513 /nfs/dbraw/zinc/18/25/13/555182513.db2.gz BDFSLAYTFUDTNF-QGZVFWFLSA-N 0 3 357.458 2.361 20 30 FEEDHN C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000363785656 555185923 /nfs/dbraw/zinc/18/59/23/555185923.db2.gz ZMCYNQRELUSNMG-YQVWRLOYSA-N 0 3 361.486 2.314 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364009140 555232759 /nfs/dbraw/zinc/23/27/59/555232759.db2.gz ZUYTYDVQSKXNAM-GQIGUUNPSA-N 0 3 357.454 2.073 20 30 FEEDHN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCN2CCCCCC2)c1 ZINC000364045201 555239535 /nfs/dbraw/zinc/23/95/35/555239535.db2.gz UMPYEEYTHZXKCU-LJQANCHMSA-N 0 3 368.481 2.041 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H]1CSC[C@@H]1C ZINC000512221107 561896349 /nfs/dbraw/zinc/89/63/49/561896349.db2.gz WGZUZWQZHLTZDR-LRDDRELGSA-N 0 3 364.515 2.293 20 30 FEEDHN Cc1cc(NC(=O)N2CC[C@@H](N3CCCC3)C2)nn1-c1cccc(C#N)c1 ZINC000364506349 555325850 /nfs/dbraw/zinc/32/58/50/555325850.db2.gz GFNYVLZHDLNOFD-GOSISDBHSA-N 0 3 364.453 2.754 20 30 FEEDHN C[C@H](CN1CCCCC1)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364715260 555383796 /nfs/dbraw/zinc/38/37/96/555383796.db2.gz CXBVCBBDQSHVIE-VQIMIIECSA-N 0 3 368.481 2.040 20 30 FEEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000512664801 561911722 /nfs/dbraw/zinc/91/17/22/561911722.db2.gz BMSYKVMHJCBANW-ICSRJNTNSA-N 0 3 369.513 2.280 20 30 FEEDHN CC1CCN(CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000512671776 561911907 /nfs/dbraw/zinc/91/19/07/561911907.db2.gz GWZFTCLLVPOVAW-HXUWFJFHSA-N 0 3 369.513 2.138 20 30 FEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC(CCN2CCN(C)CC2)CC1 ZINC000364857262 555416675 /nfs/dbraw/zinc/41/66/75/555416675.db2.gz XGFJHYQTJQKRHF-HXUWFJFHSA-N 0 3 351.535 2.091 20 30 FEEDHN C=CCNC(=O)c1ccc(NC[C@@H]2CCCN(Cc3cccnc3)C2)nc1 ZINC000364903894 555432285 /nfs/dbraw/zinc/43/22/85/555432285.db2.gz ZFRDTKVLMQNFLZ-SFHVURJKSA-N 0 3 365.481 2.717 20 30 FEEDHN C=CCN(C(=O)c1cncc(OC)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000365094173 555484059 /nfs/dbraw/zinc/48/40/59/555484059.db2.gz NCPVUYGOJDVVRQ-KRWDZBQOSA-N 0 3 352.438 2.388 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1CCC(=O)Nc1sccc1C#N ZINC000365129586 555491755 /nfs/dbraw/zinc/49/17/55/555491755.db2.gz FBOYDNSAXKWLEX-AWEZNQCLSA-N 0 3 362.499 2.133 20 30 FEEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000365187259 555505525 /nfs/dbraw/zinc/50/55/25/555505525.db2.gz RIUDYVSVPWBCQS-CHWSQXEVSA-N 0 3 366.368 2.144 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCN3CCC[C@H](C)C3)C2)n1 ZINC000365751290 555659317 /nfs/dbraw/zinc/65/93/17/555659317.db2.gz JDYRDCGQVIXOKN-QFBILLFUSA-N 0 3 369.513 2.326 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCCC[C@H]3CN(C)C)C2)n1 ZINC000365755822 555660464 /nfs/dbraw/zinc/66/04/64/555660464.db2.gz ZDPJQYPTNRXLLX-MOPGFXCFSA-N 0 3 369.513 2.421 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(-n3cncn3)c2)cc1 ZINC000366343198 555816670 /nfs/dbraw/zinc/81/66/70/555816670.db2.gz ZQEJNZNILUESRE-GOSISDBHSA-N 0 3 356.389 2.138 20 30 FEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000366452481 555848231 /nfs/dbraw/zinc/84/82/31/555848231.db2.gz HNTMUXUIGLCKIA-GHTZIAJQSA-N 0 3 367.449 2.427 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000366729640 555919743 /nfs/dbraw/zinc/91/97/43/555919743.db2.gz MPQLCQZAXCIEJV-LPHOPBHVSA-N 0 3 351.491 2.006 20 30 FEEDHN CCc1nnc(N2CCC(N3CCN(C(C)C)CC3)CC2)c(C#N)c1CC ZINC000366900855 555963605 /nfs/dbraw/zinc/96/36/05/555963605.db2.gz GBRDFYPUTOITBL-UHFFFAOYSA-N 0 3 370.545 2.468 20 30 FEEDHN COc1cc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)ccc1C#N ZINC000366918897 555969956 /nfs/dbraw/zinc/96/99/56/555969956.db2.gz ANQMCVFGHMFJIA-INIZCTEOSA-N 0 3 350.422 2.034 20 30 FEEDHN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CCN1C1CCN(C)CC1 ZINC000367444269 556050604 /nfs/dbraw/zinc/05/06/04/556050604.db2.gz AUUZBQQGDNSUHJ-CQSZACIVSA-N 0 3 359.449 2.330 20 30 FEEDHN Cn1cc([C@@H]2[C@@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCCN2C)cn1 ZINC000367732384 556125789 /nfs/dbraw/zinc/12/57/89/556125789.db2.gz ZIBJGIBSKYDJEE-PXAZEXFGSA-N 0 3 369.429 2.277 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@@H]2[C@H]1c1ccccc1 ZINC000368619109 556364530 /nfs/dbraw/zinc/36/45/30/556364530.db2.gz NNRQKHMNLLMFOL-UWWQBHOKSA-N 0 3 357.435 2.075 20 30 FEEDHN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000368664016 556378523 /nfs/dbraw/zinc/37/85/23/556378523.db2.gz SYGSGPSIMJEJCF-HOTGVXAUSA-N 0 3 360.483 2.424 20 30 FEEDHN C[C@H](N[C@H]1CCCC[C@@H]1N1CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000368949972 556457162 /nfs/dbraw/zinc/45/71/62/556457162.db2.gz KVIOUKZVWGQHKL-SNRMKQJTSA-N 0 3 356.470 2.118 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)CC1 ZINC000369433520 556599520 /nfs/dbraw/zinc/59/95/20/556599520.db2.gz FKVQTJYEXUHAMZ-RBUKOAKNSA-N 0 3 362.518 2.212 20 30 FEEDHN C#CCNC(=O)c1ccc(NC[C@H]2CCN(C)[C@H]2c2cccs2)nc1 ZINC000369561388 556631440 /nfs/dbraw/zinc/63/14/40/556631440.db2.gz PAUPTKKTTRXFGP-RDTXWAMCSA-N 0 3 354.479 2.611 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000369592032 556641256 /nfs/dbraw/zinc/64/12/56/556641256.db2.gz ODFUTOCBWAKOJG-MRXNPFEDSA-N 0 3 373.522 2.204 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369683061 556667990 /nfs/dbraw/zinc/66/79/90/556667990.db2.gz VTNSEDIAZLFWJP-UHFFFAOYSA-N 0 3 371.397 2.387 20 30 FEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000516578379 562048979 /nfs/dbraw/zinc/04/89/79/562048979.db2.gz JREDHORYJVNDPV-RPVQJOFSSA-N 0 3 353.397 2.418 20 30 FEEDHN CN1CCN([C@@H]2CCCCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1 ZINC000370248601 556821485 /nfs/dbraw/zinc/82/14/85/556821485.db2.gz VLKYGBXMGZSKFP-CTWPCTMYSA-N 0 3 361.534 2.128 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000370304294 556834794 /nfs/dbraw/zinc/83/47/94/556834794.db2.gz XOXAOTTXJAZFQN-RTBURBONSA-N 0 3 373.497 2.382 20 30 FEEDHN CN(CCC#N)c1ccc(CN[C@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370522523 556898915 /nfs/dbraw/zinc/89/89/15/556898915.db2.gz LUVHTILPAONKDN-IBGZPJMESA-N 0 3 363.465 2.436 20 30 FEEDHN N#C[C@H]1CN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCN1C1CC1 ZINC000370970092 557031077 /nfs/dbraw/zinc/03/10/77/557031077.db2.gz VOBNQUDLEBYGOQ-VQTJNVASSA-N 0 3 367.497 2.205 20 30 FEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000371609050 557238838 /nfs/dbraw/zinc/23/88/38/557238838.db2.gz UGQVQQDIRFXXFH-IKGGRYGDSA-N 0 3 372.469 2.430 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371995046 557350887 /nfs/dbraw/zinc/35/08/87/557350887.db2.gz WASYRFYRRPLHJQ-FHWLQOOXSA-N 0 3 366.550 2.442 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2ccc(F)cc2Cl)nc1 ZINC000518758840 562117783 /nfs/dbraw/zinc/11/77/83/562117783.db2.gz DGSVAGVPUKMWHU-UHFFFAOYSA-N 0 3 367.833 2.352 20 30 FEEDHN CN(CC#Cc1ccc(F)cc1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000372184177 557402484 /nfs/dbraw/zinc/40/24/84/557402484.db2.gz CGPZLIJVIGMQMC-UHFFFAOYSA-N 0 3 357.473 2.196 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372525795 557493068 /nfs/dbraw/zinc/49/30/68/557493068.db2.gz YDLVFCFYLQNBPD-QRFRQXIXSA-N 0 3 357.502 2.014 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCN(CC(C)(C)O)CC1 ZINC000372575531 557510093 /nfs/dbraw/zinc/51/00/93/557510093.db2.gz YATYNMPENLKLLH-GOSISDBHSA-N 0 3 372.513 2.100 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(c2nnc3n2CCC3)CC1 ZINC000372577222 557510232 /nfs/dbraw/zinc/51/02/32/557510232.db2.gz FCKBGKWNYCXYBK-UHFFFAOYSA-N 0 3 364.453 2.304 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)NCCCCCc2ccccc2)CC1 ZINC000519613581 562137108 /nfs/dbraw/zinc/13/71/08/562137108.db2.gz YRMPHWQZHUKNJX-UHFFFAOYSA-N 0 3 357.498 2.282 20 30 FEEDHN CN(C1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(C#N)s1 ZINC000373820340 557766353 /nfs/dbraw/zinc/76/63/53/557766353.db2.gz UXFFMOLPCRCANI-UHFFFAOYSA-N 0 3 362.480 2.304 20 30 FEEDHN CN1CCC[C@@H](N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C1 ZINC000375033579 557967475 /nfs/dbraw/zinc/96/74/75/557967475.db2.gz WXLARUFPRBGKJC-LJQANCHMSA-N 0 3 352.482 2.094 20 30 FEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000375356791 558014655 /nfs/dbraw/zinc/01/46/55/558014655.db2.gz OWTVLTZSMYYQQR-FQEVSTJZSA-N 0 3 351.535 2.232 20 30 FEEDHN Cc1ncccc1O[C@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000375457481 558030631 /nfs/dbraw/zinc/03/06/31/558030631.db2.gz JZJYHYUUPQCYNB-HKUYNNGSSA-N 0 3 353.422 2.155 20 30 FEEDHN Cc1ncccc1O[C@@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000375457486 558030696 /nfs/dbraw/zinc/03/06/96/558030696.db2.gz JZJYHYUUPQCYNB-PKOBYXMFSA-N 0 3 353.422 2.155 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CC(C)C)N2CCOCC2)CC1 ZINC000521583233 562179313 /nfs/dbraw/zinc/17/93/13/562179313.db2.gz YQJSSBXJWQPETE-LJQANCHMSA-N 0 3 366.550 2.073 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000521584003 562179433 /nfs/dbraw/zinc/17/94/33/562179433.db2.gz AXPAAHKAICWDNJ-UHFFFAOYSA-N 0 3 361.446 2.346 20 30 FEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000376361865 558162997 /nfs/dbraw/zinc/16/29/97/558162997.db2.gz ZTBKGQHHJSEAJH-WFASDCNBSA-N 0 3 353.875 2.459 20 30 FEEDHN N#C[C@@H]1CN(C(=O)c2ccc(CN3CCCCC3)cc2)CCN1C1CC1 ZINC000376513957 558183806 /nfs/dbraw/zinc/18/38/06/558183806.db2.gz WICGHBWNJLVKCD-HXUWFJFHSA-N 0 3 352.482 2.485 20 30 FEEDHN CC(C)(CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)N1CCCCC1 ZINC000522100808 562191487 /nfs/dbraw/zinc/19/14/87/562191487.db2.gz GEYSJOZCELWGKF-UHFFFAOYSA-N 0 3 366.469 2.320 20 30 FEEDHN Cc1cc(=NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)[nH]n1CCC#N ZINC000377578229 558369901 /nfs/dbraw/zinc/36/99/01/558369901.db2.gz BKELKWNAXHHNNN-FUHWJXTLSA-N 0 3 366.469 2.890 20 30 FEEDHN C#Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3C(=O)NCCOC)C2)cc1 ZINC000377710899 558402876 /nfs/dbraw/zinc/40/28/76/558402876.db2.gz YHKXVBUIYXOIEY-GOSISDBHSA-N 0 3 366.465 2.147 20 30 FEEDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNCc1ccc(C#N)s1 ZINC000378014282 558463308 /nfs/dbraw/zinc/46/33/08/558463308.db2.gz XIPMSZIGGUUQQN-UHFFFAOYSA-N 0 3 358.515 2.093 20 30 FEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000409530433 558700562 /nfs/dbraw/zinc/70/05/62/558700562.db2.gz SNGBIVBRFDAACH-FUHWJXTLSA-N 0 3 364.515 2.139 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000410411684 558755858 /nfs/dbraw/zinc/75/58/58/558755858.db2.gz SIKIIYNLIRXQFR-QGPMSJSTSA-N 0 3 366.531 2.302 20 30 FEEDHN Cc1cc(NC(=O)C(=O)N(CCC#N)CC2CC2)ccc1OCCN(C)C ZINC000411392677 558886624 /nfs/dbraw/zinc/88/66/24/558886624.db2.gz DCBBYCOAGKKXAY-UHFFFAOYSA-N 0 3 372.469 2.026 20 30 FEEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCc4n[nH]nc4C3)sc2C1 ZINC000411621745 558930751 /nfs/dbraw/zinc/93/07/51/558930751.db2.gz RHRSUGZBGPKZPJ-NSHDSACASA-N 0 3 370.482 2.250 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000411645712 558934960 /nfs/dbraw/zinc/93/49/60/558934960.db2.gz UFIHANPNLBFIST-UHFFFAOYSA-N 0 3 359.518 2.450 20 30 FEEDHN N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000525990237 562262529 /nfs/dbraw/zinc/26/25/29/562262529.db2.gz WKJYJMWSACZLGF-INIZCTEOSA-N 0 3 354.454 2.348 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000413311909 559097988 /nfs/dbraw/zinc/09/79/88/559097988.db2.gz JICPUAQHFGASAZ-QUCCMNQESA-N 0 3 358.530 2.357 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415173729 559211945 /nfs/dbraw/zinc/21/19/45/559211945.db2.gz VBBQOOCBVGTHLD-UHFFFAOYSA-N 0 3 353.422 2.121 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H](C)CN1 ZINC000415562101 559249982 /nfs/dbraw/zinc/24/99/82/559249982.db2.gz OINBOMNOANSIJL-GJZGRUSLSA-N 0 3 369.469 2.484 20 30 FEEDHN C=CCOc1ccc(Br)cc1NC(=O)NCCNCCOC ZINC000415807269 559273146 /nfs/dbraw/zinc/27/31/46/559273146.db2.gz QKPYFFDSKPEFQC-UHFFFAOYSA-N 0 3 372.263 2.371 20 30 FEEDHN C=CCN(Cc1ccccc1)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415959794 559285260 /nfs/dbraw/zinc/28/52/60/559285260.db2.gz ZZLXQBPVNNCVPM-UHFFFAOYSA-N 0 3 352.442 2.106 20 30 FEEDHN C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417580676 559367551 /nfs/dbraw/zinc/36/75/51/559367551.db2.gz RKCCMHJOYSJFSN-LZWOXQAQSA-N 0 3 359.449 2.058 20 30 FEEDHN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)CN1 ZINC000417583886 559367988 /nfs/dbraw/zinc/36/79/88/559367988.db2.gz WZLHWUXACUPGGH-IIAWOOMASA-N 0 3 359.449 2.058 20 30 FEEDHN CN(C)C1(CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000419792841 559459481 /nfs/dbraw/zinc/45/94/81/559459481.db2.gz ARSXOSRGVLLITH-UHFFFAOYSA-N 0 3 361.445 2.235 20 30 FEEDHN N#CC1(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CCC1 ZINC000419820332 559461163 /nfs/dbraw/zinc/46/11/63/559461163.db2.gz RNRDJALEPFQMAP-UHFFFAOYSA-N 0 3 354.454 2.421 20 30 FEEDHN C=CCC[C@@H]1NC(=O)N(Cc2ccccc2CN2CCC(O)CC2)C1=O ZINC000419984523 559467663 /nfs/dbraw/zinc/46/76/63/559467663.db2.gz VRMSRKYSPLBGBL-SFHVURJKSA-N 0 3 357.454 2.030 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421292469 559536418 /nfs/dbraw/zinc/53/64/18/559536418.db2.gz BEKPNSDMPUBPMP-CABCVRRESA-N 0 3 374.510 2.429 20 30 FEEDHN CCCN(CCN1CCN(CC)CC1)C(=O)NCc1ccc(C#N)s1 ZINC000422220746 559572117 /nfs/dbraw/zinc/57/21/17/559572117.db2.gz VHCFZPZZHAPMML-UHFFFAOYSA-N 0 3 363.531 2.179 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000424058382 559653007 /nfs/dbraw/zinc/65/30/07/559653007.db2.gz DEJFODLXIFMNNJ-MRXNPFEDSA-N 0 3 357.454 2.407 20 30 FEEDHN COCCOc1ccc(Br)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424169843 559656742 /nfs/dbraw/zinc/65/67/42/559656742.db2.gz ANJWBTMMUYFTOB-LBPRGKRZSA-N 0 3 370.247 2.434 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000424178871 559656867 /nfs/dbraw/zinc/65/68/67/559656867.db2.gz XPVPWTBAZISQRW-KBPBESRZSA-N 0 3 369.252 2.236 20 30 FEEDHN COC(=O)c1cnc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000424975680 559681854 /nfs/dbraw/zinc/68/18/54/559681854.db2.gz IBNLITMMRBDZLL-SMDDNHRTSA-N 0 3 368.418 2.361 20 30 FEEDHN CC(C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)S(=O)(=O)C1CCOCC1 ZINC000425135790 559688294 /nfs/dbraw/zinc/68/82/94/559688294.db2.gz VYFHQZNYSDXLGT-KBPBESRZSA-N 0 3 364.467 2.060 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC000425815450 559721071 /nfs/dbraw/zinc/72/10/71/559721071.db2.gz SMMSACVQRYPQLY-AZUAARDMSA-N 0 3 374.444 2.230 20 30 FEEDHN C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425891005 559724238 /nfs/dbraw/zinc/72/42/38/559724238.db2.gz OIFHJHBHJFGXCY-SJORKVTESA-N 0 3 370.497 2.458 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000425910555 559725083 /nfs/dbraw/zinc/72/50/83/559725083.db2.gz WNSIXIJMVVPWFB-CRAIPNDOSA-N 0 3 370.497 2.314 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000426347473 559733100 /nfs/dbraw/zinc/73/31/00/559733100.db2.gz LXGVVPLGWQZFNT-RTBURBONSA-N 0 3 371.481 2.432 20 30 FEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC000433372927 559879122 /nfs/dbraw/zinc/87/91/22/559879122.db2.gz QLJQKQWWERTOEP-SJLPKXTDSA-N 0 3 356.397 2.454 20 30 FEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434593277 559903195 /nfs/dbraw/zinc/90/31/95/559903195.db2.gz AMVLYYRTKHQQTQ-GJZGRUSLSA-N 0 3 373.501 2.432 20 30 FEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434593279 559903211 /nfs/dbraw/zinc/90/32/11/559903211.db2.gz AMVLYYRTKHQQTQ-HUUCEWRRSA-N 0 3 373.501 2.432 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1CCCC[C@H]1C ZINC000434729781 559908011 /nfs/dbraw/zinc/90/80/11/559908011.db2.gz ZEPKTUYUEXOHGI-HUUCEWRRSA-N 0 3 373.501 2.432 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441011575 560021619 /nfs/dbraw/zinc/02/16/19/560021619.db2.gz PFDTXOSKBNRHPA-UHFFFAOYSA-N 0 3 357.458 2.252 20 30 FEEDHN CC(C)[C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)N1CCN(C)CC1 ZINC000443440621 560084087 /nfs/dbraw/zinc/08/40/87/560084087.db2.gz SRBRAGHTLQFNBA-HNNXBMFYSA-N 0 3 355.408 2.656 20 30 FEEDHN CN(C)CCO[C@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000443494843 560085476 /nfs/dbraw/zinc/08/54/76/560085476.db2.gz DNONPDRDKIGTJE-HNNXBMFYSA-N 0 3 355.398 2.172 20 30 FEEDHN CCOC(=O)c1ccc(N2CC(NCc3ccc(C#N)c(C)c3)C2)nc1 ZINC000443987583 560098554 /nfs/dbraw/zinc/09/85/54/560098554.db2.gz KAJUVCUUOQUTBC-UHFFFAOYSA-N 0 3 350.422 2.417 20 30 FEEDHN C[C@@H]1[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCCN1C ZINC000446629702 560148759 /nfs/dbraw/zinc/14/87/59/560148759.db2.gz VXXUCUGMCMINHH-AGERRDQYSA-N 0 3 371.485 2.425 20 30 FEEDHN CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448885524 560204992 /nfs/dbraw/zinc/20/49/92/560204992.db2.gz XARLXQBQRDSSFY-ZBFHGGJFSA-N 0 3 374.872 2.117 20 30 FEEDHN N#CCCCOc1cccc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000449692144 560237110 /nfs/dbraw/zinc/23/71/10/560237110.db2.gz AJZNIHCRGMPBLP-LJQANCHMSA-N 0 3 370.497 2.155 20 30 FEEDHN C[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)N(C)C1CC1 ZINC000449834059 560241882 /nfs/dbraw/zinc/24/18/82/560241882.db2.gz IWQLLZLLTOITDT-NSHDSACASA-N 0 3 366.259 2.298 20 30 FEEDHN C=CCOc1ccc(CC(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000450367700 560260237 /nfs/dbraw/zinc/26/02/37/560260237.db2.gz YZHWYUNJUNRCOV-SFHVURJKSA-N 0 3 371.525 2.421 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000450406730 560261447 /nfs/dbraw/zinc/26/14/47/560261447.db2.gz SDBWVJHUSFJISJ-UXHICEINSA-N 0 3 358.482 2.411 20 30 FEEDHN N#Cc1ccc(N2CCN([C@H]3CCNC(=O)CC3)CC2)c(C(F)(F)F)c1 ZINC000450891785 560276972 /nfs/dbraw/zinc/27/69/72/560276972.db2.gz LJIQEVCMJJZVDB-CQSZACIVSA-N 0 3 366.387 2.368 20 30 FEEDHN CC[C@H]1CCCCN1CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451190565 560292365 /nfs/dbraw/zinc/29/23/65/560292365.db2.gz LILWTQAUVLCJAC-KRWDZBQOSA-N 0 3 353.463 2.381 20 30 FEEDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453640079 560392651 /nfs/dbraw/zinc/39/26/51/560392651.db2.gz GKLLJZQISXWWSF-LBPRGKRZSA-N 0 3 350.850 2.191 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453647262 560393210 /nfs/dbraw/zinc/39/32/10/560393210.db2.gz RLJKSSDVJLIUTN-INIZCTEOSA-N 0 3 372.469 2.275 20 30 FEEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)C1CC1 ZINC000453650608 560393406 /nfs/dbraw/zinc/39/34/06/560393406.db2.gz XAVIVDDZLMJQDC-CYBMUJFWSA-N 0 3 362.499 2.312 20 30 FEEDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453668471 560395181 /nfs/dbraw/zinc/39/51/81/560395181.db2.gz KHFJLUOFEFILSI-UHFFFAOYSA-N 0 3 370.478 2.343 20 30 FEEDHN N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000453705000 560398263 /nfs/dbraw/zinc/39/82/63/560398263.db2.gz GJSOULSUEPKYPW-SFHVURJKSA-N 0 3 354.454 2.168 20 30 FEEDHN C=C(CC)CNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000454022283 560422605 /nfs/dbraw/zinc/42/26/05/560422605.db2.gz DQTVCVUMWHXJMA-UHFFFAOYSA-N 0 3 370.497 2.240 20 30 FEEDHN C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000454053070 560425255 /nfs/dbraw/zinc/42/52/55/560425255.db2.gz HWFSGERNURJZEQ-SFHVURJKSA-N 0 3 359.470 2.054 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000454320961 560439642 /nfs/dbraw/zinc/43/96/42/560439642.db2.gz IVBQOKFAWFNDIH-AQNXPRMDSA-N 0 3 372.513 2.008 20 30 FEEDHN CN(Cc1ccccc1)C1(CNC(=O)N=c2ccn(CCC#N)[nH]2)CCC1 ZINC000454830966 560459958 /nfs/dbraw/zinc/45/99/58/560459958.db2.gz ORBNCCVAHYIROR-UHFFFAOYSA-N 0 3 366.469 2.973 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(OCC(F)(F)F)n2)CC1 ZINC000455982749 560503257 /nfs/dbraw/zinc/50/32/57/560503257.db2.gz LUSXAXDTJMYMHN-UHFFFAOYSA-N 0 3 373.379 2.580 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000458660338 560638993 /nfs/dbraw/zinc/63/89/93/560638993.db2.gz SPSUXBCATSFRAP-AQNXPRMDSA-N 0 3 373.497 2.176 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000459821106 560710889 /nfs/dbraw/zinc/71/08/89/560710889.db2.gz KDNYTEWDLYGIOB-UHFFFAOYSA-N 0 3 358.486 2.181 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000459866744 560714816 /nfs/dbraw/zinc/71/48/16/560714816.db2.gz LGLQFRXIONGSSH-INIZCTEOSA-N 0 3 361.511 2.350 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000460067411 560732770 /nfs/dbraw/zinc/73/27/70/560732770.db2.gz PTKUDNOLVKPTLQ-FQEVSTJZSA-N 0 3 369.509 2.331 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000467022146 560901814 /nfs/dbraw/zinc/90/18/14/560901814.db2.gz HCFSLQYJDLFONU-VQIMIIECSA-N 0 3 368.481 2.312 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(C)CC[C@H]3C)C2)n1 ZINC000471953474 561015008 /nfs/dbraw/zinc/01/50/08/561015008.db2.gz QLEADHPNSNRUTK-AEFFLSMTSA-N 0 3 355.486 2.031 20 30 FEEDHN CN(C)Cc1ccc(S(=O)(=O)N(CCC#N)Cc2ccccn2)cc1 ZINC000472681496 561032806 /nfs/dbraw/zinc/03/28/06/561032806.db2.gz DNRRNBASDULYCI-UHFFFAOYSA-N 0 3 358.467 2.248 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)N1CCN(C)CC1 ZINC000475940576 561108211 /nfs/dbraw/zinc/10/82/11/561108211.db2.gz TWNOKQALLFWYIL-VQTJNVASSA-N 0 3 356.514 2.462 20 30 FEEDHN CC(C)[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)N1CCN(C)CC1 ZINC000475940577 561108246 /nfs/dbraw/zinc/10/82/46/561108246.db2.gz TWNOKQALLFWYIL-WOJBJXKFSA-N 0 3 356.514 2.462 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000528435102 562329122 /nfs/dbraw/zinc/32/91/22/562329122.db2.gz ZADFPKRWTTWPEF-IRXDYDNUSA-N 0 3 367.453 2.173 20 30 FEEDHN CO[C@H]1C[C@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528515466 562333456 /nfs/dbraw/zinc/33/34/56/562333456.db2.gz AAUDULZDNMXRNK-ROUUACIJSA-N 0 3 352.434 2.175 20 30 FEEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(=O)N3CCOCC3)cc2)nc(C)n1 ZINC000528920967 562352906 /nfs/dbraw/zinc/35/29/06/562352906.db2.gz WUEXSMMOGURQEJ-KRWDZBQOSA-N 0 3 364.405 2.056 20 30 FEEDHN N#Cc1ccc(CC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000529222993 562365518 /nfs/dbraw/zinc/36/55/18/562365518.db2.gz RJTPUJGUNNSPOW-UHFFFAOYSA-N 0 3 366.387 2.417 20 30 FEEDHN CC1CC(C#N)(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000531808006 562457289 /nfs/dbraw/zinc/45/72/89/562457289.db2.gz HOEJJUUSACGCAV-FXUPRZHBSA-N 0 3 354.454 2.262 20 30 FEEDHN CC1CC(C#N)(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000532066777 562465773 /nfs/dbraw/zinc/46/57/73/562465773.db2.gz IOYLIJFOHGLJMP-UHFFFAOYSA-N 0 3 368.481 2.068 20 30 FEEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000533289958 562503997 /nfs/dbraw/zinc/50/39/97/562503997.db2.gz HSWNPGCJBYHECG-YJBOKZPZSA-N 0 3 373.501 2.404 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c(F)c1 ZINC000533451826 562509310 /nfs/dbraw/zinc/50/93/10/562509310.db2.gz FXVWCZIKYHIUQC-WMLDXEAASA-N 0 3 363.458 2.335 20 30 FEEDHN N#Cc1ccc(Oc2ccc(C(=O)NCCNc3ccncc3)cc2)nc1 ZINC000534525711 562535922 /nfs/dbraw/zinc/53/59/22/562535922.db2.gz VHIYYRJMQLDZOL-UHFFFAOYSA-N 0 3 359.389 2.404 20 30 FEEDHN N#Cc1ccc([C@@H](NCCOc2cccc(C(F)(F)F)n2)C(N)=O)cc1 ZINC000535402207 562557731 /nfs/dbraw/zinc/55/77/31/562557731.db2.gz QUMBOKSFINLCMO-OAHLLOKOSA-N 0 3 364.327 2.167 20 30 FEEDHN CNC(=O)CCOC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000535800855 562568402 /nfs/dbraw/zinc/56/84/02/562568402.db2.gz SSNYQRRSBKGPPO-UHFFFAOYSA-N 0 3 359.470 2.486 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NC3CCN(C(=O)C4CC4)CC3)C2=O)cc1 ZINC000540906083 562596416 /nfs/dbraw/zinc/59/64/16/562596416.db2.gz VJHVSQBYYZMZTN-IBGZPJMESA-N 0 3 366.465 2.044 20 30 FEEDHN Cn1cc(C(=O)NCC2CCN(Cc3ccc(CC#N)cc3)CC2)cn1 ZINC000541352142 562610015 /nfs/dbraw/zinc/61/00/15/562610015.db2.gz KKHLHIXSCGYYLB-UHFFFAOYSA-N 0 3 351.454 2.128 20 30 FEEDHN CCOC(=O)[C@]1(CNC(=O)C(C#N)CCc2ccccc2)CCCOC1 ZINC000601870279 567868630 /nfs/dbraw/zinc/86/86/30/567868630.db2.gz OFIBAWLOGNOEDJ-XLIONFOSSA-N 0 3 358.438 2.235 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[C@@H]2C#N)c(OCCN(C)C)c1 ZINC000602072569 567916319 /nfs/dbraw/zinc/91/63/19/567916319.db2.gz DECBKXUKNOADON-WBVHZDCISA-N 0 3 372.469 2.025 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N3CCC[C@H](CC#N)C3)ccc2[nH]c1=O ZINC000602178161 567942325 /nfs/dbraw/zinc/94/23/25/567942325.db2.gz JUDXXDUJJAKPLA-CQSZACIVSA-N 0 3 355.442 2.069 20 30 FEEDHN C[C@H](CC1(C#N)CCOCC1)NCCn1cc(Br)ccc1=O ZINC000602674333 568008690 /nfs/dbraw/zinc/00/86/90/568008690.db2.gz OOHZFMUXZZRXOE-CYBMUJFWSA-N 0 3 368.275 2.299 20 30 FEEDHN COc1ccc(N2C[C@@H](N[C@H](C)CC3(C#N)CCOCC3)CC2=O)cc1 ZINC000602709896 568018887 /nfs/dbraw/zinc/01/88/87/568018887.db2.gz JPPZFKBYMPPMDM-CVEARBPZSA-N 0 3 357.454 2.489 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000602722083 568023097 /nfs/dbraw/zinc/02/30/97/568023097.db2.gz LZIXBFCYABXRNO-PZJWPPBQSA-N 0 3 370.541 2.491 20 30 FEEDHN C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)C[C@H](C)N1CC#N ZINC000603087987 568059358 /nfs/dbraw/zinc/05/93/58/568059358.db2.gz CFNDHGFIIFTBOA-BYNSBNAKSA-N 0 3 374.451 2.340 20 30 FEEDHN CCOc1ccc(OC[C@@H](O)CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000569111919 568278059 /nfs/dbraw/zinc/27/80/59/568278059.db2.gz DWSHCFMRYMTCTK-KRWDZBQOSA-N 0 3 356.422 2.495 20 30 FEEDHN COc1cc(CNC(=O)NCCN(C)Cc2ccccc2)ccc1C#N ZINC000569164200 568298361 /nfs/dbraw/zinc/29/83/61/568298361.db2.gz ZYPBZDUKGGCYCE-UHFFFAOYSA-N 0 3 352.438 2.498 20 30 FEEDHN Cc1cc(CN)cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1 ZINC000569448717 568402765 /nfs/dbraw/zinc/40/27/65/568402765.db2.gz KAIOYNKEVXNUHU-UHFFFAOYSA-N 0 3 350.426 2.075 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)CC1 ZINC000569810403 568426695 /nfs/dbraw/zinc/42/66/95/568426695.db2.gz YBAWKWATROFJPY-PCCBWWKXSA-N 0 3 366.509 2.289 20 30 FEEDHN COC(=O)C1CCN(CCCNc2cccc(-n3cccn3)c2C#N)CC1 ZINC000569988054 568446806 /nfs/dbraw/zinc/44/68/06/568446806.db2.gz JCVCLAAQPDPMTC-UHFFFAOYSA-N 0 3 367.453 2.431 20 30 FEEDHN C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820420156 599303239 /nfs/dbraw/zinc/30/32/39/599303239.db2.gz NEBWSNCUNVOQHP-ZDUSSCGKSA-N 0 3 361.409 2.418 20 30 FEEDHN CC[C@@H]1[C@@H](C(=O)C(C#N)C(=O)NC(C)C)CCN1C(=O)OC(C)(C)C ZINC000810533842 674549325 /nfs/dbraw/zinc/54/93/25/674549325.db2.gz XHLUPLQWRVRHJX-BFHYXJOUSA-N 0 3 351.447 2.255 20 30 FEEDHN Cc1ccnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1-c1nnn[n-]1 ZINC000826310852 609527577 /nfs/dbraw/zinc/52/75/77/609527577.db2.gz KLUZNOJETZBWIM-UHFFFAOYSA-N 0 3 374.452 2.154 20 30 FEEDHN Cc1ccnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1-c1nnn[n-]1 ZINC000826310852 609527578 /nfs/dbraw/zinc/52/75/78/609527578.db2.gz KLUZNOJETZBWIM-UHFFFAOYSA-N 0 3 374.452 2.154 20 30 FEEDHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)CCC(C)(C)C#N)C1 ZINC000569532175 670573930 /nfs/dbraw/zinc/57/39/30/670573930.db2.gz RGHWVKLYDSLXQL-KRWDZBQOSA-N 0 3 364.515 2.105 20 30 FEEDHN CN(C)[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000610497408 675975908 /nfs/dbraw/zinc/97/59/08/675975908.db2.gz ZXVJHUDNFYYFGJ-IBGZPJMESA-N 0 3 357.479 2.224 20 30 FEEDHN N#CC(C(=O)CCNC(=O)OCC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000159656880 672284080 /nfs/dbraw/zinc/28/40/80/672284080.db2.gz GILJNXVTEPFEIY-SECBINFHSA-N 0 3 354.288 2.418 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Br)s1 ZINC000173957129 672356056 /nfs/dbraw/zinc/35/60/56/672356056.db2.gz QTXDWIHFDITVBY-BDAKNGLRSA-N 0 3 359.245 2.086 20 30 FEEDHN Cc1cc(C#N)ccc1CN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000590120429 672560946 /nfs/dbraw/zinc/56/09/46/672560946.db2.gz ALLHXXFFCYVEHY-UHFFFAOYSA-N 0 3 359.451 2.025 20 30 FEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc3c(c2)OCO3)cc1Cl ZINC000591765947 672709130 /nfs/dbraw/zinc/70/91/30/672709130.db2.gz VEUZWJMJTVIJTP-AWEZNQCLSA-N 0 3 360.797 2.470 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000594444833 673073041 /nfs/dbraw/zinc/07/30/41/673073041.db2.gz DFSLKYATJVXXLC-CABCVRRESA-N 0 3 366.824 2.112 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000594446481 673073329 /nfs/dbraw/zinc/07/33/29/673073329.db2.gz UKKOOQUCEYIAEO-LLVKDONJSA-N 0 3 355.341 2.044 20 30 FEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000329741896 673082815 /nfs/dbraw/zinc/08/28/15/673082815.db2.gz OZAKNYFSEMFSOC-CXAGYDPISA-N 0 3 365.499 2.114 20 30 FEEDHN COC(=O)c1cnc([C@@H]2CCCN(C(=O)[C@@H](N)CCCCC#N)C2)s1 ZINC000595998046 673346960 /nfs/dbraw/zinc/34/69/60/673346960.db2.gz WPZIULBVQSMXNI-OLZOCXBDSA-N 0 3 364.471 2.047 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1 ZINC000596066389 673355448 /nfs/dbraw/zinc/35/54/48/673355448.db2.gz OCPYKXCREFUYKU-CEXWTWQISA-N 0 3 356.422 2.399 20 30 FEEDHN C[C@@H](c1ccccc1)[C@H](O)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000596068223 673355515 /nfs/dbraw/zinc/35/55/15/673355515.db2.gz GESVQKRYPHDASX-HNAYVOBHSA-N 0 3 358.463 2.086 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCOCO1 ZINC000732738606 673380416 /nfs/dbraw/zinc/38/04/16/673380416.db2.gz SDNVWKMEGRAPSK-OAHLLOKOSA-N 0 3 352.504 2.348 20 30 FEEDHN Cc1ccc(CN(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1C#N ZINC000599426250 673674369 /nfs/dbraw/zinc/67/43/69/673674369.db2.gz AAWYRODICNCUNC-UHFFFAOYSA-N 0 3 359.451 2.025 20 30 FEEDHN N#CC1(C[C@@H](O)CN[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000600732575 673795246 /nfs/dbraw/zinc/79/52/46/673795246.db2.gz SILCODDYMZSZEH-DOMZBBRYSA-N 0 3 351.809 2.229 20 30 FEEDHN Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000601298121 673839422 /nfs/dbraw/zinc/83/94/22/673839422.db2.gz GVDLYZMDJWHRQE-UHFFFAOYSA-N 0 3 353.463 2.499 20 30 FEEDHN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000747106762 673907214 /nfs/dbraw/zinc/90/72/14/673907214.db2.gz YSJNTSRHYXEJGE-TZMCWYRMSA-N 0 3 351.447 2.257 20 30 FEEDHN N#Cc1cc(N2CCCN(C[C@@H]3CCCO3)CC2)ncc1Br ZINC000603270117 673920584 /nfs/dbraw/zinc/92/05/84/673920584.db2.gz CNDFMKUJCRCWOR-AWEZNQCLSA-N 0 3 365.275 2.407 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H](CCO)c2ccccc2)cc1 ZINC000566235505 675197109 /nfs/dbraw/zinc/19/71/09/675197109.db2.gz YAWNFDIRZMABNW-GOSISDBHSA-N 0 3 358.463 2.088 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000818615213 675228939 /nfs/dbraw/zinc/22/89/39/675228939.db2.gz CYMVSDJHGDZVRQ-ZDUSSCGKSA-N 0 3 353.260 2.288 20 30 FEEDHN C=CCOc1ccccc1CNC[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819049430 675255431 /nfs/dbraw/zinc/25/54/31/675255431.db2.gz JNWGLTDLLYABEO-GOSISDBHSA-N 0 3 361.463 2.478 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825756198 675667568 /nfs/dbraw/zinc/66/75/68/675667568.db2.gz LPTYUCFDFLNGOF-UHFFFAOYSA-N 0 3 369.219 2.133 20 30 FEEDHN Clc1ccc(CNN=C2CCN(CCN3CCOCC3)CC2)cc1 ZINC000764718568 680819382 /nfs/dbraw/zinc/81/93/82/680819382.db2.gz NOFWJGATPGFPPV-UHFFFAOYSA-N 0 3 350.894 2.214 20 30 FEEDHN C=C(Cl)COc1ccc([C@@H](C)NCC(=O)N2CCN(C)CC2)cc1 ZINC000765415873 680841525 /nfs/dbraw/zinc/84/15/25/680841525.db2.gz DOZABPXONRHQKO-OAHLLOKOSA-N 0 3 351.878 2.243 20 30 FEEDHN COC(=O)[C@]1(F)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000752309907 680235695 /nfs/dbraw/zinc/23/56/95/680235695.db2.gz OAJHULYZZORPLE-GTNSWQLSSA-N 0 3 361.398 2.060 20 30 FEEDHN CC(C)(CCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F)[N+](=O)[O-] ZINC000835341390 680321336 /nfs/dbraw/zinc/32/13/36/680321336.db2.gz UJCBSFXEXHUDKK-GFCCVEGCSA-N 0 3 353.325 2.125 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC(NCc2snnc2C)CC1 ZINC001026495952 680344686 /nfs/dbraw/zinc/34/46/86/680344686.db2.gz BFLXKEYMSGMBCN-FJBKBRRZSA-N 0 3 364.515 2.345 20 30 FEEDHN C=C(Br)CNC1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC000997086162 680346909 /nfs/dbraw/zinc/34/69/09/680346909.db2.gz WSMYQTLVRMAJOE-GJZGRUSLSA-N 0 3 357.292 2.457 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC(NCC(=C)Br)C1 ZINC000998788248 680389051 /nfs/dbraw/zinc/38/90/51/680389051.db2.gz QPDUNRBOLHMNBH-CVSAEHQPSA-N 0 3 357.292 2.455 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCc1cc(Br)ccc1OC ZINC000836262820 680442308 /nfs/dbraw/zinc/44/23/08/680442308.db2.gz GADSTBQOHRRECA-UHFFFAOYSA-N 0 3 368.275 2.212 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CN([C@@H](C)COC)C2)CC1 ZINC001035814891 680453101 /nfs/dbraw/zinc/45/31/01/680453101.db2.gz VVGMVYKAYZCUDV-BZSNNMDCSA-N 0 3 350.503 2.317 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1 ZINC000836489060 680476143 /nfs/dbraw/zinc/47/61/43/680476143.db2.gz VCEVVLQPOIFAGX-INIZCTEOSA-N 0 3 365.861 2.199 20 30 FEEDHN Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCN3C(C)C)C2)c1C#N ZINC001042210778 680523923 /nfs/dbraw/zinc/52/39/23/680523923.db2.gz CLLRZVQPPHOVLG-DAXOMENPSA-N 0 3 361.515 2.137 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043510683 680584835 /nfs/dbraw/zinc/58/48/35/680584835.db2.gz DICNMWMVIUIIEX-NQBHXWOUSA-N 0 3 367.906 2.411 20 30 FEEDHN COC(=O)[C@@]1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000759786646 680667267 /nfs/dbraw/zinc/66/72/67/680667267.db2.gz XIYNCNIBNOZEAQ-XIKOKIGWSA-N 0 3 357.435 2.358 20 30 FEEDHN CCC[C@H]1C(=O)NCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000766256602 680872012 /nfs/dbraw/zinc/87/20/12/680872012.db2.gz KINYNOSWPIEYFB-JSGCOSHPSA-N 0 3 356.451 2.073 20 30 FEEDHN C[C@H](C[C@@H](O)c1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000843090247 680987096 /nfs/dbraw/zinc/98/70/96/680987096.db2.gz VPBBKWQNGDYQDY-DNVCBOLYSA-N 0 3 358.463 2.434 20 30 FEEDHN C=CCN1CC[C@@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O ZINC000844444018 681059180 /nfs/dbraw/zinc/05/91/80/681059180.db2.gz UMEIXMWGGWZXKZ-MRXNPFEDSA-N 0 3 351.491 2.400 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2OC)CC1 ZINC000773377257 681139427 /nfs/dbraw/zinc/13/94/27/681139427.db2.gz UQPZEVZFLZVZCQ-UHFFFAOYSA-N 0 3 351.834 2.054 20 30 FEEDHN CNC(=O)C(C#N)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000774057243 681166604 /nfs/dbraw/zinc/16/66/04/681166604.db2.gz XPBAVLORWPLVPO-GFCCVEGCSA-N 0 3 351.200 2.257 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933447884 681414626 /nfs/dbraw/zinc/41/46/26/681414626.db2.gz HHRPTKOYPAVZNN-KBXCAEBGSA-N 0 3 351.878 2.231 20 30 FEEDHN CN(CCC#N)C(=O)CCN[C@](C)(CO)c1cccc(Br)c1 ZINC000934495104 681578748 /nfs/dbraw/zinc/57/87/48/681578748.db2.gz CECFMMQRWIWEMI-MRXNPFEDSA-N 0 3 368.275 2.008 20 30 FEEDHN CCCCCN(CC(N)=O)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000780338436 681815921 /nfs/dbraw/zinc/81/59/21/681815921.db2.gz CCRCCFVUXYJNLU-ZDUSSCGKSA-N 0 3 358.467 2.450 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)Cc1sc(SCC(C)C)nc1C ZINC000850757892 681957072 /nfs/dbraw/zinc/95/70/72/681957072.db2.gz UBJLCRDJUWERKE-GFCCVEGCSA-N 0 3 369.512 2.214 20 30 FEEDHN Cn1cc(CCC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1 ZINC000850761634 681957358 /nfs/dbraw/zinc/95/73/58/681957358.db2.gz PQEKORLVNYHKRN-ZDUSSCGKSA-N 0 3 366.208 2.402 20 30 FEEDHN Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000914267248 685501626 /nfs/dbraw/zinc/50/16/26/685501626.db2.gz HCDMMBQCSPRMCR-IEBWSBKVSA-N 0 3 361.511 2.421 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c2ccccc12 ZINC000916891026 685528501 /nfs/dbraw/zinc/52/85/01/685528501.db2.gz OJRLRDJPSXPNJH-CQSZACIVSA-N 0 3 360.797 2.343 20 30 FEEDHN COCCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCOC1 ZINC000786190062 682358280 /nfs/dbraw/zinc/35/82/80/682358280.db2.gz KSKSRUDUKLZEEN-KGLIPLIRSA-N 0 3 359.451 2.210 20 30 FEEDHN C=CCOc1c(Cl)cc(CNC[C@H](O)c2cnn(C)c2)cc1OC ZINC000858145842 682938239 /nfs/dbraw/zinc/93/82/39/682938239.db2.gz HGYWQXPFEKTVEE-HNNXBMFYSA-N 0 3 351.834 2.470 20 30 FEEDHN C[C@@H](C#N)Oc1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796514430 683167412 /nfs/dbraw/zinc/16/74/12/683167412.db2.gz LDUQAKMMPWMBLW-XJKSGUPXSA-N 0 3 357.376 2.330 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000798816900 683394676 /nfs/dbraw/zinc/39/46/76/683394676.db2.gz RIFIRTRWBVBTQO-GWCFXTLKSA-N 0 3 351.200 2.227 20 30 FEEDHN CC(C)(Cc1ccc(C#N)cc1)NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000921447222 683471055 /nfs/dbraw/zinc/47/10/55/683471055.db2.gz BJBXEXMHLWAQSZ-IBGZPJMESA-N 0 3 361.511 2.285 20 30 FEEDHN N#Cc1cc(CNC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cs1 ZINC000921595126 683514446 /nfs/dbraw/zinc/51/44/46/683514446.db2.gz ZFSXTXDLOWUANW-CQSZACIVSA-N 0 3 357.435 2.034 20 30 FEEDHN N#Cc1cc(CNC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cs1 ZINC000921595123 683514506 /nfs/dbraw/zinc/51/45/06/683514506.db2.gz ZFSXTXDLOWUANW-AWEZNQCLSA-N 0 3 357.435 2.034 20 30 FEEDHN C[C@@H](CNCc1cc(C#N)ccc1Br)CN1CCOCC1 ZINC000921763938 683568108 /nfs/dbraw/zinc/56/81/08/683568108.db2.gz DCSURAZEUJXSTF-ZDUSSCGKSA-N 0 3 352.276 2.379 20 30 FEEDHN CC1(C)CCNCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000866803452 684156473 /nfs/dbraw/zinc/15/64/73/684156473.db2.gz VUFHSWZUSAXKTG-UHFFFAOYSA-N 0 3 372.288 2.083 20 30 FEEDHN COCCNS(=O)(=O)c1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000925093853 684524040 /nfs/dbraw/zinc/52/40/40/684524040.db2.gz STLQJXJNUYIHPR-AWEZNQCLSA-N 0 3 353.488 2.029 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)[C@H]1CCOC1 ZINC000870138044 684687099 /nfs/dbraw/zinc/68/70/99/684687099.db2.gz ATWXCYZDIUKUFB-MKBNYLNASA-N 0 3 350.802 2.429 20 30 FEEDHN C#CC[C@@H](COC)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000875923092 686104179 /nfs/dbraw/zinc/10/41/79/686104179.db2.gz WXXSWXYOWCOYNJ-INIZCTEOSA-N 0 3 353.413 2.076 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000876650616 686236688 /nfs/dbraw/zinc/23/66/88/686236688.db2.gz WCYYPIBETNHCLX-KRWDZBQOSA-N 0 3 363.889 2.054 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000876727250 686254235 /nfs/dbraw/zinc/25/42/35/686254235.db2.gz GEGCGCCRLXBTPN-AWEZNQCLSA-N 0 3 350.850 2.037 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000876891440 686288473 /nfs/dbraw/zinc/28/84/73/686288473.db2.gz YBMILINIGPXNPO-CQSZACIVSA-N 0 3 358.269 2.263 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000876979725 686304325 /nfs/dbraw/zinc/30/43/25/686304325.db2.gz PTNVBIPJATYGME-GHMZBOCLSA-N 0 3 357.863 2.106 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000877265760 686346266 /nfs/dbraw/zinc/34/62/66/686346266.db2.gz IVGOODGVSAQGES-OAHLLOKOSA-N 0 3 354.857 2.376 20 30 FEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880716048 687077890 /nfs/dbraw/zinc/07/78/90/687077890.db2.gz NBOOIAHKSFTWIA-ZDUSSCGKSA-N 0 3 352.385 2.411 20 30 FEEDHN CN1CCN(CCNc2ncc(C#N)cc2Br)CC1(C)C ZINC000882313034 687345775 /nfs/dbraw/zinc/34/57/75/687345775.db2.gz QGMOPRAKNXEDAW-UHFFFAOYSA-N 0 3 352.280 2.154 20 30 FEEDHN COc1ccc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)cc1OCCCC#N ZINC000883378894 687619124 /nfs/dbraw/zinc/61/91/24/687619124.db2.gz DJUAHVDGGHNURO-SHTZXODSSA-N 0 3 352.456 2.043 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3cccc(Br)c3C1)C2 ZINC000884142896 687799562 /nfs/dbraw/zinc/79/95/62/687799562.db2.gz OIHJBTYDMZLGKE-TXKKKEFDSA-N 0 3 374.282 2.473 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@H](Oc3ccccc3Cl)C1)C2 ZINC000884323795 687848501 /nfs/dbraw/zinc/84/85/01/687848501.db2.gz YSIYSPASQKOGPW-QXGUJMOYSA-N 0 3 359.857 2.459 20 30 FEEDHN C#CCN(C(=O)c1sc(Br)nc1C)C1CCN(C)CC1 ZINC000886575896 688278949 /nfs/dbraw/zinc/27/89/49/688278949.db2.gz OMHUKMHERSUARV-UHFFFAOYSA-N 0 3 356.289 2.384 20 30 FEEDHN CCC1(N2CCC2)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000886710809 688294562 /nfs/dbraw/zinc/29/45/62/688294562.db2.gz GOSAUWWLKJFGLC-UHFFFAOYSA-N 0 3 361.511 2.282 20 30 FEEDHN CCN1CCN(c2ccc(C(=O)NCc3nc(C#N)cs3)cc2)CC1 ZINC000887982296 688530532 /nfs/dbraw/zinc/53/05/32/688530532.db2.gz ZYOXDPQCZGZDMJ-UHFFFAOYSA-N 0 3 355.467 2.087 20 30 FEEDHN C#C[C@H](NC1CCN(CC(=O)OC)CC1)c1ccc(Br)cc1 ZINC000894872187 689612340 /nfs/dbraw/zinc/61/23/40/689612340.db2.gz ZJXAKYYZRHYEJM-INIZCTEOSA-N 0 3 365.271 2.350 20 30 FEEDHN C[C@@](O)(CNCc1cnn(CC(F)(F)F)c1)C(F)(F)C(F)(F)F ZINC000905167883 691075833 /nfs/dbraw/zinc/07/58/33/691075833.db2.gz WLNLFEASUNMIOH-MRVPVSSYSA-N 0 3 355.229 2.484 20 30 FEEDHN CCNCc1ccn(Cc2cn(Cc3cc(Cl)cc(C#N)c3)nn2)n1 ZINC000905840445 691180360 /nfs/dbraw/zinc/18/03/60/691180360.db2.gz WRHXJIFLUSEISO-UHFFFAOYSA-N 0 3 355.833 2.206 20 30 FEEDHN N#Cc1cnc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870886 721052694 /nfs/dbraw/zinc/05/26/94/721052694.db2.gz WZQQWQAZUBVRGX-IRXDYDNUSA-N 0 3 369.856 2.481 20 30 FEEDHN Cc1nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)ccc1CC#N ZINC001164769274 721210210 /nfs/dbraw/zinc/21/02/10/721210210.db2.gz LWTLEDPGGRLTCL-RTBURBONSA-N 0 3 350.470 2.148 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 ZINC000076218603 542246342 /nfs/dbraw/zinc/24/63/42/542246342.db2.gz SNWYTEDLZIMHNI-NSHDSACASA-N 0 3 352.387 2.086 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1nc(-c2cccs2)oc1C ZINC000076218263 542246421 /nfs/dbraw/zinc/24/64/21/542246421.db2.gz BQCOSMZPGFQFAN-NSHDSACASA-N 0 3 354.453 2.317 20 30 FEEDHN CC(C)N(C)C(=O)C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000030273604 539876986 /nfs/dbraw/zinc/87/69/86/539876986.db2.gz FSMYUSQVABZNLV-UHFFFAOYSA-N 0 3 356.470 2.466 20 30 FEEDHN N#Cc1c(F)cccc1N1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000031106279 539898346 /nfs/dbraw/zinc/89/83/46/539898346.db2.gz ZBHQXAFZMKGWAK-UHFFFAOYSA-N 0 3 371.460 2.156 20 30 FEEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)CN1CCCCC1 ZINC000032664450 539946950 /nfs/dbraw/zinc/94/69/50/539946950.db2.gz UXVILBBZGKLKAY-CQSZACIVSA-N 0 3 368.485 2.141 20 30 FEEDHN Cc1sc(NC(=O)CN[C@H](C2CC2)[C@@]2(CO)CCCO2)c(C#N)c1C ZINC000550141617 674083371 /nfs/dbraw/zinc/08/33/71/674083371.db2.gz ZVPGUIHFCVUERJ-AEFFLSMTSA-N 0 3 363.483 2.085 20 30 FEEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1 ZINC000041518904 540023696 /nfs/dbraw/zinc/02/36/96/540023696.db2.gz GURIQELKUPYMOF-CYBMUJFWSA-N 0 3 361.448 2.264 20 30 FEEDHN CC(C)N(C)C(=O)C1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000047926882 540335050 /nfs/dbraw/zinc/33/50/50/540335050.db2.gz WFNDEVIOGYNCFZ-LJQANCHMSA-N 0 3 373.497 2.071 20 30 FEEDHN C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCCC[C@@H]1C ZINC000050112096 540400355 /nfs/dbraw/zinc/40/03/55/540400355.db2.gz GXZNYTIURGSWGM-IRXDYDNUSA-N 0 3 370.501 2.048 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCN(CC(C)C)CC2)c(OC)c1 ZINC000053420185 540533586 /nfs/dbraw/zinc/53/35/86/540533586.db2.gz NPIHCJCDGCDNGH-IBGZPJMESA-N 0 3 362.514 2.437 20 30 FEEDHN C#CCN1CCC(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000057176779 540776307 /nfs/dbraw/zinc/77/63/07/540776307.db2.gz CDRYTTLAROFNFW-UHFFFAOYSA-N 0 3 357.473 2.252 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000057126631 540769936 /nfs/dbraw/zinc/76/99/36/540769936.db2.gz GIFLXFYENLQIHT-OAQYLSRUSA-N 0 3 369.509 2.294 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000057677075 540807274 /nfs/dbraw/zinc/80/72/74/540807274.db2.gz ZLKRVZVRZIILBH-CQSZACIVSA-N 0 3 356.470 2.432 20 30 FEEDHN CN1CCN(CCCNC(=O)N2CCC(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000060990289 541124140 /nfs/dbraw/zinc/12/41/40/541124140.db2.gz DOMALSJYAYXFFN-HXUWFJFHSA-N 0 3 369.513 2.310 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000068904194 541639277 /nfs/dbraw/zinc/63/92/77/541639277.db2.gz CPBYGSFZBFOPRB-UHFFFAOYSA-N 0 3 358.486 2.177 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000068904194 541639281 /nfs/dbraw/zinc/63/92/81/541639281.db2.gz CPBYGSFZBFOPRB-UHFFFAOYSA-N 0 3 358.486 2.177 20 30 FEEDHN CN1CCN(CCCCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000069216121 541668466 /nfs/dbraw/zinc/66/84/66/541668466.db2.gz HOACKBRODSCKRZ-UHFFFAOYSA-N 0 3 360.506 2.264 20 30 FEEDHN C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)N(C)C1CC1 ZINC000069440490 541687152 /nfs/dbraw/zinc/68/71/52/541687152.db2.gz RCKACKRYFWHKCI-GOEBONIOSA-N 0 3 373.476 2.448 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000076525966 542289137 /nfs/dbraw/zinc/28/91/37/542289137.db2.gz JXANQOOTDVZJGD-UHFFFAOYSA-N 0 3 351.834 2.054 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000076593086 542298599 /nfs/dbraw/zinc/29/85/99/542298599.db2.gz HAQQEAPCTYRFCO-CRAIPNDOSA-N 0 3 361.511 2.424 20 30 FEEDHN N#Cc1c(NC(=O)CCN2CCC(C(N)=O)CC2)sc2c1CCCCC2 ZINC000021323999 220356496 /nfs/dbraw/zinc/35/64/96/220356496.db2.gz KGMRFMZSHGFFAN-UHFFFAOYSA-N 0 3 374.510 2.415 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CNc1ccccc1CN1CCC(CO)CC1 ZINC000088532744 542752733 /nfs/dbraw/zinc/75/27/33/542752733.db2.gz PAOQQBCBGITLMH-KRWDZBQOSA-N 0 3 372.513 2.311 20 30 FEEDHN N#CCOc1cccc(CC(=O)Nc2cnn(CCN3CCCCC3)c2)c1 ZINC000093081812 542908215 /nfs/dbraw/zinc/90/82/15/542908215.db2.gz GZBOZHSIOLMZCL-UHFFFAOYSA-N 0 3 367.453 2.453 20 30 FEEDHN COC(=O)C(C)(C)[C@@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000093298061 542924437 /nfs/dbraw/zinc/92/44/37/542924437.db2.gz QAGGLGCUMHEFPK-MSOLQXFVSA-N 0 3 374.481 2.404 20 30 FEEDHN C=CC1CCN(Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CC1 ZINC000093359275 542928876 /nfs/dbraw/zinc/92/88/76/542928876.db2.gz REVBOSDHIOXVIF-UHFFFAOYSA-N 0 3 374.481 2.331 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCc2cccc(C(=O)OC)c2)CC1 ZINC000093792279 542940541 /nfs/dbraw/zinc/94/05/41/542940541.db2.gz QEZWJYCMXLQVAG-UHFFFAOYSA-N 0 3 359.470 2.355 20 30 FEEDHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000105752581 543182136 /nfs/dbraw/zinc/18/21/36/543182136.db2.gz ZNQXGLYRWPYOKS-UHFFFAOYSA-N 0 3 354.385 2.014 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000106038006 543186145 /nfs/dbraw/zinc/18/61/45/543186145.db2.gz XKWNMJXXKNZFJD-INIZCTEOSA-N 0 3 371.481 2.347 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CC1 ZINC000106039073 543186789 /nfs/dbraw/zinc/18/67/89/543186789.db2.gz MXLXYUPAEBGHFN-FQEVSTJZSA-N 0 3 373.497 2.419 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCC(=O)N2CCCCCC2)CC1 ZINC000106268383 543221378 /nfs/dbraw/zinc/22/13/78/543221378.db2.gz DMDIPRPBBDHEED-UHFFFAOYSA-N 0 3 350.507 2.119 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2OC)CC1 ZINC000106348895 543224664 /nfs/dbraw/zinc/22/46/64/543224664.db2.gz JNHLSZNYOMDRCN-UHFFFAOYSA-N 0 3 365.861 2.444 20 30 FEEDHN CC(C)[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)N(C)C ZINC000106913688 543255569 /nfs/dbraw/zinc/25/55/69/543255569.db2.gz HUCBFBBHHAKZPV-IBGZPJMESA-N 0 3 365.481 2.341 20 30 FEEDHN CN(C)CCOc1ccccc1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000110671724 543364837 /nfs/dbraw/zinc/36/48/37/543364837.db2.gz SQHVJYIICRKYMF-UHFFFAOYSA-N 0 3 367.449 2.388 20 30 FEEDHN CCOc1ccc(C2(CN[C@H](C)C(=O)N(C)CCC#N)CCOCC2)cc1 ZINC000112535178 543451000 /nfs/dbraw/zinc/45/10/00/543451000.db2.gz LTLONLWVYXQSSI-QGZVFWFLSA-N 0 3 373.497 2.484 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1sccc1-n1cnnn1)C(C)C ZINC000112919798 543468802 /nfs/dbraw/zinc/46/88/02/543468802.db2.gz PBGYYIQVSFIEGS-OAHLLOKOSA-N 0 3 360.487 2.152 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2cncn2)c1 ZINC000115336842 543560761 /nfs/dbraw/zinc/56/07/61/543560761.db2.gz DLZCLWWYSIWSKO-UHFFFAOYSA-N 0 3 374.448 2.343 20 30 FEEDHN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000117076069 543623088 /nfs/dbraw/zinc/62/30/88/543623088.db2.gz RLONXUIQBQFNBA-MRXNPFEDSA-N 0 3 358.486 2.156 20 30 FEEDHN C#CCSCCNC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000121514637 543695556 /nfs/dbraw/zinc/69/55/56/543695556.db2.gz WSAILWWFPZIPEU-UHFFFAOYSA-N 0 3 360.527 2.096 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000123819215 543784743 /nfs/dbraw/zinc/78/47/43/543784743.db2.gz RYFFCMVPFLEJAA-UHFFFAOYSA-N 0 3 350.532 2.472 20 30 FEEDHN N#Cc1ccc2ncc(CNC[C@H](c3ccccc3)N3CCOCC3)n2c1 ZINC000123216521 543749588 /nfs/dbraw/zinc/74/95/88/543749588.db2.gz WOAHMQASRXUKAM-HXUWFJFHSA-N 0 3 361.449 2.369 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C)CCC[C@@H]3C)CC2)o1 ZINC000125440006 543882251 /nfs/dbraw/zinc/88/22/51/543882251.db2.gz TVBUDMAUFQQEBP-GJZGRUSLSA-N 0 3 359.474 2.014 20 30 FEEDHN C=CCCOCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000127231191 543979872 /nfs/dbraw/zinc/97/98/72/543979872.db2.gz BICPRBPVYWGXEB-CALCHBBNSA-N 0 3 353.507 2.110 20 30 FEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@@H]21 ZINC000126880792 543961576 /nfs/dbraw/zinc/96/15/76/543961576.db2.gz ZHNXUOFSMDFREK-DOMZBBRYSA-N 0 3 353.875 2.316 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000128482958 544055288 /nfs/dbraw/zinc/05/52/88/544055288.db2.gz NJZYBGZRKQVHFQ-UHFFFAOYSA-N 0 3 370.497 2.356 20 30 FEEDHN CC(C)(O)CN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000129952542 544132736 /nfs/dbraw/zinc/13/27/36/544132736.db2.gz IOVHXANGGDXUAI-UHFFFAOYSA-N 0 3 367.497 2.352 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1c1nncn1C)C(C)C ZINC000130077706 544138076 /nfs/dbraw/zinc/13/80/76/544138076.db2.gz CXOCIXTYAUYOMU-DLBZAZTESA-N 0 3 360.506 2.360 20 30 FEEDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000131018940 544173954 /nfs/dbraw/zinc/17/39/54/544173954.db2.gz SWCFNCQDXMKXKF-RRQGHBQHSA-N 0 3 360.433 2.095 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(C)C ZINC000133047550 544253989 /nfs/dbraw/zinc/25/39/89/544253989.db2.gz FOTFZSLAOLALMU-SFHVURJKSA-N 0 3 356.470 2.295 20 30 FEEDHN N#CC1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCC1 ZINC000134632305 544316213 /nfs/dbraw/zinc/31/62/13/544316213.db2.gz ZDEWZSYIEPSMPM-UHFFFAOYSA-N 0 3 354.498 2.394 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000135112482 544334846 /nfs/dbraw/zinc/33/48/46/544334846.db2.gz JDVBYWBEOWXNCV-HNNXBMFYSA-N 0 3 351.491 2.400 20 30 FEEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CC[C@@H](O)C2)c1C#N ZINC000152671302 544681316 /nfs/dbraw/zinc/68/13/16/544681316.db2.gz GGOCFFARWXUFMJ-OAHLLOKOSA-N 0 3 356.426 2.013 20 30 FEEDHN N#Cc1cccc(NC(=O)CCN2CCC(N3CCCCC3=O)CC2)c1 ZINC000153269180 544753941 /nfs/dbraw/zinc/75/39/41/544753941.db2.gz YCCRLQVSFFOTPQ-UHFFFAOYSA-N 0 3 354.454 2.364 20 30 FEEDHN CCN(Cc1ccccc1)C(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153275474 544755130 /nfs/dbraw/zinc/75/51/30/544755130.db2.gz YECGJFVYXPMPHC-HNNXBMFYSA-N 0 3 368.485 2.165 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000184606579 327875270 /nfs/dbraw/zinc/87/52/70/327875270.db2.gz OJIAMKVAYJKDBQ-MRXNPFEDSA-N 0 3 358.442 2.285 20 30 FEEDHN CN(C)CCn1c2cc(NC(=O)c3cccc(F)c3C#N)ccc2oc1=O ZINC000187274230 328012461 /nfs/dbraw/zinc/01/24/61/328012461.db2.gz AFBWGKYKHDIVRL-UHFFFAOYSA-N 0 3 368.368 2.419 20 30 FEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1 ZINC000188071982 328063957 /nfs/dbraw/zinc/06/39/57/328063957.db2.gz VEASYUXSJKCQJL-LJQANCHMSA-N 0 3 355.463 2.329 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188210870 328073506 /nfs/dbraw/zinc/07/35/06/328073506.db2.gz AUHIMNVFZFFVKX-UHFFFAOYSA-N 0 3 372.469 2.227 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000191253832 328256667 /nfs/dbraw/zinc/25/66/67/328256667.db2.gz FWNMKYLKVLTHIF-FZKQIMNGSA-N 0 3 368.412 2.443 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000088775437 325300771 /nfs/dbraw/zinc/30/07/71/325300771.db2.gz LUXUNRBDDICOIR-CYBMUJFWSA-N 0 3 360.845 2.283 20 30 FEEDHN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089943753 325344292 /nfs/dbraw/zinc/34/42/92/325344292.db2.gz HYRLHNBHBFHNLP-HUUCEWRRSA-N 0 3 368.485 2.302 20 30 FEEDHN CCN1CCC(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092148966 325403609 /nfs/dbraw/zinc/40/36/09/325403609.db2.gz AEPGANSVAPAGAZ-UHFFFAOYSA-N 0 3 371.485 2.427 20 30 FEEDHN C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N1CCC[C@H](C)C1 ZINC000120735283 326283630 /nfs/dbraw/zinc/28/36/30/326283630.db2.gz CRNOYSXDZMFKNC-KBPBESRZSA-N 0 3 353.463 2.237 20 30 FEEDHN CN1CCC(Oc2ccc(NC(=O)COc3ccc(C#N)cc3)cn2)CC1 ZINC000153080128 326723430 /nfs/dbraw/zinc/72/34/30/326723430.db2.gz RCSYPWJHUKHMOG-UHFFFAOYSA-N 0 3 366.421 2.444 20 30 FEEDHN CC[C@@H]1CCCCN1CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000162776177 327034470 /nfs/dbraw/zinc/03/44/70/327034470.db2.gz CQOMEOSUYZLWDV-MRXNPFEDSA-N 0 3 353.463 2.381 20 30 FEEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000162784790 327034614 /nfs/dbraw/zinc/03/46/14/327034614.db2.gz GGURCXQUISFJAM-UHFFFAOYSA-N 0 3 350.850 2.196 20 30 FEEDHN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)Cc1ccccc1 ZINC000170660645 327091976 /nfs/dbraw/zinc/09/19/76/327091976.db2.gz OFONFDPGCOGWBV-SFHVURJKSA-N 0 3 372.494 2.185 20 30 FEEDHN Cc1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000171117271 327119263 /nfs/dbraw/zinc/11/92/63/327119263.db2.gz YDLJJEYIUZIMOF-LJQANCHMSA-N 0 3 364.449 2.016 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C=O)cc1 ZINC000171382734 327135890 /nfs/dbraw/zinc/13/58/90/327135890.db2.gz XNPRVFJYGZHYPA-UHFFFAOYSA-N 0 3 365.433 2.340 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(CO)c1 ZINC000171711931 327157004 /nfs/dbraw/zinc/15/70/04/327157004.db2.gz XHGQBXYMYSXJBB-UHFFFAOYSA-N 0 3 366.465 2.324 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(OCCN(C)C)c1 ZINC000172673263 327214237 /nfs/dbraw/zinc/21/42/37/327214237.db2.gz WHONQKIRRLVUBU-UHFFFAOYSA-N 0 3 373.478 2.286 20 30 FEEDHN CN(C)CCn1ccc(NC(=O)NCCSCc2ccccc2C#N)n1 ZINC000173914451 327293937 /nfs/dbraw/zinc/29/39/37/327293937.db2.gz FXSFVFDJPNCGSL-UHFFFAOYSA-N 0 3 372.498 2.371 20 30 FEEDHN CN(C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000174854135 327355247 /nfs/dbraw/zinc/35/52/47/327355247.db2.gz SQTSCSVDGAMBNN-UHFFFAOYSA-N 0 3 370.384 2.106 20 30 FEEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000176045935 327430386 /nfs/dbraw/zinc/43/03/86/327430386.db2.gz DXIHJBMTQDUZJU-UHFFFAOYSA-N 0 3 350.422 2.183 20 30 FEEDHN CC[C@@](C)(NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(N)=O ZINC000177136392 327500538 /nfs/dbraw/zinc/50/05/38/327500538.db2.gz NBISQELXOYQUJF-GOSISDBHSA-N 0 3 362.499 2.461 20 30 FEEDHN N#Cc1cccc(C2(NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000271747278 329721287 /nfs/dbraw/zinc/72/12/87/329721287.db2.gz DVOLEHPFHPYIHR-QGZVFWFLSA-N 0 3 353.378 2.485 20 30 FEEDHN CC(C)OC(=O)CCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000274223406 329927981 /nfs/dbraw/zinc/92/79/81/329927981.db2.gz QGCVVQNAQGPMJC-UHFFFAOYSA-N 0 3 374.485 2.363 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000275888511 330100335 /nfs/dbraw/zinc/10/03/35/330100335.db2.gz PKXFWLSJZJTLMQ-GFCCVEGCSA-N 0 3 362.861 2.339 20 30 FEEDHN C[C@H](OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1nccn1C ZINC000805852746 674357674 /nfs/dbraw/zinc/35/76/74/674357674.db2.gz AZWDSRFENXAJNF-SMDDNHRTSA-N 0 3 360.801 2.499 20 30 FEEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000157464294 545745290 /nfs/dbraw/zinc/74/52/90/545745290.db2.gz BVBASTRYZMOQTC-UHFFFAOYSA-N 0 3 350.422 2.459 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000478437261 561166723 /nfs/dbraw/zinc/16/67/23/561166723.db2.gz HUBRFBJXZYITBK-UHFFFAOYSA-N 0 3 368.462 2.403 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)cc1C#N ZINC000160178449 546014886 /nfs/dbraw/zinc/01/48/86/546014886.db2.gz DXIRAVPWIYBYJO-OAHLLOKOSA-N 0 3 372.469 2.275 20 30 FEEDHN C[C@H]1CCCCN1CCCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000160212262 546017984 /nfs/dbraw/zinc/01/79/84/546017984.db2.gz OKYVSTYGTDFVPG-AWEZNQCLSA-N 0 3 353.463 2.381 20 30 FEEDHN C=CCN(CCOC)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000478786437 561174752 /nfs/dbraw/zinc/17/47/52/561174752.db2.gz JCOIHFRBDDJGFG-HXUWFJFHSA-N 0 3 374.529 2.209 20 30 FEEDHN CN(C)Cc1cccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000164227948 546148671 /nfs/dbraw/zinc/14/86/71/546148671.db2.gz ZSFRJOCGHGCLQH-UHFFFAOYSA-N 0 3 354.410 2.222 20 30 FEEDHN C=CCSCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171258350 546200343 /nfs/dbraw/zinc/20/03/43/546200343.db2.gz NJSPFJGXCYOXKS-IYBDPMFKSA-N 0 3 355.548 2.436 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)NCCCC)CC2)CC1 ZINC000171607079 546215667 /nfs/dbraw/zinc/21/56/67/546215667.db2.gz VMGNDVLSZWMZAE-UHFFFAOYSA-N 0 3 364.534 2.365 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CSCN2C(=O)/C(C)=C/CC)CC1 ZINC000171728280 546221483 /nfs/dbraw/zinc/22/14/83/546221483.db2.gz JYMBUCNPAZXOGU-CVDFKLHSSA-N 0 3 365.543 2.401 20 30 FEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C(=O)NCCCC)CC[C@H]2C)CC1 ZINC000171741982 546222931 /nfs/dbraw/zinc/22/29/31/546222931.db2.gz APVIWSJFTAGBLW-SJORKVTESA-N 0 3 364.534 2.363 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cccc(-n3nnnc3SC)c2)CC1 ZINC000171740305 546223040 /nfs/dbraw/zinc/22/30/40/546223040.db2.gz CSGKSPAQSXXEOO-UHFFFAOYSA-N 0 3 373.486 2.156 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccccc2CSc2nc[nH]n2)CC1 ZINC000172349798 546249083 /nfs/dbraw/zinc/24/90/83/546249083.db2.gz HVJPWNJTVTWNSP-UHFFFAOYSA-N 0 3 357.483 2.477 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000172384216 546251043 /nfs/dbraw/zinc/25/10/43/546251043.db2.gz QOIOTCAYYSNBHT-UHFFFAOYSA-N 0 3 369.469 2.310 20 30 FEEDHN N#CCOc1ccc(/C=C/C(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000172462989 546253731 /nfs/dbraw/zinc/25/37/31/546253731.db2.gz TZDMJHVZJZNJHM-ZZXKWVIFSA-N 0 3 369.465 2.173 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(CCSC)cc2)CC1 ZINC000173274677 546276934 /nfs/dbraw/zinc/27/69/34/546276934.db2.gz VOPIKBPMKAGJFE-UHFFFAOYSA-N 0 3 361.511 2.297 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177064421 546536751 /nfs/dbraw/zinc/53/67/51/546536751.db2.gz BBIYEVSACCACPG-ZBFHGGJFSA-N 0 3 357.454 2.467 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(C)CCCO2)cc1 ZINC000480966604 561221564 /nfs/dbraw/zinc/22/15/64/561221564.db2.gz CSGQNRJRICMKGI-LRDDRELGSA-N 0 3 351.428 2.063 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)C3(C#N)CCOCC3)CC2)C[C@@H](C)O1 ZINC000178240050 546762094 /nfs/dbraw/zinc/76/20/94/546762094.db2.gz MXIFZDRNKCAOBH-IAGOWNOFSA-N 0 3 363.502 2.045 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481497324 561234129 /nfs/dbraw/zinc/23/41/29/561234129.db2.gz WIUDJKKGGGWBRX-MRXNPFEDSA-N 0 3 365.495 2.226 20 30 FEEDHN C=CCOC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)OC ZINC000481779715 561241946 /nfs/dbraw/zinc/24/19/46/561241946.db2.gz NDIAPVNPXKJNAP-GOSISDBHSA-N 0 3 360.454 2.147 20 30 FEEDHN CNC(=O)C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000179821744 547017150 /nfs/dbraw/zinc/01/71/50/547017150.db2.gz WYSIUQNMLJARKN-UHFFFAOYSA-N 0 3 351.454 2.422 20 30 FEEDHN C=CCNC(=O)CN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000180027774 547041123 /nfs/dbraw/zinc/04/11/23/547041123.db2.gz YVWOZRRQBGTYDR-NSHDSACASA-N 0 3 354.248 2.058 20 30 FEEDHN C=CCNC(=O)CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000180212129 547067674 /nfs/dbraw/zinc/06/76/74/547067674.db2.gz VWTYCSZADDETAZ-OAHLLOKOSA-N 0 3 364.515 2.123 20 30 FEEDHN COc1cnccc1N1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000483233546 561271359 /nfs/dbraw/zinc/27/13/59/561271359.db2.gz UFOYINMKWFMLNA-UHFFFAOYSA-N 0 3 368.437 2.171 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000181781870 547379125 /nfs/dbraw/zinc/37/91/25/547379125.db2.gz LJABFASBTLDCHA-UHFFFAOYSA-N 0 3 367.453 2.172 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 ZINC000181880822 547397423 /nfs/dbraw/zinc/39/74/23/547397423.db2.gz QNWMNJMVCDUNDO-UHFFFAOYSA-N 0 3 372.469 2.483 20 30 FEEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182043253 547427143 /nfs/dbraw/zinc/42/71/43/547427143.db2.gz GCYGEUOGVWZWFZ-DNVCBOLYSA-N 0 3 363.421 2.229 20 30 FEEDHN CC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000182355533 547478652 /nfs/dbraw/zinc/47/86/52/547478652.db2.gz MOAGXIFEOUIKKY-IRXDYDNUSA-N 0 3 353.426 2.230 20 30 FEEDHN COC[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000183457352 547663824 /nfs/dbraw/zinc/66/38/24/547663824.db2.gz KHWXAFYUWZVTAA-MRXNPFEDSA-N 0 3 354.372 2.188 20 30 FEEDHN C=CCc1cc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)cc(OC)c1O ZINC000484754958 561305413 /nfs/dbraw/zinc/30/54/13/561305413.db2.gz SGCAEFSGZJSWDI-LJQANCHMSA-N 0 3 351.443 2.312 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184328836 547807531 /nfs/dbraw/zinc/80/75/31/547807531.db2.gz NABUWOTYGRSEFG-YLJYHZDGSA-N 0 3 372.513 2.104 20 30 FEEDHN C=CCC[C@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000185476468 547990025 /nfs/dbraw/zinc/99/00/25/547990025.db2.gz BNYNHAOWLAPNCM-INIZCTEOSA-N 0 3 351.516 2.067 20 30 FEEDHN C[C@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000485699973 561326149 /nfs/dbraw/zinc/32/61/49/561326149.db2.gz XYQZTDLKYKOHQU-FXAWDEMLSA-N 0 3 366.509 2.074 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C)(C(C)C)CC3)CC2)o1 ZINC000186202290 548098407 /nfs/dbraw/zinc/09/84/07/548098407.db2.gz KLGUFXZKRKECFO-UHFFFAOYSA-N 0 3 373.501 2.261 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000188074857 548270123 /nfs/dbraw/zinc/27/01/23/548270123.db2.gz HGPBETBSIIWMLK-GOSISDBHSA-N 0 3 370.497 2.332 20 30 FEEDHN CC(C)NC(=O)CCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000486221915 561341430 /nfs/dbraw/zinc/34/14/30/561341430.db2.gz YCRQPUZITMANPD-UHFFFAOYSA-N 0 3 358.486 2.143 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cnn(C3CCCC3)c2C)CC1 ZINC000193364509 548386213 /nfs/dbraw/zinc/38/62/13/548386213.db2.gz OGGSXPWSAGHBNC-UHFFFAOYSA-N 0 3 359.474 2.012 20 30 FEEDHN N#Cc1ccc(OCCCN2CCC(c3ccnn3CCO)CC2)cc1 ZINC000195509685 548653933 /nfs/dbraw/zinc/65/39/33/548653933.db2.gz DQPSKOTYGZSROT-UHFFFAOYSA-N 0 3 354.454 2.396 20 30 FEEDHN C=CCOc1ccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000487090036 561363439 /nfs/dbraw/zinc/36/34/39/561363439.db2.gz FAWCSJZCFQCUBX-YLJYHZDGSA-N 0 3 354.454 2.437 20 30 FEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@H]21 ZINC000247136489 549289260 /nfs/dbraw/zinc/28/92/60/549289260.db2.gz RYXCEFQYGVUDKL-BLLLJJGKSA-N 0 3 353.875 2.316 20 30 FEEDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O ZINC000247190873 549296910 /nfs/dbraw/zinc/29/69/10/549296910.db2.gz ODZQYNWAKVILQX-DLBZAZTESA-N 0 3 354.454 2.138 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)N1CCC[C@H](C)C1 ZINC000248866693 549516663 /nfs/dbraw/zinc/51/66/63/549516663.db2.gz HRRRLWPMNGNYJJ-QWHCGFSZSA-N 0 3 362.861 2.387 20 30 FEEDHN Cc1ncc(S(=O)(=O)NC[C@@H]2CCCCN2CC(C)C)cc1C#N ZINC000489664413 561416490 /nfs/dbraw/zinc/41/64/90/561416490.db2.gz GDIFTVMTDPDIND-INIZCTEOSA-N 0 3 350.488 2.051 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000253358711 549683713 /nfs/dbraw/zinc/68/37/13/549683713.db2.gz RCMSJRODERWVFN-CABCVRRESA-N 0 3 372.469 2.132 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 ZINC000490245535 561429500 /nfs/dbraw/zinc/42/95/00/561429500.db2.gz LPJGFJGDGHAMSU-MSOLQXFVSA-N 0 3 373.497 2.170 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(N3CCNC3=O)c2)CC1 ZINC000490337805 561431267 /nfs/dbraw/zinc/43/12/67/561431267.db2.gz VZRIRFYWKDPAOF-UHFFFAOYSA-N 0 3 357.458 2.297 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000264322542 549994658 /nfs/dbraw/zinc/99/46/58/549994658.db2.gz ARMASIXJPDMRSM-UHFFFAOYSA-N 0 3 359.470 2.422 20 30 FEEDHN C=CCN1CCC(Nc2ncnc3c2c(Br)nn3C)CC1 ZINC000264494216 549996421 /nfs/dbraw/zinc/99/64/21/549996421.db2.gz WVXKWAWBCXYRBI-UHFFFAOYSA-N 0 3 351.252 2.188 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000265134336 550006855 /nfs/dbraw/zinc/00/68/55/550006855.db2.gz LKEZJMVSTNZSFI-FQEVSTJZSA-N 0 3 367.497 2.056 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000265944120 550015677 /nfs/dbraw/zinc/01/56/77/550015677.db2.gz HUBLQEFJYUILBD-HNNXBMFYSA-N 0 3 355.841 2.462 20 30 FEEDHN COc1cc(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1C#N ZINC000491124760 561443237 /nfs/dbraw/zinc/44/32/37/561443237.db2.gz WBTMEYBHUAWJOC-HDMKZQKVSA-N 0 3 356.470 2.439 20 30 FEEDHN C[C@@H](NC(=O)CON=C(N)c1ccc(CN(C)C)cc1)c1ccccc1 ZINC000266991182 550026688 /nfs/dbraw/zinc/02/66/88/550026688.db2.gz BAOUXUCRQVBCQV-OAHLLOKOSA-N 0 3 354.454 2.263 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNC(=O)NCC(C)(C)CCC#N)c1 ZINC000492709449 561452436 /nfs/dbraw/zinc/45/24/36/561452436.db2.gz YLRFHIWKAHHDIW-UHFFFAOYSA-N 0 3 373.501 2.107 20 30 FEEDHN N#CCc1ccc(C(=O)NCCCN2CCN(c3ccncc3)CC2)cc1 ZINC000270229246 550255087 /nfs/dbraw/zinc/25/50/87/550255087.db2.gz AHJFXEPEWIYZBP-UHFFFAOYSA-N 0 3 363.465 2.090 20 30 FEEDHN C[C@@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000272144846 550425278 /nfs/dbraw/zinc/42/52/78/550425278.db2.gz UCHAALCRNWGCOR-MLGOLLRUSA-N 0 3 368.359 2.423 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(OCCN(C)C)c1 ZINC000272654528 550463367 /nfs/dbraw/zinc/46/33/67/550463367.db2.gz HNXJPADSXMLGRJ-UHFFFAOYSA-N 0 3 372.469 2.026 20 30 FEEDHN N#Cc1ccnc(NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000273185062 550488774 /nfs/dbraw/zinc/48/87/74/550488774.db2.gz MEMSQHZUKHYHNM-MRXNPFEDSA-N 0 3 353.382 2.040 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1N1CCCC1 ZINC000274147439 550524973 /nfs/dbraw/zinc/52/49/73/550524973.db2.gz XWVHLENJDBHVTD-HZPDHXFCSA-N 0 3 362.499 2.218 20 30 FEEDHN N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000275697133 550573787 /nfs/dbraw/zinc/57/37/87/550573787.db2.gz KAUYSKAKZGEGEH-KRWDZBQOSA-N 0 3 370.453 2.004 20 30 FEEDHN C[C@@H](NS(=O)(=O)c1cccnc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000277006720 550621157 /nfs/dbraw/zinc/62/11/57/550621157.db2.gz INFYJVBFTMDBBO-NVXWUHKLSA-N 0 3 370.478 2.142 20 30 FEEDHN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)c1 ZINC000278398553 550781388 /nfs/dbraw/zinc/78/13/88/550781388.db2.gz BIDSUHAPKZJYCF-LJQANCHMSA-N 0 3 366.465 2.362 20 30 FEEDHN C=CCn1c(=O)[nH]nc1SC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278686037 550811330 /nfs/dbraw/zinc/81/13/30/550811330.db2.gz ZANPWBRILQPUHJ-MRXNPFEDSA-N 0 3 360.483 2.141 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000278721364 550814751 /nfs/dbraw/zinc/81/47/51/550814751.db2.gz RUCLRTNBTYAKSY-SFHVURJKSA-N 0 3 370.497 2.118 20 30 FEEDHN CN(CCNCc1cn(CCC#N)nc1-c1ccncc1)CC(F)(F)F ZINC000278740407 550816687 /nfs/dbraw/zinc/81/66/87/550816687.db2.gz VKHFWOAOYDUUIO-UHFFFAOYSA-N 0 3 366.391 2.442 20 30 FEEDHN N#CCCn1cc(CN2CCN(CC3CC3)CC2)c(-c2ccncc2)n1 ZINC000279430742 550889217 /nfs/dbraw/zinc/88/92/17/550889217.db2.gz QGNMRLCHHBPLJG-UHFFFAOYSA-N 0 3 350.470 2.386 20 30 FEEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279877522 550938767 /nfs/dbraw/zinc/93/87/67/550938767.db2.gz CHODEQYBHCBMRB-RXQJJGRESA-N 0 3 357.479 2.437 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@H]1N1CCCC1 ZINC000280208227 550971592 /nfs/dbraw/zinc/97/15/92/550971592.db2.gz FTNMYUVZUKCVKT-IPMKNSEASA-N 0 3 368.506 2.279 20 30 FEEDHN Cc1oc(C#N)cc1C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000280680349 551020801 /nfs/dbraw/zinc/02/08/01/551020801.db2.gz QQSIFFKONHVBGP-UHFFFAOYSA-N 0 3 366.465 2.350 20 30 FEEDHN C=CCOc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1OC ZINC000281892599 551154045 /nfs/dbraw/zinc/15/40/45/551154045.db2.gz YIOZVPZESMBNJE-UHFFFAOYSA-N 0 3 361.486 2.016 20 30 FEEDHN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000282141827 551186229 /nfs/dbraw/zinc/18/62/29/551186229.db2.gz BMHXBHKAIOHTGV-SFHVURJKSA-N 0 3 369.517 2.390 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)CC1 ZINC000497483554 561501640 /nfs/dbraw/zinc/50/16/40/561501640.db2.gz RXSUZSDHYPDRSJ-INIZCTEOSA-N 0 3 359.367 2.309 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2c(F)cccc2Cl)CC1 ZINC000283594687 551393576 /nfs/dbraw/zinc/39/35/76/551393576.db2.gz SJYJKAYTJKIMBC-UHFFFAOYSA-N 0 3 367.852 2.252 20 30 FEEDHN Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000283616898 551397519 /nfs/dbraw/zinc/39/75/19/551397519.db2.gz VVVJUTGOWXKOCC-UHFFFAOYSA-N 0 3 366.469 2.330 20 30 FEEDHN C[C@@H]1CN(CC2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)C[C@H](C)O1 ZINC000283722914 551416181 /nfs/dbraw/zinc/41/61/81/551416181.db2.gz GNYSSJXQDYZIPI-OKILXGFUSA-N 0 3 373.457 2.374 20 30 FEEDHN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000283892354 551445238 /nfs/dbraw/zinc/44/52/38/551445238.db2.gz IJCSJPOELZQERV-UHFFFAOYSA-N 0 3 355.482 2.334 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@H](CC)c1ccncc1)C(C)C ZINC000284179636 551499307 /nfs/dbraw/zinc/49/93/07/551499307.db2.gz UWRGCDZORKJKFW-MOPGFXCFSA-N 0 3 372.513 2.464 20 30 FEEDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N ZINC000284288646 551515868 /nfs/dbraw/zinc/51/58/68/551515868.db2.gz NTUSEFOYVFMSCK-VUCTXSBTSA-N 0 3 350.413 2.060 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000284353110 551530957 /nfs/dbraw/zinc/53/09/57/551530957.db2.gz OCFCFMCHZXBGRX-GOSISDBHSA-N 0 3 361.486 2.229 20 30 FEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000284827202 551644618 /nfs/dbraw/zinc/64/46/18/551644618.db2.gz OQTNBZVSGNXJPH-ODZKNYGOSA-N 0 3 357.454 2.137 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)COc2cccc(C)c2)CC1 ZINC000284900341 551662455 /nfs/dbraw/zinc/66/24/55/551662455.db2.gz DIROPQNVISKEAC-QGZVFWFLSA-N 0 3 373.497 2.035 20 30 FEEDHN C[C@H]1CCN(C)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000498711978 561532530 /nfs/dbraw/zinc/53/25/30/561532530.db2.gz WBPOEVGUHAAYQI-KRWDZBQOSA-N 0 3 356.470 2.266 20 30 FEEDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(C#N)cc1 ZINC000285361329 551743949 /nfs/dbraw/zinc/74/39/49/551743949.db2.gz QHTZIIMBMQBKSD-QGZVFWFLSA-N 0 3 355.394 2.381 20 30 FEEDHN CC(C)(C)OC(=O)N1CCc2cccc(CNCCn3cnc(C#N)n3)c21 ZINC000285365452 551744290 /nfs/dbraw/zinc/74/42/90/551744290.db2.gz BUOTZSPPRIZUNH-UHFFFAOYSA-N 0 3 368.441 2.237 20 30 FEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000286034694 551841202 /nfs/dbraw/zinc/84/12/02/551841202.db2.gz BGLRHMWJEVCXPB-JENIJYKNSA-N 0 3 370.472 2.466 20 30 FEEDHN N#CCC[C@H](C#N)CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286072024 551845509 /nfs/dbraw/zinc/84/55/09/551845509.db2.gz RXWFGYUZKQCYPQ-RTWAWAEBSA-N 0 3 351.498 2.322 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000286156962 551855234 /nfs/dbraw/zinc/85/52/34/551855234.db2.gz AXFFLUPONONVCH-MRXNPFEDSA-N 0 3 357.498 2.236 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccccc3C)C2)CC1 ZINC000286351502 551877368 /nfs/dbraw/zinc/87/73/68/551877368.db2.gz BMLJKBPTVZNDKZ-GOSISDBHSA-N 0 3 369.509 2.468 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000286492156 551892175 /nfs/dbraw/zinc/89/21/75/551892175.db2.gz JVNVMSLSZFIJNA-SFHVURJKSA-N 0 3 355.482 2.292 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000286492294 551892372 /nfs/dbraw/zinc/89/23/72/551892372.db2.gz JXVKVPXPJNWVGX-QFIPXVFZSA-N 0 3 369.509 2.333 20 30 FEEDHN CN1CCN(CC2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)CC1 ZINC000286570887 551901191 /nfs/dbraw/zinc/90/11/91/551901191.db2.gz PQMHKCMLPIODHR-UHFFFAOYSA-N 0 3 360.889 2.311 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000286614047 551906280 /nfs/dbraw/zinc/90/62/80/551906280.db2.gz LMCMXRNHFCGUOJ-HNAYVOBHSA-N 0 3 355.482 2.193 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)CC(C)(C)C)cc1 ZINC000287141913 551968522 /nfs/dbraw/zinc/96/85/22/551968522.db2.gz LRIGDZZZCBVPTC-OCCSQVGLSA-N 0 3 367.471 2.291 20 30 FEEDHN CCCN(CCN1CCCC1)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000287148861 551969516 /nfs/dbraw/zinc/96/95/16/551969516.db2.gz GDWJTASKHKZGKQ-UHFFFAOYSA-N 0 3 373.501 2.406 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@H](C)C2)cc1 ZINC000287462000 552007249 /nfs/dbraw/zinc/00/72/49/552007249.db2.gz XPPFCKMUVOXMRK-MBNYWOFBSA-N 0 3 351.428 2.061 20 30 FEEDHN C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000289839188 552387088 /nfs/dbraw/zinc/38/70/88/552387088.db2.gz PADUTILKXYEQAC-OXQOHEQNSA-N 0 3 365.481 2.254 20 30 FEEDHN C=CCn1c(-c2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000290091831 552425956 /nfs/dbraw/zinc/42/59/56/552425956.db2.gz DNLIERNCCCCJSX-MRXNPFEDSA-N 0 3 368.485 2.216 20 30 FEEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000290317557 552459413 /nfs/dbraw/zinc/45/94/13/552459413.db2.gz VEYCMGURXUURHV-QGZVFWFLSA-N 0 3 360.433 2.263 20 30 FEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290323814 552460137 /nfs/dbraw/zinc/46/01/37/552460137.db2.gz VXPBJZFHNUWCED-HZSPNIEDSA-N 0 3 360.433 2.118 20 30 FEEDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCNC2=O)cc1)C(=O)N(C)CCC#N ZINC000291195996 552598606 /nfs/dbraw/zinc/59/86/06/552598606.db2.gz JHRGFHDMWKUGRJ-LSDHHAIUSA-N 0 3 357.458 2.017 20 30 FEEDHN COc1cccc(NC(=O)CCN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292241082 552708020 /nfs/dbraw/zinc/70/80/20/552708020.db2.gz QGBGCXPWJLBDDO-SFHVURJKSA-N 0 3 366.421 2.444 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292246949 552708543 /nfs/dbraw/zinc/70/85/43/552708543.db2.gz JYAGRJKSSBKRPD-SFHVURJKSA-N 0 3 369.469 2.156 20 30 FEEDHN C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCCC[C@H]1C ZINC000501528072 561599752 /nfs/dbraw/zinc/59/97/52/561599752.db2.gz BFERFHSAGXVXBT-IAGOWNOFSA-N 0 3 370.501 2.048 20 30 FEEDHN C=CCC(C)(C)CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000293193919 552797671 /nfs/dbraw/zinc/79/76/71/552797671.db2.gz UJOVYAFPDHUCGK-UHFFFAOYSA-N 0 3 360.502 2.380 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000293270026 552805362 /nfs/dbraw/zinc/80/53/62/552805362.db2.gz FOGFPIPYZMLMBB-UHFFFAOYSA-N 0 3 355.360 2.024 20 30 FEEDHN CN1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)C1 ZINC000293291821 552807917 /nfs/dbraw/zinc/80/79/17/552807917.db2.gz IBILGOCEFOWVIC-GOSISDBHSA-N 0 3 360.845 2.094 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000293304839 552809544 /nfs/dbraw/zinc/80/95/44/552809544.db2.gz HSFLGGXTDYNKPL-UHFFFAOYSA-N 0 3 370.478 2.128 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000293508816 552830847 /nfs/dbraw/zinc/83/08/47/552830847.db2.gz XYZWHUGMXQTESQ-UHFFFAOYSA-N 0 3 369.387 2.191 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@]4(C3)CCCN(C)C4)CC2)o1 ZINC000293832679 552860430 /nfs/dbraw/zinc/86/04/30/552860430.db2.gz BYZOHGOSJQXJGF-HXUWFJFHSA-N 0 3 371.485 2.015 20 30 FEEDHN CCN1CC[C@H]2OCCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)[C@H]2C1 ZINC000293934636 552869333 /nfs/dbraw/zinc/86/93/33/552869333.db2.gz QAOOAHBNSZGYCS-ZWKOTPCHSA-N 0 3 359.445 2.297 20 30 FEEDHN C#CCN(C)CCCNC(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000293985966 552872882 /nfs/dbraw/zinc/87/28/82/552872882.db2.gz NIYABSDOXJEIFM-UHFFFAOYSA-N 0 3 360.483 2.018 20 30 FEEDHN C#CCO[C@@H](C)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000294649955 552923705 /nfs/dbraw/zinc/92/37/05/552923705.db2.gz YJOPBLGSMMRXKD-IBGZPJMESA-N 0 3 357.498 2.052 20 30 FEEDHN CO[C@]1(C)C[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000295093522 552958204 /nfs/dbraw/zinc/95/82/04/552958204.db2.gz AHHNWQDMPUXIBY-OXJNMPFZSA-N 0 3 367.453 2.476 20 30 FEEDHN N#Cc1cnc(NCc2ccccc2CN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000295105941 552959443 /nfs/dbraw/zinc/95/94/43/552959443.db2.gz USJUCGHDMLZWTJ-INIZCTEOSA-N 0 3 353.382 2.040 20 30 FEEDHN COc1ccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1OCCCC#N ZINC000295115680 552960471 /nfs/dbraw/zinc/96/04/71/552960471.db2.gz MLGJWCYUYPAGPW-XLIONFOSSA-N 0 3 359.470 2.283 20 30 FEEDHN CS[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1N(C)C ZINC000295131608 552961707 /nfs/dbraw/zinc/96/17/07/552961707.db2.gz YDRZEVYVKISUQP-KBPBESRZSA-N 0 3 368.300 2.438 20 30 FEEDHN CCO[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C12CCCC2 ZINC000295158799 552964852 /nfs/dbraw/zinc/96/48/52/552964852.db2.gz GJGUQQNRVNXESX-CVEARBPZSA-N 0 3 363.483 2.054 20 30 FEEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCN1CCC(O)CC1 ZINC000296120682 553108168 /nfs/dbraw/zinc/10/81/68/553108168.db2.gz VWEVMWAGYRRRPB-UHFFFAOYSA-N 0 3 350.344 2.392 20 30 FEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000296712946 553201880 /nfs/dbraw/zinc/20/18/80/553201880.db2.gz DMKOEXAAIOCMMP-INIZCTEOSA-N 0 3 360.433 2.263 20 30 FEEDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000298333804 553413448 /nfs/dbraw/zinc/41/34/48/553413448.db2.gz RQLFNDBTCWSPMQ-MOPGFXCFSA-N 0 3 358.438 2.227 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](NCCC(=O)Nc1ccccc1C#N)C(N)=O ZINC000298404873 553421266 /nfs/dbraw/zinc/42/12/66/553421266.db2.gz OUYJVHBDVNLQIU-AUUYWEPGSA-N 0 3 350.422 2.134 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)Sc1nncn1C)C(C)C ZINC000299145765 553521326 /nfs/dbraw/zinc/52/13/26/553521326.db2.gz PSOGAWBQCYMONN-GJZGRUSLSA-N 0 3 351.520 2.111 20 30 FEEDHN CN1CCC[C@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299536498 553577631 /nfs/dbraw/zinc/57/76/31/553577631.db2.gz UZMHACJEHZEFNQ-SFHVURJKSA-N 0 3 369.469 2.013 20 30 FEEDHN Cc1nc2ncnn2c(N2CCCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000301258867 553636247 /nfs/dbraw/zinc/63/62/47/553636247.db2.gz CJDSIBCBMZRBES-UHFFFAOYSA-N 0 3 361.453 2.325 20 30 FEEDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1cn2c(n1)CCCC2 ZINC000328701300 553809270 /nfs/dbraw/zinc/80/92/70/553809270.db2.gz JCAJLXRCUNPEKV-QGZVFWFLSA-N 0 3 354.454 2.291 20 30 FEEDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000328701495 553809294 /nfs/dbraw/zinc/80/92/94/553809294.db2.gz NJEHJTCMQXWAMS-GDBMZVCRSA-N 0 3 351.491 2.091 20 30 FEEDHN CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000328699343 553809319 /nfs/dbraw/zinc/80/93/19/553809319.db2.gz VMYHBPHTWCHGII-MRXNPFEDSA-N 0 3 357.520 2.022 20 30 FEEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000328753763 553816925 /nfs/dbraw/zinc/81/69/25/553816925.db2.gz SHYBTKYQFISWCN-CABCVRRESA-N 0 3 351.491 2.233 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC34CCN(C)CC4)CC2)o1 ZINC000328769466 553819700 /nfs/dbraw/zinc/81/97/00/553819700.db2.gz QQQJSVXGYQTGHJ-UHFFFAOYSA-N 0 3 371.485 2.158 20 30 FEEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCn2ncnc2C1 ZINC000328781398 553821343 /nfs/dbraw/zinc/82/13/43/553821343.db2.gz UTVZMFGRGCBKIK-QGZVFWFLSA-N 0 3 368.485 2.308 20 30 FEEDHN Cc1c(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)[nH]c2c1C(=O)CCC2 ZINC000328800517 553824018 /nfs/dbraw/zinc/82/40/18/553824018.db2.gz YMLIKLIQJQPROJ-CQSZACIVSA-N 0 3 374.485 2.403 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CCN1C ZINC000328821225 553827857 /nfs/dbraw/zinc/82/78/57/553827857.db2.gz FPQBAHGFBQAKDU-NPNMTCQASA-N 0 3 373.501 2.301 20 30 FEEDHN CN1CCO[C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21 ZINC000328927427 553846140 /nfs/dbraw/zinc/84/61/40/553846140.db2.gz XCRUMAZJIIRKTA-CVEARBPZSA-N 0 3 374.510 2.491 20 30 FEEDHN C[C@H](CC(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21)NC(=O)C1CCCCC1 ZINC000328973071 553856300 /nfs/dbraw/zinc/85/63/00/553856300.db2.gz PGDFHBKMKLEXTD-HYVNUMGLSA-N 0 3 351.491 2.233 20 30 FEEDHN CO[C@@H]1C[C@@H](CO)N(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000329030326 553868019 /nfs/dbraw/zinc/86/80/19/553868019.db2.gz WXQLZVYHGHQZDP-DLBZAZTESA-N 0 3 353.507 2.028 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NC1CCN(C2CC2)CC1 ZINC000329056616 553872577 /nfs/dbraw/zinc/87/25/77/553872577.db2.gz SRRAOBGBKAIYGZ-KZNAEPCWSA-N 0 3 351.491 2.043 20 30 FEEDHN COc1ccc2c(c1)OC[C@@H](NC(=O)N1CCCC13CCN(C)CC3)C2 ZINC000329096687 553879409 /nfs/dbraw/zinc/87/94/09/553879409.db2.gz YIBWWRGUEHZCCP-INIZCTEOSA-N 0 3 359.470 2.473 20 30 FEEDHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329096522 553879445 /nfs/dbraw/zinc/87/94/45/553879445.db2.gz BUSKUFPVWHCDCV-TZIWHRDSSA-N 0 3 373.497 2.493 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000329166586 553893579 /nfs/dbraw/zinc/89/35/79/553893579.db2.gz HXDXXTGYLMVDEL-GDBMZVCRSA-N 0 3 354.454 2.397 20 30 FEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329190908 553898975 /nfs/dbraw/zinc/89/89/75/553898975.db2.gz RZJKXHINWOPMPM-JQHSSLGASA-N 0 3 362.518 2.393 20 30 FEEDHN O=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CCN(C2CC2)C1 ZINC000329307263 553922743 /nfs/dbraw/zinc/92/27/43/553922743.db2.gz PMVKPNCZNQIBIL-LBPRGKRZSA-N 0 3 351.834 2.352 20 30 FEEDHN O=C(NCc1ccc(CN2CCCC2=O)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000329317358 553924053 /nfs/dbraw/zinc/92/40/53/553924053.db2.gz SNBWAKYXQDAYKQ-KRWDZBQOSA-N 0 3 356.470 2.049 20 30 FEEDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000329327737 553926021 /nfs/dbraw/zinc/92/60/21/553926021.db2.gz XKNBEPLIUILGJS-HNNXBMFYSA-N 0 3 362.499 2.047 20 30 FEEDHN CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000329383195 553935418 /nfs/dbraw/zinc/93/54/18/553935418.db2.gz OUUWPIPEJGXXQZ-DYESRHJHSA-N 0 3 370.472 2.468 20 30 FEEDHN O=C(NC[C@@H]1CCCCS1(=O)=O)NC1CCN(C2CCCCC2)CC1 ZINC000329629030 553979616 /nfs/dbraw/zinc/97/96/16/553979616.db2.gz HLGGMLCTMIQTLY-KRWDZBQOSA-N 0 3 371.547 2.254 20 30 FEEDHN CN(C)CC1(NC(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)CCC1 ZINC000329629878 553979810 /nfs/dbraw/zinc/97/98/10/553979810.db2.gz QLZFGZDJDZRNKR-UHFFFAOYSA-N 0 3 373.457 2.345 20 30 FEEDHN CC(C)N1CCN(c2cccc(NC(=O)C3(S(C)(=O)=O)CC3)c2)CC1 ZINC000329662147 553984447 /nfs/dbraw/zinc/98/44/47/553984447.db2.gz IYLWLDSGPHCDQR-UHFFFAOYSA-N 0 3 365.499 2.382 20 30 FEEDHN O=C(N[C@H]1CCc2[nH]cnc2C1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000329732243 553996595 /nfs/dbraw/zinc/99/65/95/553996595.db2.gz IRLKFDDCDQIQOD-AWEZNQCLSA-N 0 3 362.437 2.425 20 30 FEEDHN O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000329732243 553996597 /nfs/dbraw/zinc/99/65/97/553996597.db2.gz IRLKFDDCDQIQOD-AWEZNQCLSA-N 0 3 362.437 2.425 20 30 FEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)CC1 ZINC000329737256 553997933 /nfs/dbraw/zinc/99/79/33/553997933.db2.gz LZUCTZHCRIOVMK-VYDXJSESSA-N 0 3 364.490 2.127 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000329775113 554003623 /nfs/dbraw/zinc/00/36/23/554003623.db2.gz MUTXMTLPVFXQFL-OKZBNKHCSA-N 0 3 364.534 2.355 20 30 FEEDHN C[C@H](c1nccs1)N1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000329829074 554013686 /nfs/dbraw/zinc/01/36/86/554013686.db2.gz JOVAWPUWGWAVRZ-RBSFLKMASA-N 0 3 351.520 2.218 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000329892508 554025612 /nfs/dbraw/zinc/02/56/12/554025612.db2.gz AASGGCWAKRABOL-MJGOQNOKSA-N 0 3 374.529 2.124 20 30 FEEDHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@H](C)[C@@H]3CO)c2)CC1 ZINC000329915167 554031232 /nfs/dbraw/zinc/03/12/32/554031232.db2.gz CWVJEWGVZPNJOT-LPHOPBHVSA-N 0 3 360.502 2.467 20 30 FEEDHN CCO[C@@H]1C[C@@H](NC(=O)N2CCCC23CCN(C)CC3)C12CCOCC2 ZINC000329983464 554044007 /nfs/dbraw/zinc/04/40/07/554044007.db2.gz PPAZDWDBANGTND-IAGOWNOFSA-N 0 3 365.518 2.435 20 30 FEEDHN CC(C(=O)NCc1nc(C2CC2)cs1)S(=O)(=O)C1CCOCC1 ZINC000330124773 554068748 /nfs/dbraw/zinc/06/87/48/554068748.db2.gz LOXZKTIAPVLYIR-JTQLQIEISA-N 0 3 358.485 2.459 20 30 FEEDHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@H](C)O1 ZINC000330147262 554073580 /nfs/dbraw/zinc/07/35/80/554073580.db2.gz UAGIIEZLWXBCSM-HDEZJCGLSA-N 0 3 361.490 2.275 20 30 FEEDHN Cc1ccc2ncc(C#N)c(N3CCN(C(=O)[C@H]4CCCN4C)CC3)c2c1 ZINC000330193757 554082565 /nfs/dbraw/zinc/08/25/65/554082565.db2.gz YTFBDTWRRYJCSZ-LJQANCHMSA-N 0 3 363.465 2.158 20 30 FEEDHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1=O ZINC000330223267 554088091 /nfs/dbraw/zinc/08/80/91/554088091.db2.gz AERXTUXHIOOFGE-OQIJWPOYSA-N 0 3 370.497 2.336 20 30 FEEDHN O=C(N[C@H]1CCOC2(CCC2)C1)N1CCN(CC2CCOCC2)CC1 ZINC000330230723 554089241 /nfs/dbraw/zinc/08/92/41/554089241.db2.gz QTAUTBVXMQSBQP-KRWDZBQOSA-N 0 3 351.491 2.046 20 30 FEEDHN C=CCN1C(=O)c2ccc(C(=O)N3C[C@H]4CCCN4C[C@H]3CC)cc2C1=O ZINC000330238675 554090792 /nfs/dbraw/zinc/09/07/92/554090792.db2.gz ZYZAQOPHIGUDJT-HZPDHXFCSA-N 0 3 367.449 2.167 20 30 FEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCCN1CCC(C)CC1 ZINC000330327143 554105869 /nfs/dbraw/zinc/10/58/69/554105869.db2.gz KRPSHPMBBOREAI-WMZOPIPTSA-N 0 3 363.506 2.102 20 30 FEEDHN CN(C)[C@]1(CNC(=O)Nc2cc3c(cc2F)NC(=O)CC3)CCSC1 ZINC000330330553 554106555 /nfs/dbraw/zinc/10/65/55/554106555.db2.gz NLCQZGNMDWKNOR-KRWDZBQOSA-N 0 3 366.462 2.474 20 30 FEEDHN CC(C(=O)NCc1ccc2c(c1)COC2)S(=O)(=O)C1CCOCC1 ZINC000330346998 554109489 /nfs/dbraw/zinc/10/94/89/554109489.db2.gz HGNOMZVALGCPQC-GFCCVEGCSA-N 0 3 353.440 2.156 20 30 FEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000330378703 554113404 /nfs/dbraw/zinc/11/34/04/554113404.db2.gz ROVOLGHFOFBAGD-XHSDSOJGSA-N 0 3 358.552 2.059 20 30 FEEDHN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)N(C)C[C@H](C)C#N)CC1 ZINC000330379118 554113410 /nfs/dbraw/zinc/11/34/10/554113410.db2.gz GMWKIDVAMSKTCN-HZPDHXFCSA-N 0 3 364.515 2.138 20 30 FEEDHN CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)C1 ZINC000330505015 554130697 /nfs/dbraw/zinc/13/06/97/554130697.db2.gz JQHJAVLVJMOGBR-HNNXBMFYSA-N 0 3 353.488 2.162 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(=O)NCCC)C2)CC1 ZINC000330659696 554152075 /nfs/dbraw/zinc/15/20/75/554152075.db2.gz RKCXWJBWXLIFMY-MRXNPFEDSA-N 0 3 350.507 2.179 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)C[C@@H]1N(C)C ZINC000330725895 554163790 /nfs/dbraw/zinc/16/37/90/554163790.db2.gz ZTQLTGGMCTXSQH-GJZGRUSLSA-N 0 3 354.451 2.307 20 30 FEEDHN COC(=O)c1cc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cn1C ZINC000330978125 554196406 /nfs/dbraw/zinc/19/64/06/554196406.db2.gz UMHUNWJDFBIGLQ-UHFFFAOYSA-N 0 3 350.463 2.411 20 30 FEEDHN CC(C)NC(=O)NC1(C(=O)N(C)C[C@H]2CCCN(C)C2)CCCCC1 ZINC000331007901 554200611 /nfs/dbraw/zinc/20/06/11/554200611.db2.gz QOYJKNHAGVNWOK-INIZCTEOSA-N 0 3 352.523 2.402 20 30 FEEDHN C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508503111 561763963 /nfs/dbraw/zinc/76/39/63/561763963.db2.gz FCEQTXXLIRSOCP-UHFFFAOYSA-N 0 3 362.522 2.161 20 30 FEEDHN Cc1[nH]nc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1C#N ZINC000508773377 561772238 /nfs/dbraw/zinc/77/22/38/561772238.db2.gz ZPHBZGLLUJABQI-UHFFFAOYSA-N 0 3 352.442 2.131 20 30 FEEDHN CS[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1N(C)C ZINC000331410714 554259687 /nfs/dbraw/zinc/25/96/87/554259687.db2.gz GGKLBZLDUNSFDK-FGTMMUONSA-N 0 3 358.511 2.031 20 30 FEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000331484371 554272707 /nfs/dbraw/zinc/27/27/07/554272707.db2.gz GNYAZJKWWAZIBN-GGPKGHCWSA-N 0 3 353.422 2.037 20 30 FEEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509181782 561788705 /nfs/dbraw/zinc/78/87/05/561788705.db2.gz CYSSTRKHMWTCIS-ZDUSSCGKSA-N 0 3 372.457 2.061 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000331925781 554347233 /nfs/dbraw/zinc/34/72/33/554347233.db2.gz DCMKFOHLZIDKFG-IAGOWNOFSA-N 0 3 370.497 2.318 20 30 FEEDHN CCN1CCC(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000331935753 554348723 /nfs/dbraw/zinc/34/87/23/554348723.db2.gz XAQCQKZTTGNYJV-KRWDZBQOSA-N 0 3 355.486 2.079 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1N1CCCC1 ZINC000332846778 554528946 /nfs/dbraw/zinc/52/89/46/554528946.db2.gz HRXBQHCJKPDYSB-GVDBMIGSSA-N 0 3 364.559 2.229 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)C2)n1 ZINC000333055688 554565755 /nfs/dbraw/zinc/56/57/55/554565755.db2.gz MDUYQCQIKWDSIK-SZMVWBNQSA-N 0 3 367.497 2.220 20 30 FEEDHN C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C1CCN(C)CC1 ZINC000360438803 554875188 /nfs/dbraw/zinc/87/51/88/554875188.db2.gz ZYIQVCQOEGRZKC-KRWDZBQOSA-N 0 3 366.509 2.482 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)CC1 ZINC000361672189 554928464 /nfs/dbraw/zinc/92/84/64/554928464.db2.gz SRHXCFLBTOCQPC-SFHVURJKSA-N 0 3 367.493 2.206 20 30 FEEDHN C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)c1 ZINC000363250080 555063438 /nfs/dbraw/zinc/06/34/38/555063438.db2.gz ISJXMYASEGCKLY-QAPCUYQASA-N 0 3 367.474 2.477 20 30 FEEDHN C#CC[C@H](C)NC(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000363605187 555146079 /nfs/dbraw/zinc/14/60/79/555146079.db2.gz DBZOCSDSOOPKFL-FXAWDEMLSA-N 0 3 357.498 2.485 20 30 FEEDHN CC(C)(C#N)c1ccccc1CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000363759553 555180196 /nfs/dbraw/zinc/18/01/96/555180196.db2.gz NRNKLBOUIJBOJP-HXUWFJFHSA-N 0 3 354.454 2.298 20 30 FEEDHN CO/N=C/c1ccc(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000364544617 555333848 /nfs/dbraw/zinc/33/38/48/555333848.db2.gz LHHYROFJVRJYSL-MEXCJMNJSA-N 0 3 359.470 2.286 20 30 FEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000364553922 555336997 /nfs/dbraw/zinc/33/69/97/555336997.db2.gz CUVMXHFJWVZTGR-GIYDNNGJSA-N 0 3 371.481 2.331 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3F)C2)CC1 ZINC000364738184 555390145 /nfs/dbraw/zinc/39/01/45/555390145.db2.gz TXLTUDIHVFCHCQ-OAHLLOKOSA-N 0 3 359.445 2.254 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@]3(CNC(=O)O3)C2)cc1Cl ZINC000364795533 555405161 /nfs/dbraw/zinc/40/51/61/555405161.db2.gz YNWFYFRKTYLZCK-KRWDZBQOSA-N 0 3 362.817 2.115 20 30 FEEDHN C#CCCN1CCC(NC(=O)c2ccc(OC)c(-c3ccn(C)n3)c2)CC1 ZINC000364904967 555432701 /nfs/dbraw/zinc/43/27/01/555432701.db2.gz LOEZRHMZLWSFSD-UHFFFAOYSA-N 0 3 366.465 2.313 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000365041229 555471472 /nfs/dbraw/zinc/47/14/72/555471472.db2.gz WRCMUGHXIJIZOL-JKSUJKDBSA-N 0 3 370.453 2.003 20 30 FEEDHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365147490 555495567 /nfs/dbraw/zinc/49/55/67/555495567.db2.gz BZDQLUOTVJBANW-MOPGFXCFSA-N 0 3 370.497 2.142 20 30 FEEDHN CC(C)Cc1ccc([C@H](CNC(=O)N2CCO[C@H](C#N)C2)N(C)C)cc1 ZINC000513382250 561936391 /nfs/dbraw/zinc/93/63/91/561936391.db2.gz DVMAMPSZFARZCU-MOPGFXCFSA-N 0 3 358.486 2.422 20 30 FEEDHN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCCCC3)C2)c1 ZINC000365908134 555698254 /nfs/dbraw/zinc/69/82/54/555698254.db2.gz YTMOSKHAJQVSER-GOSISDBHSA-N 0 3 354.454 2.364 20 30 FEEDHN CC(C)(CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)N1CCCCC1 ZINC000366261796 555795528 /nfs/dbraw/zinc/79/55/28/555795528.db2.gz MHBZUOFHPRPOGJ-QGZVFWFLSA-N 0 3 371.485 2.380 20 30 FEEDHN CC(C)(CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)N1CCCCC1 ZINC000366261795 555795583 /nfs/dbraw/zinc/79/55/83/555795583.db2.gz MHBZUOFHPRPOGJ-KRWDZBQOSA-N 0 3 371.485 2.380 20 30 FEEDHN N#CC(CCN1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC000366335698 555814636 /nfs/dbraw/zinc/81/46/36/555814636.db2.gz VEDLIMCRIONORT-WOJBJXKFSA-N 0 3 373.456 2.481 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(-n3cncn3)c2)cc1 ZINC000366343199 555816663 /nfs/dbraw/zinc/81/66/63/555816663.db2.gz ZQEJNZNILUESRE-SFHVURJKSA-N 0 3 356.389 2.138 20 30 FEEDHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)c2ccccc2O1 ZINC000366625229 555894040 /nfs/dbraw/zinc/89/40/40/555894040.db2.gz TUOOERJIWNEHRK-GFCCVEGCSA-N 0 3 363.464 2.138 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000514894127 561985433 /nfs/dbraw/zinc/98/54/33/561985433.db2.gz UWFYWJVLWRIOLT-HUUCEWRRSA-N 0 3 362.522 2.301 20 30 FEEDHN C[C@H](CO)N1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000367826683 556148684 /nfs/dbraw/zinc/14/86/84/556148684.db2.gz PHFUMZVWEYRXOE-LLVKDONJSA-N 0 3 364.371 2.417 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)o1 ZINC000368086388 556214814 /nfs/dbraw/zinc/21/48/14/556214814.db2.gz XBMCINGQQMCYQV-IRXDYDNUSA-N 0 3 371.462 2.294 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000368143174 556229074 /nfs/dbraw/zinc/22/90/74/556229074.db2.gz PWEXPUDLHPUACW-INIZCTEOSA-N 0 3 369.481 2.348 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000369073236 556497799 /nfs/dbraw/zinc/49/77/99/556497799.db2.gz GWOMXWIFBRDCRL-QGZVFWFLSA-N 0 3 362.518 2.071 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3nnc4n3CCC4)CC2)CC1 ZINC000369085557 556501048 /nfs/dbraw/zinc/50/10/48/556501048.db2.gz URRRGIOGQKOGRJ-UHFFFAOYSA-N 0 3 372.517 2.154 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2c3ccccc3CC[C@@H]2CO)cc1 ZINC000369557988 556631048 /nfs/dbraw/zinc/63/10/48/556631048.db2.gz BQGVTYXEBQNBGT-OPYAIIAOSA-N 0 3 352.434 2.184 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000369755754 556686182 /nfs/dbraw/zinc/68/61/82/556686182.db2.gz BANWBUXCODTUCA-HNNXBMFYSA-N 0 3 373.884 2.297 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000369873668 556718246 /nfs/dbraw/zinc/71/82/46/556718246.db2.gz MOEGGCXBTQMTDH-AHRSYUTCSA-N 0 3 370.497 2.289 20 30 FEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@]2(CO)Cc2ccccc2)cc1 ZINC000370008516 556756612 /nfs/dbraw/zinc/75/66/12/556756612.db2.gz ORCHUASERVMXGD-JOCHJYFZSA-N 0 3 363.461 2.244 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1C#N ZINC000370910045 557011511 /nfs/dbraw/zinc/01/15/11/557011511.db2.gz YTFFKVPCQDDSSY-SJORKVTESA-N 0 3 358.442 2.330 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)CC1 ZINC000371393950 557172508 /nfs/dbraw/zinc/17/25/08/557172508.db2.gz VFSCUHRKDOHXPZ-SFHVURJKSA-N 0 3 374.529 2.071 20 30 FEEDHN C=CCN(C(=O)c1ccc(C(N)=O)cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000371590453 557232086 /nfs/dbraw/zinc/23/20/86/557232086.db2.gz NKRMTDIVFNSRFW-SFHVURJKSA-N 0 3 364.449 2.083 20 30 FEEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccc(OCC3CC3)nc2)cc1 ZINC000518169537 562105487 /nfs/dbraw/zinc/10/54/87/562105487.db2.gz XKQNUYOYGJYEFQ-SFHVURJKSA-N 0 3 353.422 2.272 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCCC[C@@H]1CN1CCOCC1 ZINC000371635223 557246719 /nfs/dbraw/zinc/24/67/19/557246719.db2.gz UFUOROLLAGJUSY-GOSISDBHSA-N 0 3 356.470 2.074 20 30 FEEDHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000371706744 557270425 /nfs/dbraw/zinc/27/04/25/557270425.db2.gz KQQDPXWWJFFRCA-OAHLLOKOSA-N 0 3 370.432 2.831 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2nnc(-c3ccc(F)cc3)[nH]2)CC1 ZINC000518023387 562102902 /nfs/dbraw/zinc/10/29/02/562102902.db2.gz OGINQXZVUVFYKP-UHFFFAOYSA-N 0 3 358.421 2.060 20 30 FEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372341415 557444843 /nfs/dbraw/zinc/44/48/43/557444843.db2.gz BSFIYBCRFRYNMZ-ZMYBRWDISA-N 0 3 354.454 2.124 20 30 FEEDHN C=CCN(C(=O)NCCc1cnccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372487060 557483763 /nfs/dbraw/zinc/48/37/63/557483763.db2.gz MKOJTYRDUKWNIL-FQEVSTJZSA-N 0 3 365.481 2.491 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H]4CCCCCC[C@H]43)CC2)o1 ZINC000372585782 557512984 /nfs/dbraw/zinc/51/29/84/557512984.db2.gz JVGFXTKFGRXRBD-FUHWJXTLSA-N 0 3 371.485 2.158 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000373014781 557610177 /nfs/dbraw/zinc/61/01/77/557610177.db2.gz OWYFSRGERNLAGD-MRXNPFEDSA-N 0 3 364.852 2.089 20 30 FEEDHN COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1ccc(C#N)cc1C ZINC000373176677 557644031 /nfs/dbraw/zinc/64/40/31/557644031.db2.gz CIPWVAHPGTTYIH-MRXNPFEDSA-N 0 3 357.435 2.474 20 30 FEEDHN C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000373198145 557648176 /nfs/dbraw/zinc/64/81/76/557648176.db2.gz NHMDQDSZAYKNEM-FXAWDEMLSA-N 0 3 366.509 2.340 20 30 FEEDHN C[C@H]1NCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@@H]1C ZINC000520204344 562150539 /nfs/dbraw/zinc/15/05/39/562150539.db2.gz ANVIPQQQQNMIBS-QBBMROGASA-N 0 3 357.458 2.035 20 30 FEEDHN N#Cc1ncn(C2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000373400067 557687321 /nfs/dbraw/zinc/68/73/21/557687321.db2.gz OCHRNWLUSPZTHH-UHFFFAOYSA-N 0 3 356.386 2.164 20 30 FEEDHN C[C@H]1CCCCN1CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000373700195 557741198 /nfs/dbraw/zinc/74/11/98/557741198.db2.gz LSGCVXREKOXSAT-LPHOPBHVSA-N 0 3 368.481 2.040 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2nc(N(C)C)no2)CC1 ZINC000374700146 557918557 /nfs/dbraw/zinc/91/85/57/557918557.db2.gz CDPRNJIOCLICHV-OAHLLOKOSA-N 0 3 362.478 2.023 20 30 FEEDHN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1)C1=CCN(C)CC1 ZINC000374752076 557925423 /nfs/dbraw/zinc/92/54/23/557925423.db2.gz QXMUQFAGBXFNRX-VQIMIIECSA-N 0 3 367.497 2.477 20 30 FEEDHN C=CCN1CC[C@H](N[C@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)C1=O ZINC000374845481 557939868 /nfs/dbraw/zinc/93/98/68/557939868.db2.gz WNSMRPARZLJESR-SLFFLAALSA-N 0 3 355.482 2.350 20 30 FEEDHN CC(C)N1CCN(CCCN2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000375600198 558054821 /nfs/dbraw/zinc/05/48/21/558054821.db2.gz SMLKFCKMOPHWIW-NRFANRHFSA-N 0 3 356.514 2.348 20 30 FEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000375691579 558068086 /nfs/dbraw/zinc/06/80/86/558068086.db2.gz XFBYDUYSIFWKJW-TZMCWYRMSA-N 0 3 353.875 2.459 20 30 FEEDHN CN1CCC[C@H](N2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)C1 ZINC000375694213 558068737 /nfs/dbraw/zinc/06/87/37/558068737.db2.gz WIDOGODAMUYIBV-UXHICEINSA-N 0 3 354.498 2.312 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1=O ZINC000376128292 558130439 /nfs/dbraw/zinc/13/04/39/558130439.db2.gz DWODPJOXUOCEDB-QRQLOZEOSA-N 0 3 370.497 2.078 20 30 FEEDHN C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CCN1C1CCN(C)CC1 ZINC000376449177 558174783 /nfs/dbraw/zinc/17/47/83/558174783.db2.gz LXXCRUXMXMUGCN-CQSZACIVSA-N 0 3 372.904 2.464 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000376578934 558193189 /nfs/dbraw/zinc/19/31/89/558193189.db2.gz DOESJULNPRESID-JKSUJKDBSA-N 0 3 357.502 2.265 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@]23CCOC3)cc1 ZINC000376629262 558200083 /nfs/dbraw/zinc/20/00/83/558200083.db2.gz NGELGCILFKKCSF-CXAGYDPISA-N 0 3 363.439 2.159 20 30 FEEDHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000376689273 558209051 /nfs/dbraw/zinc/20/90/51/558209051.db2.gz MBBSJULYPAKGKX-OAHLLOKOSA-N 0 3 361.490 2.295 20 30 FEEDHN Cn1ccnc1CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000377268765 558302499 /nfs/dbraw/zinc/30/24/99/558302499.db2.gz UYAGMCQNWSVNSI-LJQANCHMSA-N 0 3 361.449 2.455 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377578681 558369681 /nfs/dbraw/zinc/36/96/81/558369681.db2.gz AJAVVTZMWFFLAZ-CVEARBPZSA-N 0 3 358.442 2.330 20 30 FEEDHN COC(=O)c1cc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)cn1C ZINC000377645313 558385681 /nfs/dbraw/zinc/38/56/81/558385681.db2.gz HZLSNJSRIMRXCV-QGZVFWFLSA-N 0 3 352.438 2.442 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NC(=O)C34CCCN3CCC4)C2)c(F)c1 ZINC000377966603 558454222 /nfs/dbraw/zinc/45/42/22/558454222.db2.gz VEJQJFUWICKHOW-INIZCTEOSA-N 0 3 356.445 2.411 20 30 FEEDHN C=CCCO[C@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000522890147 562205614 /nfs/dbraw/zinc/20/56/14/562205614.db2.gz OKECFUJCTIVSFT-NVXWUHKLSA-N 0 3 359.470 2.304 20 30 FEEDHN Cc1cc(=NC(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)[nH]n1CCC#N ZINC000378513447 558572847 /nfs/dbraw/zinc/57/28/47/558572847.db2.gz SKRYUEMEQIGEBY-RHSMWYFYSA-N 0 3 372.498 2.981 20 30 FEEDHN C[C@H](CC[N-]S(=O)(=O)c1cccnc1C#N)[N@H+](C)Cc1ccccc1 ZINC000379691440 558602441 /nfs/dbraw/zinc/60/24/41/558602441.db2.gz DNJIEWSDUMEYBQ-OAHLLOKOSA-N 0 3 358.467 2.142 20 30 FEEDHN C[C@H](CC[N-]S(=O)(=O)c1cccnc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000379691440 558602444 /nfs/dbraw/zinc/60/24/44/558602444.db2.gz DNJIEWSDUMEYBQ-OAHLLOKOSA-N 0 3 358.467 2.142 20 30 FEEDHN C[C@@H]1CCC[C@@](CNCCS(=O)(=O)c2cccc(C#N)c2)(N(C)C)C1 ZINC000392795325 558618855 /nfs/dbraw/zinc/61/88/55/558618855.db2.gz QPVQEMJPHLALDH-VQIMIIECSA-N 0 3 363.527 2.432 20 30 FEEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411781783 558962055 /nfs/dbraw/zinc/96/20/55/558962055.db2.gz CLQYBHBGYKCYTI-QLFBSQMISA-N 0 3 361.467 2.437 20 30 FEEDHN N#Cc1c(NC(=O)CCN2CC[C@@](O)(C(F)F)C2)sc2c1CCC2 ZINC000411801668 558966027 /nfs/dbraw/zinc/96/60/27/558966027.db2.gz NCRFNAPIMNDJNQ-INIZCTEOSA-N 0 3 355.410 2.139 20 30 FEEDHN C=CCSc1ccccc1NC(=O)CN[C@H](CO)[C@H]1CCCOC1 ZINC000411999219 559000972 /nfs/dbraw/zinc/00/09/72/559000972.db2.gz XBPLMUSRDNTHQX-GOEBONIOSA-N 0 3 350.484 2.280 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)NCC(C)(C)C#N ZINC000413441468 559108054 /nfs/dbraw/zinc/10/80/54/559108054.db2.gz POGZODNCIPTPMR-QZTJIDSGSA-N 0 3 358.486 2.372 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000417691457 559372774 /nfs/dbraw/zinc/37/27/74/559372774.db2.gz WSJABBFQHIOHKE-CVEARBPZSA-N 0 3 363.458 2.491 20 30 FEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Br)[C@@H](C)CN1CCO ZINC000419346356 559438857 /nfs/dbraw/zinc/43/88/57/559438857.db2.gz VBPUCYGUXWZXPK-OLZOCXBDSA-N 0 3 352.276 2.208 20 30 FEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@@H]1CCCN1CCCO ZINC000419604960 559449585 /nfs/dbraw/zinc/44/95/85/559449585.db2.gz CZJHYIPUSGZYEV-PKOBYXMFSA-N 0 3 356.470 2.082 20 30 FEEDHN C=C(C)[C@H](NC(=O)C(=O)N1CCCC[C@H]1CN)c1ccc(F)c(F)c1 ZINC000419674662 559453267 /nfs/dbraw/zinc/45/32/67/559453267.db2.gz JILNVKHGCPCIQY-BBRMVZONSA-N 0 3 351.397 2.038 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@@H](c2ccc(SC)cc2)N(C)C)C1=O ZINC000419966483 559466891 /nfs/dbraw/zinc/46/68/91/559466891.db2.gz LJPGRCVZYMFOII-CVEARBPZSA-N 0 3 363.483 2.134 20 30 FEEDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000420420494 559486849 /nfs/dbraw/zinc/48/68/49/559486849.db2.gz JVIKCGPPBPOWAE-SNVBAGLBSA-N 0 3 360.277 2.117 20 30 FEEDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000421292769 559536466 /nfs/dbraw/zinc/53/64/66/559536466.db2.gz BSXKZWXHQKCTBB-LBPRGKRZSA-N 0 3 362.499 2.408 20 30 FEEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422299241 559576690 /nfs/dbraw/zinc/57/66/90/559576690.db2.gz LZTKSBBIRLYBMJ-MRXNPFEDSA-N 0 3 370.497 2.384 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000422544943 559594094 /nfs/dbraw/zinc/59/40/94/559594094.db2.gz REIZGGCPWOXOGD-PMACEKPBSA-N 0 3 369.509 2.377 20 30 FEEDHN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@@H](N)CCCC#N)O[C@@H](C)C2 ZINC000424135186 559655818 /nfs/dbraw/zinc/65/58/18/559655818.db2.gz JANBBYMSYYGDGF-CSFVBSKPSA-N 0 3 357.454 2.402 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000424141383 559655853 /nfs/dbraw/zinc/65/58/53/559655853.db2.gz UCQLFNKHSKJXHA-HOTGVXAUSA-N 0 3 368.437 2.175 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000424167173 559656495 /nfs/dbraw/zinc/65/64/95/559656495.db2.gz GWSJXHUAYMMENK-GJZGRUSLSA-N 0 3 353.369 2.209 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCNC(=O)CCCc2ccccc2)CC1 ZINC000425447317 559702671 /nfs/dbraw/zinc/70/26/71/559702671.db2.gz GYOMXYBANAZJRJ-UHFFFAOYSA-N 0 3 372.513 2.075 20 30 FEEDHN N#CCCn1ncc(C(=O)NCCNc2ccncc2)c1-c1ccccc1 ZINC000430668858 559826002 /nfs/dbraw/zinc/82/60/02/559826002.db2.gz YKVWQPMKLOYBHO-UHFFFAOYSA-N 0 3 360.421 2.123 20 30 FEEDHN COc1cnccc1N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000432233257 559854592 /nfs/dbraw/zinc/85/45/92/559854592.db2.gz TZFFZTCNGFRKTB-UHFFFAOYSA-N 0 3 355.373 2.455 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000434606765 559903420 /nfs/dbraw/zinc/90/34/20/559903420.db2.gz MTLPDMVTIGTDHX-UHFFFAOYSA-N 0 3 374.485 2.602 20 30 FEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000438334681 559977533 /nfs/dbraw/zinc/97/75/33/559977533.db2.gz MPMRZHSGGLLDLX-DOTOQJQBSA-N 0 3 352.442 2.754 20 30 FEEDHN N#Cc1ccc(CCC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000440518577 560013567 /nfs/dbraw/zinc/01/35/67/560013567.db2.gz JTKUVMDJXYXPDU-QFIPXVFZSA-N 0 3 363.461 2.244 20 30 FEEDHN C=CCN(C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CC1 ZINC000442400611 560050653 /nfs/dbraw/zinc/05/06/53/560050653.db2.gz IZOZZNFHOICWNW-UHFFFAOYSA-N 0 3 373.522 2.393 20 30 FEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](CC(F)(F)F)C(C)C)CC1 ZINC000445904201 560136565 /nfs/dbraw/zinc/13/65/65/560136565.db2.gz OQMVFGYJTPRWBE-GJZGRUSLSA-N 0 3 362.440 2.245 20 30 FEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446386980 560145448 /nfs/dbraw/zinc/14/54/48/560145448.db2.gz UPRMPQSUJSFQJT-RZQQEMMASA-N 0 3 372.469 2.465 20 30 FEEDHN CC(C)[C@H](CO)[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000451597718 560316754 /nfs/dbraw/zinc/31/67/54/560316754.db2.gz NBBHKEBCWHDIPL-ROUUACIJSA-N 0 3 352.500 2.211 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000451677694 560321620 /nfs/dbraw/zinc/32/16/20/560321620.db2.gz HBHMQDAGQGVBDE-MSOLQXFVSA-N 0 3 359.470 2.430 20 30 FEEDHN N#CCc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1 ZINC000453659157 560394191 /nfs/dbraw/zinc/39/41/91/560394191.db2.gz OTCMDTDCWPVBST-GOSISDBHSA-N 0 3 354.454 2.072 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000453943793 560415314 /nfs/dbraw/zinc/41/53/14/560415314.db2.gz JERKZYDGBOUEFZ-MSOLQXFVSA-N 0 3 359.470 2.317 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000454455456 560445177 /nfs/dbraw/zinc/44/51/77/560445177.db2.gz CDGNPVIEHQFREC-QGZVFWFLSA-N 0 3 372.513 2.074 20 30 FEEDHN C=C(CC)CNC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000455521747 560485634 /nfs/dbraw/zinc/48/56/34/560485634.db2.gz LJZOVRGDNJUNPS-UHFFFAOYSA-N 0 3 360.502 2.425 20 30 FEEDHN CN(C)CC(C)(C)NC(=O)COc1cccc(Br)c1C#N ZINC000457245515 560557952 /nfs/dbraw/zinc/55/79/52/560557952.db2.gz RLJDNGRRGVZXLM-UHFFFAOYSA-N 0 3 354.248 2.156 20 30 FEEDHN COc1ccc([C@@H](CO)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000458193257 560607925 /nfs/dbraw/zinc/60/79/25/560607925.db2.gz FKZBCVMPJXCLTR-RTBURBONSA-N 0 3 363.417 2.141 20 30 FEEDHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NCC(C)(C)C#N)CC2)cc1 ZINC000458669149 560639450 /nfs/dbraw/zinc/63/94/50/560639450.db2.gz XIHLTBXBSMFYNG-UHFFFAOYSA-N 0 3 371.485 2.458 20 30 FEEDHN CC(C)(CC#N)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000459257791 560676528 /nfs/dbraw/zinc/67/65/28/560676528.db2.gz KOROTWYWFAFNNR-ZWKOTPCHSA-N 0 3 358.486 2.108 20 30 FEEDHN COc1cnccc1N1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459441610 560686592 /nfs/dbraw/zinc/68/65/92/560686592.db2.gz KXXGOUPWKJXBGK-UHFFFAOYSA-N 0 3 353.382 2.192 20 30 FEEDHN CC[C@@H]1OCC[C@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000459766424 560706888 /nfs/dbraw/zinc/70/68/88/560706888.db2.gz DPPDBPPHGXVQNZ-CVEARBPZSA-N 0 3 354.372 2.330 20 30 FEEDHN CCCN(CCN1CCN(CC)CC1)C(=O)NCc1ccc(C#N)cc1 ZINC000460165339 560736873 /nfs/dbraw/zinc/73/68/73/560736873.db2.gz CIVOLQVSUPEGQM-UHFFFAOYSA-N 0 3 357.502 2.117 20 30 FEEDHN C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000460796507 560752184 /nfs/dbraw/zinc/75/21/84/560752184.db2.gz VJOFLECZLJSORZ-SFHVURJKSA-N 0 3 370.501 2.330 20 30 FEEDHN CN(C)CCN(Cc1ccccn1)C(=O)NCCc1cccc(C#N)c1 ZINC000466825684 560896834 /nfs/dbraw/zinc/89/68/34/560896834.db2.gz YIOVKRPEOSFBFP-UHFFFAOYSA-N 0 3 351.454 2.269 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C ZINC000467155407 560905078 /nfs/dbraw/zinc/90/50/78/560905078.db2.gz OIGPZRUKMXWBAX-YPMHNXCESA-N 0 3 357.426 2.330 20 30 FEEDHN C=CCN1CCC(NC(=O)NCCCc2ccc3c(c2)OCCO3)CC1 ZINC000467957881 560920250 /nfs/dbraw/zinc/92/02/50/560920250.db2.gz ICERHXIGCXDPMN-UHFFFAOYSA-N 0 3 359.470 2.340 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(O)cc1 ZINC000468708280 560936666 /nfs/dbraw/zinc/93/66/66/560936666.db2.gz WRKINPXPNXUPKE-UHFFFAOYSA-N 0 3 353.422 2.233 20 30 FEEDHN COc1ccnc(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000469558509 560958160 /nfs/dbraw/zinc/95/81/60/560958160.db2.gz LUQAISKXRICNBG-UHFFFAOYSA-N 0 3 352.438 2.095 20 30 FEEDHN CN1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000470560637 560984590 /nfs/dbraw/zinc/98/45/90/560984590.db2.gz LQABHOPIUFKJTD-UHFFFAOYSA-N 0 3 369.469 2.485 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ncccc2Cl)cc1 ZINC000471055812 560997118 /nfs/dbraw/zinc/99/71/18/560997118.db2.gz HEYQCBKEODKRQF-OAHLLOKOSA-N 0 3 354.797 2.484 20 30 FEEDHN C=CCc1ccc(OC[C@@H](O)CN2CCN(C)C[C@@H]2C(C)C)c(OC)c1 ZINC000471211255 561000675 /nfs/dbraw/zinc/00/06/75/561000675.db2.gz ILBPLRQUQQWPMM-RBUKOAKNSA-N 0 3 362.514 2.435 20 30 FEEDHN CN(C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000473909287 561060557 /nfs/dbraw/zinc/06/05/57/561060557.db2.gz AJTPEWISKHJPGD-QGZVFWFLSA-N 0 3 353.463 2.486 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCCN(C(C)=O)C1)C(C)C ZINC000474053340 561064443 /nfs/dbraw/zinc/06/44/43/561064443.db2.gz CWZIWFIUFAXNTO-RTBURBONSA-N 0 3 364.534 2.243 20 30 FEEDHN CCN(CC)[C@@H](CNC(=O)c1cnn(C)c1C#N)c1cccc(OC)c1 ZINC000474436895 561074107 /nfs/dbraw/zinc/07/41/07/561074107.db2.gz WLTSNVAVZCLERA-SFHVURJKSA-N 0 3 355.442 2.113 20 30 FEEDHN CC(C)[C@@H](CNC(=O)c1cnn(C)c1C#N)N1CCc2ccccc2C1 ZINC000474779442 561082691 /nfs/dbraw/zinc/08/26/91/561082691.db2.gz GWVPJTDAZQFDQF-LJQANCHMSA-N 0 3 351.454 2.104 20 30 FEEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1(O)CCN(C)CC1 ZINC000474979473 561086721 /nfs/dbraw/zinc/08/67/21/561086721.db2.gz YHPAMCVOGXFRGV-UHFFFAOYSA-N 0 3 372.387 2.457 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(O)(c2ccccc2)CC1 ZINC000528449948 562330016 /nfs/dbraw/zinc/33/00/16/562330016.db2.gz JUBYQMJRRGCKCI-IBGZPJMESA-N 0 3 352.434 2.282 20 30 FEEDHN COc1cccc2c1CCN(C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000528480830 562331474 /nfs/dbraw/zinc/33/14/74/562331474.db2.gz KTJXOWYHJHUOCI-GOSISDBHSA-N 0 3 352.434 2.407 20 30 FEEDHN CN1CC[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1 ZINC000528495708 562332266 /nfs/dbraw/zinc/33/22/66/562332266.db2.gz ZPMZRGOCRRDNSZ-LEWJYISDSA-N 0 3 373.456 2.321 20 30 FEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(CO)(c2ccccc2)CC1 ZINC000528510640 562333239 /nfs/dbraw/zinc/33/32/39/562333239.db2.gz DJGUISIXCGITCR-HXUWFJFHSA-N 0 3 366.461 2.324 20 30 FEEDHN CN1CCN(C[C@@H](O)COc2ccccc2C#N)[C@H](Cc2ccccc2)C1 ZINC000528535419 562334825 /nfs/dbraw/zinc/33/48/25/562334825.db2.gz UYIOOQDMRWLBDQ-NHCUHLMSSA-N 0 3 365.477 2.157 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@](O)(c2ccccc2)C1 ZINC000528658517 562340630 /nfs/dbraw/zinc/34/06/30/562340630.db2.gz PQYKBMBJYVWPSK-FPOVZHCZSA-N 0 3 352.434 2.282 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000528994113 562355695 /nfs/dbraw/zinc/35/56/95/562355695.db2.gz CEPWWTZLMQNDGT-GACTXADBSA-N 0 3 350.365 2.349 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)Cc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000530676267 562420214 /nfs/dbraw/zinc/42/02/14/562420214.db2.gz ULLZUCNIFYIXFP-IAGOWNOFSA-N 0 3 355.482 2.449 20 30 FEEDHN CS[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1N(C)C ZINC000534951979 562546112 /nfs/dbraw/zinc/54/61/12/562546112.db2.gz PPOMYQQNWRFEAN-HUUCEWRRSA-N 0 3 352.891 2.128 20 30 FEEDHN CN(C)CCn1c2cc(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)ccc2[nH]c1=O ZINC000602196605 567950156 /nfs/dbraw/zinc/95/01/56/567950156.db2.gz PKUOOPYTGLFMAG-GOEBONIOSA-N 0 3 355.442 2.068 20 30 FEEDHN CC(C)c1n[nH]c(CC2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)n1 ZINC000602866890 568008416 /nfs/dbraw/zinc/00/84/16/568008416.db2.gz TYBBHTHPXDMPDF-CQSZACIVSA-N 0 3 358.490 2.134 20 30 FEEDHN CC(C)c1nc(CC2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)n[nH]1 ZINC000602866890 568008418 /nfs/dbraw/zinc/00/84/18/568008418.db2.gz TYBBHTHPXDMPDF-CQSZACIVSA-N 0 3 358.490 2.134 20 30 FEEDHN CC(C)c1nnc(CC2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)[nH]1 ZINC000602866890 568008419 /nfs/dbraw/zinc/00/84/19/568008419.db2.gz TYBBHTHPXDMPDF-CQSZACIVSA-N 0 3 358.490 2.134 20 30 FEEDHN C[C@@H]1COCCN1C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000569588352 568408701 /nfs/dbraw/zinc/40/87/01/568408701.db2.gz LEQKYRUDHKCCFE-CQSZACIVSA-N 0 3 362.499 2.133 20 30 FEEDHN C=CCNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000558880102 674519178 /nfs/dbraw/zinc/51/91/78/674519178.db2.gz RQFSMXOIJQAOJH-QMMMGPOBSA-N 0 3 365.238 2.167 20 30 FEEDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000824584668 608487450 /nfs/dbraw/zinc/48/74/50/608487450.db2.gz DJYGWYNUIAGZDV-CYBMUJFWSA-N 0 3 361.409 2.418 20 30 FEEDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3snc(C)c3C#N)C2)CC1 ZINC000562701906 674789990 /nfs/dbraw/zinc/78/99/90/674789990.db2.gz IWPYQAPMDMBQNB-MRXNPFEDSA-N 0 3 361.515 2.094 20 30 FEEDHN Cc1nnsc1C=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000814213495 674826846 /nfs/dbraw/zinc/82/68/46/674826846.db2.gz MVXUFYOAZNICQG-UHFFFAOYSA-N 0 3 374.539 2.309 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000815082847 674914037 /nfs/dbraw/zinc/91/40/37/674914037.db2.gz HOKDKATZPUSGPM-UHFFFAOYSA-N 0 3 350.484 2.149 20 30 FEEDHN N#CCC[C@@H](C#N)CNCCCNS(=O)(=O)c1ccccc1Cl ZINC000570954779 670792533 /nfs/dbraw/zinc/79/25/33/670792533.db2.gz PFUMYRAUKWKXLA-ZDUSSCGKSA-N 0 3 354.863 2.042 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCCCNC(=O)OC(C)(C)C)CC1 ZINC000106270971 670810701 /nfs/dbraw/zinc/81/07/01/670810701.db2.gz KPRQJIAFCIHEIE-UHFFFAOYSA-N 0 3 354.495 2.241 20 30 FEEDHN COc1ncc(CNC[C@H](O)COc2ccc(CC#N)cc2)cc1Cl ZINC000571396322 670868041 /nfs/dbraw/zinc/86/80/41/670868041.db2.gz AKWSZZLAAPZJLI-HNNXBMFYSA-N 0 3 361.829 2.339 20 30 FEEDHN O=C(NCCNCc1cccc(Br)c1)C1N=CC=CC1=O ZINC000113360705 670884304 /nfs/dbraw/zinc/88/43/04/670884304.db2.gz AMKADNJLRRNALB-PFONDFGASA-N 0 3 350.216 2.065 20 30 FEEDHN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000574750044 671274349 /nfs/dbraw/zinc/27/43/49/671274349.db2.gz ISEHABIJGLCRNY-LBPRGKRZSA-N 0 3 365.405 2.398 20 30 FEEDHN CN(C)[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000583989343 672145023 /nfs/dbraw/zinc/14/50/23/672145023.db2.gz YCOMITPLFJKNQY-LJQANCHMSA-N 0 3 363.527 2.432 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000159401864 672281539 /nfs/dbraw/zinc/28/15/39/672281539.db2.gz SZUUXCQXECHQKD-NVXWUHKLSA-N 0 3 365.499 2.271 20 30 FEEDHN COCCNC(=O)C(C#N)C(=O)CCCc1ccc(Br)s1 ZINC000177597260 672383959 /nfs/dbraw/zinc/38/39/59/672383959.db2.gz BKNFXEHQERQNHN-NSHDSACASA-N 0 3 373.272 2.305 20 30 FEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000592124398 672760885 /nfs/dbraw/zinc/76/08/85/672760885.db2.gz BJHSBABHKIALGU-ZFWWWQNUSA-N 0 3 365.275 2.165 20 30 FEEDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000592870480 672849213 /nfs/dbraw/zinc/84/92/13/672849213.db2.gz FQEHFNHXNSRYBP-SNVBAGLBSA-N 0 3 369.252 2.057 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC23CCCC3)CC1 ZINC000593039411 672867179 /nfs/dbraw/zinc/86/71/79/672867179.db2.gz RYSMEFSYWCNRAY-MRXNPFEDSA-N 0 3 358.511 2.475 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC000594327974 673059115 /nfs/dbraw/zinc/05/91/15/673059115.db2.gz YHNDYGZQASKGTG-HOTGVXAUSA-N 0 3 360.845 2.283 20 30 FEEDHN COC(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)c(OC(F)F)c1 ZINC000594434283 673071411 /nfs/dbraw/zinc/07/14/11/673071411.db2.gz MIJCBYSNMKOYFZ-NSHDSACASA-N 0 3 355.341 2.424 20 30 FEEDHN CSCC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1nnc2ccccn21 ZINC000594440615 673071713 /nfs/dbraw/zinc/07/17/13/673071713.db2.gz HAFRORKGDFQYLZ-ZIAGYGMSSA-N 0 3 360.487 2.051 20 30 FEEDHN COc1ccc(Cl)c(N2CCN(C(=O)[C@@H](N)CCCCC#N)CC2)c1 ZINC000594453227 673074667 /nfs/dbraw/zinc/07/46/67/673074667.db2.gz NPOBWMLLUNOXQY-INIZCTEOSA-N 0 3 364.877 2.408 20 30 FEEDHN O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CCN(C2CCCC2)CC1 ZINC000330255764 673088015 /nfs/dbraw/zinc/08/80/15/673088015.db2.gz KCLPBERJOVSDPA-MRXNPFEDSA-N 0 3 351.491 2.189 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000729977096 673255683 /nfs/dbraw/zinc/25/56/83/673255683.db2.gz IUURNQQOKPZSPO-AWEZNQCLSA-N 0 3 355.504 2.063 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000597005844 673436769 /nfs/dbraw/zinc/43/67/69/673436769.db2.gz ZZRFZPFFAMETFQ-RYUDHWBXSA-N 0 3 358.316 2.489 20 30 FEEDHN N#CC(C(=O)CCSc1ccc2c(c1)OCCO2)C(=O)N1CCCC1 ZINC000739143882 673628591 /nfs/dbraw/zinc/62/85/91/673628591.db2.gz OTGCBRILAMFEDM-CQSZACIVSA-N 0 3 360.435 2.271 20 30 FEEDHN CC1(C)CCC[C@@](CO)(NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000599593944 673695139 /nfs/dbraw/zinc/69/51/39/673695139.db2.gz HTFPANCQIAGFGD-GOSISDBHSA-N 0 3 350.484 2.253 20 30 FEEDHN N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)c(Cl)c1 ZINC000600065245 673738234 /nfs/dbraw/zinc/73/82/34/673738234.db2.gz YARNAUWYUIDTIW-CQSZACIVSA-N 0 3 360.845 2.283 20 30 FEEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000545156253 673747314 /nfs/dbraw/zinc/74/73/14/673747314.db2.gz QGDVTCJLAKSSKW-MRXNPFEDSA-N 0 3 358.360 2.067 20 30 FEEDHN Cn1c(CNC[C@@H](O)CC2(C#N)CCOCC2)nc2cccc(Cl)c21 ZINC000600734275 673795622 /nfs/dbraw/zinc/79/56/22/673795622.db2.gz HROKOFKSNOSRHD-ZDUSSCGKSA-N 0 3 362.861 2.388 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1C ZINC000601355527 673847073 /nfs/dbraw/zinc/84/70/73/673847073.db2.gz TXCIVFPXWPNVAT-BBRMVZONSA-N 0 3 353.463 2.499 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1 ZINC000746446347 673878466 /nfs/dbraw/zinc/87/84/66/673878466.db2.gz GUZMWZDNTWVSAK-HNNXBMFYSA-N 0 3 356.392 2.102 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C ZINC000818609063 675228544 /nfs/dbraw/zinc/22/85/44/675228544.db2.gz IZKVYPKGOJYEDF-UHFFFAOYSA-N 0 3 363.824 2.053 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000818615550 675228873 /nfs/dbraw/zinc/22/88/73/675228873.db2.gz PUSXNPXTGCEJIL-MRXNPFEDSA-N 0 3 361.511 2.127 20 30 FEEDHN COc1ccc([C@@H]2C[C@H]2NCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000819277373 675276646 /nfs/dbraw/zinc/27/66/46/675276646.db2.gz ITKQNFLFISSCKI-RBUKOAKNSA-N 0 3 356.447 2.486 20 30 FEEDHN CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCCN(C)C1 ZINC000819313670 675280511 /nfs/dbraw/zinc/28/05/11/675280511.db2.gz JKNLTSCNTCPMME-LSDHHAIUSA-N 0 3 352.479 2.126 20 30 FEEDHN C=CCN1CCC(NC(=O)NCC(F)(F)c2cccc(OC)n2)CC1 ZINC000568428812 675373493 /nfs/dbraw/zinc/37/34/93/675373493.db2.gz SJGSZGCIAGJNPG-UHFFFAOYSA-N 0 3 354.401 2.132 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)nn2C)CC1 ZINC000821466150 675436527 /nfs/dbraw/zinc/43/65/27/675436527.db2.gz GUNZIKAWSDVUJN-UHFFFAOYSA-N 0 3 356.268 2.345 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNCC[C@](C)(O)COC ZINC000824559128 675610109 /nfs/dbraw/zinc/61/01/09/675610109.db2.gz HFBGAXBPDPLUIN-INIZCTEOSA-N 0 3 356.260 2.338 20 30 FEEDHN N#CCc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000619492385 676381074 /nfs/dbraw/zinc/38/10/74/676381074.db2.gz MQTCMELUYWUDKS-QFBILLFUSA-N 0 3 359.495 2.390 20 30 FEEDHN CN(C)C[C@H](NC(=O)NC1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000619817545 676396193 /nfs/dbraw/zinc/39/61/93/676396193.db2.gz CTZFYBLQUQELGQ-KRWDZBQOSA-N 0 3 363.893 2.230 20 30 FEEDHN COc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1C#N ZINC000830408914 677037931 /nfs/dbraw/zinc/03/79/31/677037931.db2.gz UPFGPPDTUQMCOZ-OLZOCXBDSA-N 0 3 358.316 2.489 20 30 FEEDHN CON1CCC(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000839130689 680740219 /nfs/dbraw/zinc/74/02/19/680740219.db2.gz ABYDBVATOUAOOC-AWEZNQCLSA-N 0 3 358.467 2.430 20 30 FEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632987 678193826 /nfs/dbraw/zinc/19/38/26/678193826.db2.gz NTOZEZGNTQVSEW-UHFFFAOYSA-N 0 3 367.862 2.254 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2cncc(OCC(F)(F)F)n2)CC1 ZINC000667730209 679125141 /nfs/dbraw/zinc/12/51/41/679125141.db2.gz KTDDIJYCONXBFC-UHFFFAOYSA-N 0 3 359.352 2.190 20 30 FEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000911920146 685282496 /nfs/dbraw/zinc/28/24/96/685282496.db2.gz VJXNWHNOOCOEDT-INIZCTEOSA-N 0 3 351.472 2.093 20 30 FEEDHN CCC(C#N)C(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC000832650335 680159958 /nfs/dbraw/zinc/15/99/58/680159958.db2.gz KTPDFBDUMCBOSK-WCQYABFASA-N 0 3 358.316 2.335 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1sccc1Br ZINC000835057994 680291859 /nfs/dbraw/zinc/29/18/59/680291859.db2.gz IWZJCQNDESMULL-JTQLQIEISA-N 0 3 373.272 2.305 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cn(CC2CC2)nn1 ZINC000835064627 680292568 /nfs/dbraw/zinc/29/25/68/680292568.db2.gz GKTDDDNHKDEDJF-LLVKDONJSA-N 0 3 361.764 2.442 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cc3n(n2)CCC3)cc1Cl ZINC000835066210 680292639 /nfs/dbraw/zinc/29/26/39/680292639.db2.gz UYIFQDBQYLEDFF-GFCCVEGCSA-N 0 3 358.785 2.452 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NCc2csnc2OC)CC1 ZINC000996602300 680336612 /nfs/dbraw/zinc/33/66/12/680336612.db2.gz ZVLFUMGHCNAIQL-CVEARBPZSA-N 0 3 365.499 2.214 20 30 FEEDHN COC(=O)C[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000754523048 680361064 /nfs/dbraw/zinc/36/10/64/680361064.db2.gz ZGPNQXSAYVTEPB-HZMBPMFUSA-N 0 3 361.467 2.367 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000836317617 680450096 /nfs/dbraw/zinc/45/00/96/680450096.db2.gz GFDHUPNVUBZBMK-KBPBESRZSA-N 0 3 354.495 2.238 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC000986320575 680505311 /nfs/dbraw/zinc/50/53/11/680505311.db2.gz IGNUYMYMIWXCSJ-OWCLPIDISA-N 0 3 369.937 2.412 20 30 FEEDHN Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)c1C#N ZINC001042400423 680529528 /nfs/dbraw/zinc/52/95/28/680529528.db2.gz MGQRISHSVQCSGK-IUODEOHRSA-N 0 3 361.515 2.139 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cccnc2I)CC1 ZINC000758065532 680553637 /nfs/dbraw/zinc/55/36/37/680553637.db2.gz AXTDQRMQTYAZIS-UHFFFAOYSA-N 0 3 371.222 2.066 20 30 FEEDHN C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043511157 680585086 /nfs/dbraw/zinc/58/50/86/680585086.db2.gz GIEXHWRZCRDUDL-DVOMOZLQSA-N 0 3 361.877 2.350 20 30 FEEDHN C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)C1 ZINC001046030670 680643172 /nfs/dbraw/zinc/64/31/72/680643172.db2.gz XOLVMJJZICDLIJ-KZNAEPCWSA-N 0 3 357.523 2.012 20 30 FEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046956575 680654550 /nfs/dbraw/zinc/65/45/50/680654550.db2.gz ZJBMPKRUYZCKSF-YESZJQIVSA-N 0 3 354.441 2.146 20 30 FEEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@@]1=O ZINC000759867858 680670586 /nfs/dbraw/zinc/67/05/86/680670586.db2.gz KEHOFMBOXAEQCW-FPJCUDJDSA-N 0 3 361.492 2.315 20 30 FEEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@]1=O ZINC000759867852 680670629 /nfs/dbraw/zinc/67/06/29/680670629.db2.gz KEHOFMBOXAEQCW-IPKGXFCISA-N 0 3 361.492 2.315 20 30 FEEDHN C#CCNC(=O)[C@@H](C)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769945442 681001596 /nfs/dbraw/zinc/00/15/96/681001596.db2.gz JAXHYDSZOYXKIN-OAHLLOKOSA-N 0 3 351.491 2.093 20 30 FEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000843897107 681024365 /nfs/dbraw/zinc/02/43/65/681024365.db2.gz QISFDCLFBSVRKH-MRXNPFEDSA-N 0 3 351.491 2.095 20 30 FEEDHN N#Cc1ccc(CNC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)CCO2)s1 ZINC001051862951 681070483 /nfs/dbraw/zinc/07/04/83/681070483.db2.gz HDUVSSAROWWTFZ-FHLIZLRMSA-N 0 3 359.495 2.373 20 30 FEEDHN CC[C@@H]1C(=O)NCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000933217921 681376983 /nfs/dbraw/zinc/37/69/83/681376983.db2.gz MRHBOHRZVQBIER-TZMCWYRMSA-N 0 3 356.451 2.073 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000847620476 681406854 /nfs/dbraw/zinc/40/68/54/681406854.db2.gz AMTGABOGVIMMPZ-GOEBONIOSA-N 0 3 350.802 2.163 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000847620474 681406895 /nfs/dbraw/zinc/40/68/95/681406895.db2.gz AMTGABOGVIMMPZ-GDBMZVCRSA-N 0 3 350.802 2.163 20 30 FEEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000778298633 681594067 /nfs/dbraw/zinc/59/40/67/681594067.db2.gz RCAKVWYJEIZYKB-PRHODGIISA-N 0 3 356.348 2.153 20 30 FEEDHN CCCCCN(CC(N)=O)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000780338433 681816056 /nfs/dbraw/zinc/81/60/56/681816056.db2.gz CCRCCFVUXYJNLU-CYBMUJFWSA-N 0 3 358.467 2.450 20 30 FEEDHN Cn1cc(CCC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1 ZINC000850761633 681957487 /nfs/dbraw/zinc/95/74/87/681957487.db2.gz PQEKORLVNYHKRN-CYBMUJFWSA-N 0 3 366.208 2.402 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(CNCc2csnc2OC)C1 ZINC000962414195 682117503 /nfs/dbraw/zinc/11/75/03/682117503.db2.gz HWIDFJMZQSUEES-UAOKOLBASA-N 0 3 365.499 2.117 20 30 FEEDHN N#CC(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)NC1CC1 ZINC000916926539 685528606 /nfs/dbraw/zinc/52/86/06/685528606.db2.gz ILCIRIDQLQMORO-IINYFYTJSA-N 0 3 363.826 2.130 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]21 ZINC000972340669 682407966 /nfs/dbraw/zinc/40/79/66/682407966.db2.gz YEKWBYWBLULEFF-BZUAXINKSA-N 0 3 369.937 2.411 20 30 FEEDHN CCC(=O)N[C@@H](CCSC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792101682 682788877 /nfs/dbraw/zinc/78/88/77/682788877.db2.gz TWEJFZASFNAVAM-DOMZBBRYSA-N 0 3 356.451 2.454 20 30 FEEDHN C#CCOc1cccc(Cl)c1CN1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000793344318 682883745 /nfs/dbraw/zinc/88/37/45/682883745.db2.gz QSSJHGXXIAMUBA-IFXJQAMLSA-N 0 3 363.841 2.364 20 30 FEEDHN C[C@H](CNC(=O)OC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796790208 683195886 /nfs/dbraw/zinc/19/58/86/683195886.db2.gz QGCCSXBGAOKGRG-OCCSQVGLSA-N 0 3 351.447 2.305 20 30 FEEDHN Cc1cn(CC(=O)C(C#N)C(=O)NC2CCCCC2)nc1C(F)(F)F ZINC000860470232 683248204 /nfs/dbraw/zinc/24/82/04/683248204.db2.gz XYJUCVKTBOLQQQ-LBPRGKRZSA-N 0 3 356.348 2.368 20 30 FEEDHN COCC(=O)N[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)C ZINC000797569168 683259370 /nfs/dbraw/zinc/25/93/70/683259370.db2.gz NUXXTRHZFAYNFP-FZMZJTMJSA-N 0 3 351.472 2.404 20 30 FEEDHN C#CCN(C(=O)NCc1csc([C@@H](C)OC)n1)C1CCN(C)CC1 ZINC000921374090 683445757 /nfs/dbraw/zinc/44/57/57/683445757.db2.gz ZYAITMVGJRPSEF-CYBMUJFWSA-N 0 3 350.488 2.090 20 30 FEEDHN C#Cc1ccc(NC(=O)CCN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000930454475 683736338 /nfs/dbraw/zinc/73/63/38/683736338.db2.gz XPCHMGVUQJNTGM-HOCLYGCPSA-N 0 3 354.372 2.489 20 30 FEEDHN C#CCN(C(=O)NC[C@@H]1CSc2ccccc2O1)C1CCN(C)CC1 ZINC000923017423 683820043 /nfs/dbraw/zinc/82/00/43/683820043.db2.gz AQTQNFMPLFRIHL-MRXNPFEDSA-N 0 3 359.495 2.279 20 30 FEEDHN C#CCN(C(=O)[C@H](CC)N(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000923683409 684330034 /nfs/dbraw/zinc/33/00/34/684330034.db2.gz IZNCXXIIGNNEKU-INIZCTEOSA-N 0 3 351.491 2.188 20 30 FEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000870143675 684687305 /nfs/dbraw/zinc/68/73/05/684687305.db2.gz WJPKJMJJNPTQQV-CBBWQLFWSA-N 0 3 359.223 2.322 20 30 FEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000871008352 684779457 /nfs/dbraw/zinc/77/94/57/684779457.db2.gz RZAXCHBWMNZAGF-RISCZKNCSA-N 0 3 366.259 2.280 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CCC(=O)OC)C2)CC1 ZINC000875248337 685764683 /nfs/dbraw/zinc/76/46/83/685764683.db2.gz RKGKAOCBAZDRSO-MRXNPFEDSA-N 0 3 351.491 2.402 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000876592521 686225823 /nfs/dbraw/zinc/22/58/23/686225823.db2.gz SVPGIUIVBBNSOJ-GJZGRUSLSA-N 0 3 367.877 2.191 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000876623303 686230304 /nfs/dbraw/zinc/23/03/04/686230304.db2.gz GLPFRKNPGSMHOO-MRXNPFEDSA-N 0 3 361.873 2.284 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000876642440 686235036 /nfs/dbraw/zinc/23/50/36/686235036.db2.gz AVQJTSOIOLGPBR-AWEZNQCLSA-N 0 3 374.243 2.233 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000876675102 686240847 /nfs/dbraw/zinc/24/08/47/686240847.db2.gz CJGZJSPYPBKIED-LLVKDONJSA-N 0 3 367.858 2.249 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000876722391 686253381 /nfs/dbraw/zinc/25/33/81/686253381.db2.gz TXNLMANXXUXOPR-HOTGVXAUSA-N 0 3 372.296 2.299 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000876902758 686291862 /nfs/dbraw/zinc/29/18/62/686291862.db2.gz GLLHKNSKBAYGOV-YDHLFZDLSA-N 0 3 356.253 2.198 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000876908152 686292981 /nfs/dbraw/zinc/29/29/81/686292981.db2.gz KBVJVZNEYJRFJT-UONOGXRCSA-N 0 3 362.817 2.106 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000876908150 686293262 /nfs/dbraw/zinc/29/32/62/686293262.db2.gz KBVJVZNEYJRFJT-KBPBESRZSA-N 0 3 362.817 2.106 20 30 FEEDHN C=CCCc1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC000882417792 687364181 /nfs/dbraw/zinc/36/41/81/687364181.db2.gz BYDQMAKTIHLVTP-SFHVURJKSA-N 0 3 364.511 2.025 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCC[C@@H]1CSc3ccccc3O1)C2 ZINC000884373856 687857865 /nfs/dbraw/zinc/85/78/65/687857865.db2.gz YBSWMLOWFYXDBN-UARSRXHTSA-N 0 3 357.479 2.185 20 30 FEEDHN C#CCN(C(=O)c1[nH]nc(C2CC2)c1Br)C1CCN(C)CC1 ZINC000886582420 688279535 /nfs/dbraw/zinc/27/95/35/688279535.db2.gz UABIYUSIZWLGTK-UHFFFAOYSA-N 0 3 365.275 2.219 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H](CC2CC2)NC(=O)OC(C)(C)C)CC1 ZINC000896209072 689838234 /nfs/dbraw/zinc/83/82/34/689838234.db2.gz SXJIGSPEPJLXCA-MRXNPFEDSA-N 0 3 351.491 2.446 20 30 FEEDHN CC(C(=O)N(O)CCCCc1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000904196979 691012054 /nfs/dbraw/zinc/01/20/54/691012054.db2.gz MMVRGWBQYGONKY-OAHLLOKOSA-N 0 3 369.483 2.209 20 30 FEEDHN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(CC(C)C)CC1 ZINC001164657235 719337505 /nfs/dbraw/zinc/33/75/05/719337505.db2.gz DYJHRNBYBIKOAW-HNNXBMFYSA-N 0 3 367.453 2.188 20 30 FEEDHN Cc1cc(C#N)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164865962 721075383 /nfs/dbraw/zinc/07/53/83/721075383.db2.gz QLFJPBSOLTZPTQ-PMACEKPBSA-N 0 3 363.465 2.445 20 30 FEEDHN Cn1cc(CN2CC[C@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@H]3C2)cn1 ZINC001164773334 721180344 /nfs/dbraw/zinc/18/03/44/721180344.db2.gz WHTHXEVHRNFIEB-DOTOQJQBSA-N 0 3 361.453 2.126 20 30 FEEDHN Cn1cc(CN2CC[C@@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@@H]3C2)cn1 ZINC001164762659 721199709 /nfs/dbraw/zinc/19/97/09/721199709.db2.gz DCBDZOJLMBGMJK-MJGOQNOKSA-N 0 3 362.481 2.134 20 30 FEEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000800310328 674040840 /nfs/dbraw/zinc/04/08/40/674040840.db2.gz WWTJIITUGMNTBW-CJNGLKHVSA-N 0 3 370.902 2.160 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)Cc1c(F)ccc(Br)c1F ZINC000800385004 674047817 /nfs/dbraw/zinc/04/78/17/674047817.db2.gz OYQHFHRURNKNKT-SECBINFHSA-N 0 3 357.154 2.281 20 30 FEEDHN COC(=O)c1ccc(CN(C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000027207691 539802090 /nfs/dbraw/zinc/80/20/90/539802090.db2.gz CONIROKCKMEBGE-LJQANCHMSA-N 0 3 368.433 2.411 20 30 FEEDHN N#Cc1ccc(OCCN2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000027779241 539817188 /nfs/dbraw/zinc/81/71/88/539817188.db2.gz OLSYKPYGUIAPSI-UHFFFAOYSA-N 0 3 355.360 2.328 20 30 FEEDHN CN(C)S(=O)(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000046441072 540257654 /nfs/dbraw/zinc/25/76/54/540257654.db2.gz VYUMIVRLOGYVGT-CQSZACIVSA-N 0 3 368.418 2.303 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCNC(=O)C(C)(C)C ZINC000047010322 540284776 /nfs/dbraw/zinc/28/47/76/540284776.db2.gz DNNGCPHUGROIST-UHFFFAOYSA-N 0 3 358.486 2.001 20 30 FEEDHN C#CCN1CCC(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)CC1 ZINC000050024296 540397218 /nfs/dbraw/zinc/39/72/18/540397218.db2.gz BSPLMPAIFWMTAW-HXUWFJFHSA-N 0 3 369.509 2.294 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)N(C)C ZINC000052485705 540467919 /nfs/dbraw/zinc/46/79/19/540467919.db2.gz XHRIBUHBQVJJPV-AWEZNQCLSA-N 0 3 351.520 2.061 20 30 FEEDHN N#CC(C(=O)c1ccoc1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000054728135 540605706 /nfs/dbraw/zinc/60/57/06/540605706.db2.gz YUZWMGUHWGPBGG-MRXNPFEDSA-N 0 3 363.377 2.187 20 30 FEEDHN COc1cccc(OC)c1OC[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000063495124 541171667 /nfs/dbraw/zinc/17/16/67/541171667.db2.gz WJRSRVIFQKCUBI-QGZVFWFLSA-N 0 3 356.422 2.447 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000065930009 541272379 /nfs/dbraw/zinc/27/23/79/541272379.db2.gz SEVTWQHPHZZHHE-FQEVSTJZSA-N 0 3 365.433 2.288 20 30 FEEDHN N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000066223081 541292932 /nfs/dbraw/zinc/29/29/32/541292932.db2.gz BSVRPHHIEGCMRI-QGZVFWFLSA-N 0 3 370.453 2.004 20 30 FEEDHN CN(C)Cc1cccc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 ZINC000066240493 541294402 /nfs/dbraw/zinc/29/44/02/541294402.db2.gz OYZSAVLNNHQYME-UHFFFAOYSA-N 0 3 374.448 2.318 20 30 FEEDHN CN(CCN1CCCC1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066625039 541348556 /nfs/dbraw/zinc/34/85/56/541348556.db2.gz LWMCVIRKITYVQJ-UHFFFAOYSA-N 0 3 356.470 2.268 20 30 FEEDHN CN(C)CCNC(=O)c1cccc(CNc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000066816503 541375346 /nfs/dbraw/zinc/37/53/46/541375346.db2.gz CQFSAXKAMVQYLO-UHFFFAOYSA-N 0 3 367.409 2.370 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CCCC1 ZINC000067375411 541451616 /nfs/dbraw/zinc/45/16/16/541451616.db2.gz GKQOGAQBRBVWNB-KRWDZBQOSA-N 0 3 372.469 2.132 20 30 FEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000067397799 541456380 /nfs/dbraw/zinc/45/63/80/541456380.db2.gz AXSNUUOWUWEMIM-CHWSQXEVSA-N 0 3 362.861 2.387 20 30 FEEDHN COC(=O)[C@@H]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705398 541989214 /nfs/dbraw/zinc/98/92/14/541989214.db2.gz FRRICYRZNFVATE-RTBURBONSA-N 0 3 371.481 2.428 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCSCC[C@H]1C)C(C)C ZINC000551221450 674132623 /nfs/dbraw/zinc/13/26/23/674132623.db2.gz IUJDSAPFHGMYOL-SJORKVTESA-N 0 3 367.559 2.155 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000074655350 542107003 /nfs/dbraw/zinc/10/70/03/542107003.db2.gz TUPVVEGXVWVSBY-INIZCTEOSA-N 0 3 350.532 2.329 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000076512878 542288089 /nfs/dbraw/zinc/28/80/89/542288089.db2.gz WWAHZOWORGCPTR-UHFFFAOYSA-N 0 3 357.454 2.181 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(OCC(F)(F)F)cc1 ZINC000077604882 542401910 /nfs/dbraw/zinc/40/19/10/542401910.db2.gz BLLMHPQQZDKLJD-NSHDSACASA-N 0 3 365.373 2.233 20 30 FEEDHN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000077769163 542418618 /nfs/dbraw/zinc/41/86/18/542418618.db2.gz IVOXQZSGDYKGCZ-HNNXBMFYSA-N 0 3 358.486 2.236 20 30 FEEDHN C=C(Cl)CNC(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000077779000 542419740 /nfs/dbraw/zinc/41/97/40/542419740.db2.gz WSMCDMMQCOWSHQ-UHFFFAOYSA-N 0 3 364.877 2.024 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCCn2c(C)nnc21)C(C)C ZINC000080077611 542563268 /nfs/dbraw/zinc/56/32/68/542563268.db2.gz FEZKQODXFWXXKO-IRXDYDNUSA-N 0 3 360.506 2.419 20 30 FEEDHN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000088775617 542756644 /nfs/dbraw/zinc/75/66/44/542756644.db2.gz HRLVMPLZNZSFIC-AWEZNQCLSA-N 0 3 360.845 2.237 20 30 FEEDHN Cn1ccnc1[C@@H](O)C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000089926130 542774066 /nfs/dbraw/zinc/77/40/66/542774066.db2.gz PEZAYKSZUYHOKB-IBGZPJMESA-N 0 3 367.453 2.066 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000092798948 542887846 /nfs/dbraw/zinc/88/78/46/542887846.db2.gz VLSANLFWXGHJNY-GOSISDBHSA-N 0 3 356.470 2.033 20 30 FEEDHN C=C(C)COc1cccc(NC(=O)C(=O)N(C)CC2CCN(C)CC2)c1 ZINC000103632278 543116011 /nfs/dbraw/zinc/11/60/11/543116011.db2.gz RJUADBFUYGBWME-UHFFFAOYSA-N 0 3 359.470 2.380 20 30 FEEDHN C[C@@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C1CC1 ZINC000105266108 543167423 /nfs/dbraw/zinc/16/74/23/543167423.db2.gz ZMBMRJXHLYRCFH-KRWDZBQOSA-N 0 3 369.513 2.258 20 30 FEEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCCNC1=O ZINC000105613828 543177837 /nfs/dbraw/zinc/17/78/37/543177837.db2.gz RIUNZZIMXZDOLC-CQSZACIVSA-N 0 3 360.483 2.038 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000106252924 543221035 /nfs/dbraw/zinc/22/10/35/543221035.db2.gz KVFCYYQXYAIPPO-UHFFFAOYSA-N 0 3 359.474 2.080 20 30 FEEDHN CCN(CC)[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1cccc(OC)c1 ZINC000106329734 543223386 /nfs/dbraw/zinc/22/33/86/543223386.db2.gz CCYFWCDDUFAOTJ-ZWKOTPCHSA-N 0 3 360.458 2.012 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CNC(=O)CCC)C2)CC1 ZINC000106340897 543224845 /nfs/dbraw/zinc/22/48/45/543224845.db2.gz GLVGPFHROFTPQA-KRWDZBQOSA-N 0 3 364.534 2.365 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CCCC[C@@H]1CN1CCOCC1 ZINC000109820621 543340413 /nfs/dbraw/zinc/34/04/13/543340413.db2.gz ZUBDFUPRPZJXKE-MRXNPFEDSA-N 0 3 362.499 2.135 20 30 FEEDHN COc1ccc([C@H](CO)N(C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000113510072 543489055 /nfs/dbraw/zinc/48/90/55/543489055.db2.gz LPLDSKZJJFECFI-RXVVDRJESA-N 0 3 370.449 2.166 20 30 FEEDHN C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000117074394 543622499 /nfs/dbraw/zinc/62/24/99/543622499.db2.gz FXTUCPJJPWLTAF-MRXNPFEDSA-N 0 3 370.497 2.238 20 30 FEEDHN CN1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000118898541 543661695 /nfs/dbraw/zinc/66/16/95/543661695.db2.gz AJFKAPSHIFSTPY-AWEZNQCLSA-N 0 3 360.483 2.089 20 30 FEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000122263877 543704888 /nfs/dbraw/zinc/70/48/88/543704888.db2.gz LIELXHIUCZIDEF-CQSZACIVSA-N 0 3 353.403 2.467 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3CC(C)C)CC2)o1 ZINC000123648872 543775091 /nfs/dbraw/zinc/77/50/91/543775091.db2.gz JFMROCIWTGNSKB-QGZVFWFLSA-N 0 3 373.501 2.404 20 30 FEEDHN C=CCc1cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc(OC)c1O ZINC000124451006 543822261 /nfs/dbraw/zinc/82/22/61/543822261.db2.gz MRIHDEWGIFDDFP-GOSISDBHSA-N 0 3 374.481 2.200 20 30 FEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125624321 543892532 /nfs/dbraw/zinc/89/25/32/543892532.db2.gz QGVVYTFAFJJFNT-LLVKDONJSA-N 0 3 357.380 2.368 20 30 FEEDHN CN(C(=O)C1(C#N)CCOCC1)c1ccc(OCCN2CCCC2)cc1 ZINC000126909499 543962662 /nfs/dbraw/zinc/96/26/62/543962662.db2.gz IGAMQJUXMLKERD-UHFFFAOYSA-N 0 3 357.454 2.444 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC(F)F)[C@H](CC)C2)CC1 ZINC000127642245 544005301 /nfs/dbraw/zinc/00/53/01/544005301.db2.gz DEYXQCXGISWHBV-MRXNPFEDSA-N 0 3 358.477 2.398 20 30 FEEDHN CCN1CCN(CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000130542774 544155013 /nfs/dbraw/zinc/15/50/13/544155013.db2.gz BTRAKYVBZFFJRM-UHFFFAOYSA-N 0 3 362.477 2.448 20 30 FEEDHN N#CCCN(C(=O)CN[C@@H]1CCCC[C@H]1C(N)=O)c1cccc(Cl)c1 ZINC000131166909 544179268 /nfs/dbraw/zinc/17/92/68/544179268.db2.gz MAXWHDSRQWULPR-HZPDHXFCSA-N 0 3 362.861 2.220 20 30 FEEDHN C=C(C)COCCNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000131818783 544208360 /nfs/dbraw/zinc/20/83/60/544208360.db2.gz FAZLFVOUMSBPJU-UHFFFAOYSA-N 0 3 361.486 2.035 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000133154693 544258020 /nfs/dbraw/zinc/25/80/20/544258020.db2.gz VQTZYKUKMUBYEY-MOPGFXCFSA-N 0 3 361.436 2.171 20 30 FEEDHN C=C(C)COCCNC(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000135033723 544331554 /nfs/dbraw/zinc/33/15/54/544331554.db2.gz MVBOXRMNSFXUGP-UHFFFAOYSA-N 0 3 374.529 2.216 20 30 FEEDHN C=CCCCCCN(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000150877790 544481957 /nfs/dbraw/zinc/48/19/57/544481957.db2.gz OQJFLRVYRMRBIA-UHFFFAOYSA-N 0 3 359.474 2.182 20 30 FEEDHN CCN(C(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N)C1CCCCC1 ZINC000153342161 544763147 /nfs/dbraw/zinc/76/31/47/544763147.db2.gz MTPVHEVXJBPIPS-CQSZACIVSA-N 0 3 360.506 2.298 20 30 FEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000153552059 544789515 /nfs/dbraw/zinc/78/95/15/544789515.db2.gz ZIRGLPXHWPLPNG-UHFFFAOYSA-N 0 3 367.449 2.427 20 30 FEEDHN CCN(CCO)CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000187401342 328022940 /nfs/dbraw/zinc/02/29/40/328022940.db2.gz IBOOOCGEANULMG-UHFFFAOYSA-N 0 3 366.465 2.339 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000187668764 328038764 /nfs/dbraw/zinc/03/87/64/328038764.db2.gz DCRFFVQSGXYRIX-HNNXBMFYSA-N 0 3 351.454 2.495 20 30 FEEDHN COCCO[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000189676554 328161452 /nfs/dbraw/zinc/16/14/52/328161452.db2.gz VOFUAFOZXWCIPU-CYBMUJFWSA-N 0 3 363.483 2.174 20 30 FEEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccnc(C#N)c3)CC2)C[C@H](C)O1 ZINC000193458646 328376877 /nfs/dbraw/zinc/37/68/77/328376877.db2.gz IHUMSYFLAKASKP-IYBDPMFKSA-N 0 3 356.470 2.305 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(F)cc1 ZINC000193572786 328382555 /nfs/dbraw/zinc/38/25/55/328382555.db2.gz WOWOTLCCUQLZFQ-UHFFFAOYSA-N 0 3 368.412 2.226 20 30 FEEDHN COc1cc(C#N)ccc1OCCCC(=O)NC1CCN(C2CC2)CC1 ZINC000107580379 325630602 /nfs/dbraw/zinc/63/06/02/325630602.db2.gz FNDOLKFLDWSNKP-UHFFFAOYSA-N 0 3 357.454 2.469 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000118126792 326084151 /nfs/dbraw/zinc/08/41/51/326084151.db2.gz KESGVHGDAQKXFH-MRXNPFEDSA-N 0 3 372.469 2.275 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000120467132 326260996 /nfs/dbraw/zinc/26/09/96/326260996.db2.gz CJNVIBSBVHAUNR-ZBFHGGJFSA-N 0 3 372.469 2.225 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000127736041 326511677 /nfs/dbraw/zinc/51/16/77/326511677.db2.gz ICVQUAIKXCOQDG-MSOLQXFVSA-N 0 3 358.467 2.302 20 30 FEEDHN COc1cc(C#N)ccc1OCCN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131925959 326584393 /nfs/dbraw/zinc/58/43/93/326584393.db2.gz UCXIKNKFTBLOPU-QGZVFWFLSA-N 0 3 360.454 2.463 20 30 FEEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000156571923 326836106 /nfs/dbraw/zinc/83/61/06/326836106.db2.gz KYOFCCQJRRQBDX-UHFFFAOYSA-N 0 3 353.875 2.461 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](NCc3cnc4cnccn34)C2)c(F)c1 ZINC000156804658 326844564 /nfs/dbraw/zinc/84/45/64/326844564.db2.gz VEROVRUUSHIORG-HNNXBMFYSA-N 0 3 350.401 2.499 20 30 FEEDHN COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c([O-])c1 ZINC000171945053 327171911 /nfs/dbraw/zinc/17/19/11/327171911.db2.gz ZLUJNSCBEUGMEH-UHFFFAOYSA-N 0 3 353.422 2.476 20 30 FEEDHN CN1CCN([C@@H]2CCCCN(Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000174885017 327358055 /nfs/dbraw/zinc/35/80/55/327358055.db2.gz LPZUZTNQKGXDIM-LJQANCHMSA-N 0 3 351.498 2.413 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOC1CCOCC1 ZINC000177137293 327500528 /nfs/dbraw/zinc/50/05/28/327500528.db2.gz FJNBDUKRZZNMEM-UHFFFAOYSA-N 0 3 359.470 2.034 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000264729166 329053959 /nfs/dbraw/zinc/05/39/59/329053959.db2.gz QBJYUTYNLADFFU-KRWDZBQOSA-N 0 3 368.485 2.141 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(Cc2ccc(C#N)o2)CC1 ZINC000271169514 329668846 /nfs/dbraw/zinc/66/88/46/329668846.db2.gz IHVFLHZNRCFROO-UHFFFAOYSA-N 0 3 354.454 2.414 20 30 FEEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000275171846 330018027 /nfs/dbraw/zinc/01/80/27/330018027.db2.gz BDFJXNXYZBPBCM-IRXDYDNUSA-N 0 3 353.426 2.230 20 30 FEEDHN CN(C)CCc1ccccc1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000275930298 330104513 /nfs/dbraw/zinc/10/45/13/330104513.db2.gz XYURQBPINIOKEI-UHFFFAOYSA-N 0 3 350.422 2.031 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000367110192 330217838 /nfs/dbraw/zinc/21/78/38/330217838.db2.gz WOUCEJNXAIXUTH-WIYYLYMNSA-N 0 3 352.434 2.112 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000367178639 330226446 /nfs/dbraw/zinc/22/64/46/330226446.db2.gz ACBWPDVNULCJJA-OAHLLOKOSA-N 0 3 361.492 2.420 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416706001 330262468 /nfs/dbraw/zinc/26/24/68/330262468.db2.gz MHGULFMDNDYAGV-OXQOHEQNSA-N 0 3 369.513 2.261 20 30 FEEDHN Cc1ccc(S(=O)(=O)N2CCC(NC[C@H](C#N)CCC#N)CC2)cc1 ZINC000554452460 674317880 /nfs/dbraw/zinc/31/78/80/674317880.db2.gz UIEXQKNMWWZGDJ-INIZCTEOSA-N 0 3 360.483 2.181 20 30 FEEDHN CN(C)[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000554797891 674336972 /nfs/dbraw/zinc/33/69/72/674336972.db2.gz HOBJWCCRBVKHRL-LJQANCHMSA-N 0 3 357.479 2.224 20 30 FEEDHN N#Cc1cncc(S(=O)(=O)N(CCN2CCCCCC2)C2CCC2)c1 ZINC000554970891 674343747 /nfs/dbraw/zinc/34/37/47/674343747.db2.gz SWZULVFBZNZUEO-UHFFFAOYSA-N 0 3 362.499 2.372 20 30 FEEDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)C1 ZINC000555405113 674359438 /nfs/dbraw/zinc/35/94/38/674359438.db2.gz FUWAGWYLKSVHTR-INIZCTEOSA-N 0 3 353.875 2.318 20 30 FEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000555759279 674375313 /nfs/dbraw/zinc/37/53/13/674375313.db2.gz INJCKTSITKDGJA-MSOLQXFVSA-N 0 3 363.845 2.060 20 30 FEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000555759284 674375321 /nfs/dbraw/zinc/37/53/21/674375321.db2.gz INJCKTSITKDGJA-QZTJIDSGSA-N 0 3 363.845 2.060 20 30 FEEDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000478167240 561161252 /nfs/dbraw/zinc/16/12/52/561161252.db2.gz IILSRXITYVEFSX-CQSZACIVSA-N 0 3 353.463 2.381 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](C2OCCO2)C1)C(C)C ZINC000171628342 546215953 /nfs/dbraw/zinc/21/59/53/546215953.db2.gz VNWNXUNJEVEZIF-QZTJIDSGSA-N 0 3 365.518 2.480 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000171709921 546219413 /nfs/dbraw/zinc/21/94/13/546219413.db2.gz NCEADROAUQJDNU-UHFFFAOYSA-N 0 3 372.391 2.472 20 30 FEEDHN C=CCN1CCC(NC(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)CC1 ZINC000171714606 546220132 /nfs/dbraw/zinc/22/01/32/546220132.db2.gz LCCXFHMRWGWVDI-UHFFFAOYSA-N 0 3 374.504 2.348 20 30 FEEDHN C=CCN1CCC(NC(=O)CCc2ccc(OC)c(OC)c2OC)CC1 ZINC000171715666 546220495 /nfs/dbraw/zinc/22/04/95/546220495.db2.gz UBAWHYCZLHIRRB-UHFFFAOYSA-N 0 3 362.470 2.412 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(C(=O)NCCCCC)CC2)CC1 ZINC000171741597 546223433 /nfs/dbraw/zinc/22/34/33/546223433.db2.gz OCYNRNFTXPGSJU-UHFFFAOYSA-N 0 3 364.534 2.365 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000172075713 546236094 /nfs/dbraw/zinc/23/60/94/546236094.db2.gz JCQGYJRWQXFQOI-GOSISDBHSA-N 0 3 356.470 2.132 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000172185614 546240184 /nfs/dbraw/zinc/24/01/84/546240184.db2.gz BQHRZZPTDXAIGO-PXNSSMCTSA-N 0 3 371.529 2.242 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2Cl)CC1 ZINC000173275728 546276972 /nfs/dbraw/zinc/27/69/72/546276972.db2.gz PWGUNZCTKUJPAU-UHFFFAOYSA-N 0 3 351.834 2.054 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)CC1 ZINC000173273433 546277063 /nfs/dbraw/zinc/27/70/63/546277063.db2.gz SVSNZHBBFYJGBF-UHFFFAOYSA-N 0 3 368.437 2.355 20 30 FEEDHN CN1CCC(NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000175807606 546354081 /nfs/dbraw/zinc/35/40/81/546354081.db2.gz BONJIKDMFDMZBD-UHFFFAOYSA-N 0 3 361.445 2.235 20 30 FEEDHN Cn1cc(CNc2ccccc2CN2CCC[C@H](C(N)=O)C2)cc1C#N ZINC000480295222 561206516 /nfs/dbraw/zinc/20/65/16/561206516.db2.gz QXVBYTTZRZCYAR-KRWDZBQOSA-N 0 3 351.454 2.206 20 30 FEEDHN CN(C)[C@H](CNC(=O)CN(CCC#N)Cc1ccco1)c1ccccc1 ZINC000176838485 546495419 /nfs/dbraw/zinc/49/54/19/546495419.db2.gz CXZYEDGAEKSMPK-LJQANCHMSA-N 0 3 354.454 2.414 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000480967885 561221499 /nfs/dbraw/zinc/22/14/99/561221499.db2.gz FFLZCIJYPZQKMJ-GFCCVEGCSA-N 0 3 364.402 2.232 20 30 FEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000482872275 561261998 /nfs/dbraw/zinc/26/19/98/561261998.db2.gz VKBDCEDYQMJGSE-YJBOKZPZSA-N 0 3 371.485 2.057 20 30 FEEDHN N#Cc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)c(Br)c1 ZINC000181120467 547254020 /nfs/dbraw/zinc/25/40/20/547254020.db2.gz ZNYJNOKXNXGQRU-HNNXBMFYSA-N 0 3 364.287 2.475 20 30 FEEDHN CN(C)C[C@](C)(O)CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000182372778 547481418 /nfs/dbraw/zinc/48/14/18/547481418.db2.gz TVZKXAUHVIGVIV-HXUWFJFHSA-N 0 3 353.422 2.393 20 30 FEEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(=O)n(C)c1 ZINC000483970498 561288323 /nfs/dbraw/zinc/28/83/23/561288323.db2.gz CHASMPAFDOMEGA-UHFFFAOYSA-N 0 3 367.453 2.161 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182807154 547555039 /nfs/dbraw/zinc/55/50/39/547555039.db2.gz OTDZIQNKWSOIIJ-CYBMUJFWSA-N 0 3 357.380 2.301 20 30 FEEDHN CC[C@H](NCCOc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183023575 547588697 /nfs/dbraw/zinc/58/86/97/547588697.db2.gz IKEFBWDTLJJYCR-SFHVURJKSA-N 0 3 359.451 2.325 20 30 FEEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000184615917 547854595 /nfs/dbraw/zinc/85/45/95/547854595.db2.gz VLIYYJZSPWJIIN-MRXNPFEDSA-N 0 3 356.426 2.061 20 30 FEEDHN Cc1nc(C)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nc1C ZINC000184856849 547888386 /nfs/dbraw/zinc/88/83/86/547888386.db2.gz NQFJDRPFKJWIAO-UHFFFAOYSA-N 0 3 351.454 2.478 20 30 FEEDHN CN(C)[C@@H](CNC(=O)CN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000184934489 547903230 /nfs/dbraw/zinc/90/32/30/547903230.db2.gz YTMYCAZRSQGRNG-FQEVSTJZSA-N 0 3 350.466 2.409 20 30 FEEDHN C=CCOc1ccccc1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185700756 548022393 /nfs/dbraw/zinc/02/23/93/548022393.db2.gz PXIXWVBPNHPYCJ-QGZVFWFLSA-N 0 3 360.502 2.077 20 30 FEEDHN C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000187440000 548257052 /nfs/dbraw/zinc/25/70/52/548257052.db2.gz OPIIGAALQIJPGF-UHFFFAOYSA-N 0 3 358.486 2.192 20 30 FEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1 ZINC000188405524 548278819 /nfs/dbraw/zinc/27/88/19/548278819.db2.gz ZWXJHSNNXZORIW-UHFFFAOYSA-N 0 3 365.437 2.122 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192066479 548357407 /nfs/dbraw/zinc/35/74/07/548357407.db2.gz SWXZTGPKMGYMDO-TUKIKUTGSA-N 0 3 351.834 2.160 20 30 FEEDHN C[C@@H](O)CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000192829782 548373664 /nfs/dbraw/zinc/37/36/64/548373664.db2.gz GUDHYZXJZMXRBQ-LSDHHAIUSA-N 0 3 356.388 2.324 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](Cn4ccnn4)C3)C2=O)cc1 ZINC000245536577 548940846 /nfs/dbraw/zinc/94/08/46/548940846.db2.gz XIRKPYFFIJUZCK-MJGOQNOKSA-N 0 3 364.453 2.057 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245731897 548983375 /nfs/dbraw/zinc/98/33/75/548983375.db2.gz CKXUCVHNHMWWOU-GOEBONIOSA-N 0 3 372.494 2.424 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000245907481 549015597 /nfs/dbraw/zinc/01/55/97/549015597.db2.gz UHVUIRRNVBRNGH-YESZJQIVSA-N 0 3 358.511 2.189 20 30 FEEDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000246198752 549075763 /nfs/dbraw/zinc/07/57/63/549075763.db2.gz PBRHPLSUSVVISJ-GJZGRUSLSA-N 0 3 353.875 2.459 20 30 FEEDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000246703908 549192689 /nfs/dbraw/zinc/19/26/89/549192689.db2.gz KGLXURQAETYACP-AJYBTWMASA-N 0 3 354.498 2.484 20 30 FEEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000246741138 549201495 /nfs/dbraw/zinc/20/14/95/549201495.db2.gz QQCMHMLALBQTOD-CABCVRRESA-N 0 3 374.510 2.477 20 30 FEEDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000247669583 549370968 /nfs/dbraw/zinc/37/09/68/549370968.db2.gz ZESOLDWJIXJDBT-LRDDRELGSA-N 0 3 353.875 2.316 20 30 FEEDHN C=CCCCS(=O)(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000489583065 561414801 /nfs/dbraw/zinc/41/48/01/561414801.db2.gz WTGJPRRQMKQGRJ-IRXDYDNUSA-N 0 3 358.548 2.494 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249226017 549570326 /nfs/dbraw/zinc/57/03/26/549570326.db2.gz UWRAFTXDIKWLAZ-IPMKNSEASA-N 0 3 356.470 2.199 20 30 FEEDHN CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@@H](C)C1 ZINC000253544300 549692471 /nfs/dbraw/zinc/69/24/71/549692471.db2.gz NHHWBZREDYLGBA-SCLBCKFNSA-N 0 3 358.486 2.397 20 30 FEEDHN CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@@H](C)C1 ZINC000253544300 549692472 /nfs/dbraw/zinc/69/24/72/549692472.db2.gz NHHWBZREDYLGBA-SCLBCKFNSA-N 0 3 358.486 2.397 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(CCc3cccs3)CC2)CC1 ZINC000264383980 549995207 /nfs/dbraw/zinc/99/52/07/549995207.db2.gz VIPZVKDDKNLGKB-UHFFFAOYSA-N 0 3 362.543 2.268 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(-n3ccnc3C)nc2)CC1 ZINC000264418423 549995997 /nfs/dbraw/zinc/99/59/97/549995997.db2.gz VZFHPEPIXQWDMM-UHFFFAOYSA-N 0 3 368.485 2.415 20 30 FEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264905912 550003532 /nfs/dbraw/zinc/00/35/32/550003532.db2.gz CWLZVYHCBGHXQU-QGZVFWFLSA-N 0 3 370.497 2.231 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000265902848 550015095 /nfs/dbraw/zinc/01/50/95/550015095.db2.gz DGXAUKTTXGQAEE-QGZVFWFLSA-N 0 3 373.884 2.297 20 30 FEEDHN Cc1ncsc1CCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000267032432 550027355 /nfs/dbraw/zinc/02/73/55/550027355.db2.gz BGZZPOQLIWDUGX-UHFFFAOYSA-N 0 3 374.510 2.288 20 30 FEEDHN C=CCOc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1OC ZINC000267145619 550028288 /nfs/dbraw/zinc/02/82/88/550028288.db2.gz VLEYZJJXAUKXHB-GOSISDBHSA-N 0 3 350.484 2.427 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000269021015 550145345 /nfs/dbraw/zinc/14/53/45/550145345.db2.gz IDQIKCKFPPPLII-SFHVURJKSA-N 0 3 366.469 2.432 20 30 FEEDHN N#CCc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000270871077 550315845 /nfs/dbraw/zinc/31/58/45/550315845.db2.gz ODHIQTHIZRYQQP-LEWJYISDSA-N 0 3 363.461 2.365 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000494104298 561462605 /nfs/dbraw/zinc/46/26/05/561462605.db2.gz BYTIGAYQXHHJER-FQEVSTJZSA-N 0 3 356.514 2.205 20 30 FEEDHN N#Cc1cc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c[nH]1 ZINC000272002546 550415328 /nfs/dbraw/zinc/41/53/28/550415328.db2.gz OKRQKPQXRWKBHJ-UHFFFAOYSA-N 0 3 356.401 2.299 20 30 FEEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000494487318 561470654 /nfs/dbraw/zinc/47/06/54/561470654.db2.gz QLAUWXMQQDDHBS-PKOBYXMFSA-N 0 3 374.485 2.109 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000274439215 550537680 /nfs/dbraw/zinc/53/76/80/550537680.db2.gz IKWPDJDMBVSAIR-JKSUJKDBSA-N 0 3 360.454 2.478 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(Cn2cncn2)CC1)C(C)C ZINC000275266839 550571304 /nfs/dbraw/zinc/57/13/04/550571304.db2.gz PYQGKGOHIKDIPF-IBGZPJMESA-N 0 3 374.533 2.398 20 30 FEEDHN CN(C)Cc1ccc(C(N)=NOCCOCC(F)(F)C(F)F)cc1 ZINC000276103723 550576841 /nfs/dbraw/zinc/57/68/41/550576841.db2.gz UAWYGXGIANACHB-UHFFFAOYSA-N 0 3 351.344 2.302 20 30 FEEDHN CN(C)CCOc1ccccc1N1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000276791475 550596444 /nfs/dbraw/zinc/59/64/44/550596444.db2.gz SUXZRNKEKGAAQO-UHFFFAOYSA-N 0 3 367.497 2.159 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000277664801 550698787 /nfs/dbraw/zinc/69/87/87/550698787.db2.gz GVIOLDFBYVCSCD-GOSISDBHSA-N 0 3 371.481 2.412 20 30 FEEDHN CC[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000278351268 550776078 /nfs/dbraw/zinc/77/60/78/550776078.db2.gz ZGZSCHPOQRPIGA-GOSISDBHSA-N 0 3 350.422 2.014 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(=O)[nH]c1 ZINC000278400011 550781473 /nfs/dbraw/zinc/78/14/73/550781473.db2.gz BJAKTEOEDQULLI-UHFFFAOYSA-N 0 3 352.438 2.182 20 30 FEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278758622 550818961 /nfs/dbraw/zinc/81/89/61/550818961.db2.gz BJJJNPUVGQEENY-INIZCTEOSA-N 0 3 357.502 2.407 20 30 FEEDHN CC(C)CC(=O)N1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279395665 550885396 /nfs/dbraw/zinc/88/53/96/550885396.db2.gz AWECLVDPBXIFRS-GOSISDBHSA-N 0 3 366.465 2.394 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000279455376 550892225 /nfs/dbraw/zinc/89/22/25/550892225.db2.gz ZSMFKZNDKYYFTJ-CVEARBPZSA-N 0 3 364.371 2.241 20 30 FEEDHN CC1([C@@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)OCCO1 ZINC000280412322 550990962 /nfs/dbraw/zinc/99/09/62/550990962.db2.gz WOWFWNNMBZTBFF-QZTJIDSGSA-N 0 3 353.422 2.242 20 30 FEEDHN Cc1cccc(OC[C@@H](O)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280485507 550999218 /nfs/dbraw/zinc/99/92/18/550999218.db2.gz VEUSGKBUJRNMIT-OALUTQOASA-N 0 3 363.417 2.105 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)CC1 ZINC000280535431 551005274 /nfs/dbraw/zinc/00/52/74/551005274.db2.gz PJFYDAWPMNHWIJ-UHFFFAOYSA-N 0 3 360.458 2.345 20 30 FEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@](C)(C(N)=O)C2)c1 ZINC000280714092 551024274 /nfs/dbraw/zinc/02/42/74/551024274.db2.gz JNDPKVJDJJWMTB-OXQOHEQNSA-N 0 3 356.470 2.136 20 30 FEEDHN CCOC(=O)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280863757 551040271 /nfs/dbraw/zinc/04/02/71/551040271.db2.gz QSVWAFYGPYJZDO-SFHVURJKSA-N 0 3 353.422 2.432 20 30 FEEDHN CN(CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000280902782 551044099 /nfs/dbraw/zinc/04/40/99/551044099.db2.gz MZNBSERVEXQUNS-MRXNPFEDSA-N 0 3 356.426 2.224 20 30 FEEDHN C=CCN1CC[C@@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)C1=O ZINC000281146004 551068118 /nfs/dbraw/zinc/06/81/18/551068118.db2.gz JPPMJKPGOKURIZ-HXUWFJFHSA-N 0 3 354.498 2.417 20 30 FEEDHN COCCN1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000282570205 551247362 /nfs/dbraw/zinc/24/73/62/551247362.db2.gz AZZRSDPWLMFHPG-ZDUSSCGKSA-N 0 3 372.347 2.299 20 30 FEEDHN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c(F)c1 ZINC000283086324 551309317 /nfs/dbraw/zinc/30/93/17/551309317.db2.gz YOSUACGRMOEXCJ-QWHCGFSZSA-N 0 3 363.408 2.121 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000283706314 551413095 /nfs/dbraw/zinc/41/30/95/551413095.db2.gz IWSWEYIYSBAHPS-IBGZPJMESA-N 0 3 355.482 2.411 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000284235806 551506526 /nfs/dbraw/zinc/50/65/26/551506526.db2.gz UFBUSEICPFKSTI-HNNXBMFYSA-N 0 3 359.470 2.029 20 30 FEEDHN Cn1c(CC#N)nnc1SC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000284218756 551506814 /nfs/dbraw/zinc/50/68/14/551506814.db2.gz MINFZWQWOVAOSM-MRXNPFEDSA-N 0 3 357.483 2.264 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(OCC)c2)CC1 ZINC000285616891 551783683 /nfs/dbraw/zinc/78/36/83/551783683.db2.gz ULGIPJSCTRMPOC-HNNXBMFYSA-N 0 3 359.470 2.029 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286026481 551840058 /nfs/dbraw/zinc/84/00/58/551840058.db2.gz AYQXMFKFPAUKTA-BZUAXINKSA-N 0 3 365.355 2.260 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000286735231 551920405 /nfs/dbraw/zinc/92/04/05/551920405.db2.gz RTPXBSUUZRYPEA-ICSRJNTNSA-N 0 3 369.509 2.281 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](CC)c2nc(C)cs2)CC1 ZINC000286813050 551928572 /nfs/dbraw/zinc/92/85/72/551928572.db2.gz VTKGPYYQFGCJNI-HNNXBMFYSA-N 0 3 364.515 2.176 20 30 FEEDHN N#CC1(C(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CCC1 ZINC000287604673 552024304 /nfs/dbraw/zinc/02/43/04/552024304.db2.gz YLMPCBWGQPMEGM-IBGZPJMESA-N 0 3 352.482 2.099 20 30 FEEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)o1 ZINC000288255167 552120209 /nfs/dbraw/zinc/12/02/09/552120209.db2.gz TUICSMWRCISEAV-UHFFFAOYSA-N 0 3 367.393 2.436 20 30 FEEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000288922398 552236501 /nfs/dbraw/zinc/23/65/01/552236501.db2.gz IDIYLMYTOXMODE-MRXNPFEDSA-N 0 3 372.469 2.250 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000289141485 552272441 /nfs/dbraw/zinc/27/24/41/552272441.db2.gz KCRDNKDTHSDNBR-HKUYNNGSSA-N 0 3 359.495 2.337 20 30 FEEDHN CN(C)Cc1ccccc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500665468 561578882 /nfs/dbraw/zinc/57/88/82/561578882.db2.gz ILAPMUBQLZIQFD-UHFFFAOYSA-N 0 3 361.442 2.379 20 30 FEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)N(C)Cc1ccccc1 ZINC000290232819 552446058 /nfs/dbraw/zinc/44/60/58/552446058.db2.gz LCAVDJPEFVACKK-CQSZACIVSA-N 0 3 368.412 2.273 20 30 FEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000500796250 561582679 /nfs/dbraw/zinc/58/26/79/561582679.db2.gz QHXZCHFPXMTTBY-MRXNPFEDSA-N 0 3 352.438 2.311 20 30 FEEDHN C[C@@H](c1ccccc1)[C@H](NCCC(=O)Nc1ccc(C#N)cc1)C(N)=O ZINC000292046164 552688076 /nfs/dbraw/zinc/68/80/76/552688076.db2.gz AVMCENFWQDFFMT-LIRRHRJNSA-N 0 3 350.422 2.134 20 30 FEEDHN C#CCN(C)CCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000294015560 552875383 /nfs/dbraw/zinc/87/53/83/552875383.db2.gz PZUDXDSJIDELFW-UHFFFAOYSA-N 0 3 354.454 2.116 20 30 FEEDHN C#CCN(C)CCCNC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000294120499 552883792 /nfs/dbraw/zinc/88/37/92/552883792.db2.gz ZPZIUTMKDJEATF-UHFFFAOYSA-N 0 3 353.422 2.324 20 30 FEEDHN C=CCN(CC=C)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000294983547 552949304 /nfs/dbraw/zinc/94/93/04/552949304.db2.gz SQOPRVYVTLROPT-MRXNPFEDSA-N 0 3 351.491 2.424 20 30 FEEDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295070684 552956106 /nfs/dbraw/zinc/95/61/06/552956106.db2.gz CMFIGULQYZHXBC-CYBMUJFWSA-N 0 3 353.463 2.189 20 30 FEEDHN CC(C)COC[C@@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000501969822 561609041 /nfs/dbraw/zinc/60/90/41/561609041.db2.gz PGAHDBSSWKBYSX-IBGZPJMESA-N 0 3 359.470 2.242 20 30 FEEDHN N#Cc1csc(CNC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 ZINC000502054438 561610951 /nfs/dbraw/zinc/61/09/51/561610951.db2.gz NBLZVLLEZBMODV-ROUUACIJSA-N 0 3 366.490 2.308 20 30 FEEDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000296159681 553114330 /nfs/dbraw/zinc/11/43/30/553114330.db2.gz UMKGZTQMTWAKAA-FSPWUOQZSA-N 0 3 367.453 2.332 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000296943530 553232878 /nfs/dbraw/zinc/23/28/78/553232878.db2.gz PJAWOWNBARELDM-LBPRGKRZSA-N 0 3 353.264 2.159 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC([C@H](F)C(=O)OCC)C1)C(C)C ZINC000297101617 553253249 /nfs/dbraw/zinc/25/32/49/553253249.db2.gz NNOJXDXFJMDMQW-SJORKVTESA-N 0 3 369.481 2.228 20 30 FEEDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000298292617 553408889 /nfs/dbraw/zinc/40/88/89/553408889.db2.gz PBYVACMTOICGQM-MOPGFXCFSA-N 0 3 358.438 2.227 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000299253885 553537277 /nfs/dbraw/zinc/53/72/77/553537277.db2.gz ZFFJZASWPDWGDI-HXUWFJFHSA-N 0 3 369.509 2.331 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](CNC(C)=O)C1)C(C)C ZINC000299349755 553551519 /nfs/dbraw/zinc/55/15/19/553551519.db2.gz QGMJBUOONXBJRB-RTBURBONSA-N 0 3 364.534 2.243 20 30 FEEDHN CCN1CCN([C@H](C)CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301520639 553657430 /nfs/dbraw/zinc/65/74/30/553657430.db2.gz LDPJNWLVMBLSKZ-CQSZACIVSA-N 0 3 368.441 2.453 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328760763 553818320 /nfs/dbraw/zinc/81/83/20/553818320.db2.gz XSLONVNNDHBRAF-GDBMZVCRSA-N 0 3 364.490 2.127 20 30 FEEDHN CCN1CCC(NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000328864791 553835357 /nfs/dbraw/zinc/83/53/57/553835357.db2.gz ZLYHBYZSFGTMQE-MRXNPFEDSA-N 0 3 373.453 2.252 20 30 FEEDHN O=C(NCCNC(=O)[C@@H]1CCCN1C1CCOCC1)NC1CCCCC1 ZINC000328944666 553850356 /nfs/dbraw/zinc/85/03/56/553850356.db2.gz UVKAXIGGYHIYDF-KRWDZBQOSA-N 0 3 366.506 2.423 20 30 FEEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000328947273 553850968 /nfs/dbraw/zinc/85/09/68/553850968.db2.gz GUBXXLVDZDQQKM-HIFRSBDPSA-N 0 3 354.458 2.487 20 30 FEEDHN CN1CCC2(CCCN2C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000329065554 553874361 /nfs/dbraw/zinc/87/43/61/553874361.db2.gz KXGWYOMHZDSVNC-UHFFFAOYSA-N 0 3 354.458 2.242 20 30 FEEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329093340 553879160 /nfs/dbraw/zinc/87/91/60/553879160.db2.gz ANFSSOFRUNNUHK-QWFCFKBJSA-N 0 3 359.470 2.103 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCO1 ZINC000329104716 553881056 /nfs/dbraw/zinc/88/10/56/553881056.db2.gz OEILPAMOMHHAIR-CRAIPNDOSA-N 0 3 361.486 2.214 20 30 FEEDHN CN1CC[C@H](NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@H]1c1ccccc1 ZINC000329107716 553881713 /nfs/dbraw/zinc/88/17/13/553881713.db2.gz DZJCNSKPVDYGCS-AJYBTWMASA-N 0 3 359.470 2.274 20 30 FEEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000329135160 553886946 /nfs/dbraw/zinc/88/69/46/553886946.db2.gz BZLDOQLHCWDRHW-CYBMUJFWSA-N 0 3 365.437 2.497 20 30 FEEDHN CN1CC[C@H](N2CCC(NC(=O)[C@H]3CCCN3C3CCCC3)CC2)C1=O ZINC000329200689 553901048 /nfs/dbraw/zinc/90/10/48/553901048.db2.gz WJFBPCDLNGUUES-MSOLQXFVSA-N 0 3 362.518 2.045 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000329242124 553909437 /nfs/dbraw/zinc/90/94/37/553909437.db2.gz SEDLXOOMOSTASG-KRWDZBQOSA-N 0 3 365.499 2.406 20 30 FEEDHN CN1CC[C@]2(CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)C1 ZINC000329250027 553910711 /nfs/dbraw/zinc/91/07/11/553910711.db2.gz XJIQXMBKVOJABN-UZLBHIALSA-N 0 3 362.518 2.109 20 30 FEEDHN C[C@H](NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O)C1=CCN(C)CC1 ZINC000329250492 553911152 /nfs/dbraw/zinc/91/11/52/553911152.db2.gz BAQBNUNRUPCPPT-WPKBUWHJSA-N 0 3 363.462 2.048 20 30 FEEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC000329311920 553923041 /nfs/dbraw/zinc/92/30/41/553923041.db2.gz ZXPQWLGASGIESA-OWCLPIDISA-N 0 3 373.563 2.071 20 30 FEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000329344768 553928970 /nfs/dbraw/zinc/92/89/70/553928970.db2.gz UJFJNIXZNHBVSL-XDNAFOTISA-N 0 3 353.507 2.027 20 30 FEEDHN CN1CCC[C@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000329383206 553935364 /nfs/dbraw/zinc/93/53/64/553935364.db2.gz OUUWPIPEJGXXQZ-UTKZUKDTSA-N 0 3 370.472 2.468 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)[C@H]2C1 ZINC000329417029 553942472 /nfs/dbraw/zinc/94/24/72/553942472.db2.gz FXVTYRFKVKLNFK-NUJGCVRESA-N 0 3 362.518 2.108 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC000329423212 553944000 /nfs/dbraw/zinc/94/40/00/553944000.db2.gz HSEWDRTZBIOOLE-QAPCUYQASA-N 0 3 356.470 2.494 20 30 FEEDHN NC(=O)c1ccc(NC(=O)CCN2CCN3CCOC[C@H]3C2)cc1Cl ZINC000329434095 553945772 /nfs/dbraw/zinc/94/57/72/553945772.db2.gz LIELNFIEMVZEIK-CYBMUJFWSA-N 0 3 366.849 2.218 20 30 FEEDHN O=C(N[C@H]1CCN(C2CC2)C1)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000329466335 553951874 /nfs/dbraw/zinc/95/18/74/553951874.db2.gz RXRLQPJTJQXZAA-STQMWFEESA-N 0 3 362.861 2.186 20 30 FEEDHN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@]12CCCO2 ZINC000329543239 553965213 /nfs/dbraw/zinc/96/52/13/553965213.db2.gz YFCBTECTXGOXIN-IMBTUZDBSA-N 0 3 352.475 2.313 20 30 FEEDHN COCCn1cc2c(n1)[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)CCC2 ZINC000329598497 553974655 /nfs/dbraw/zinc/97/46/55/553974655.db2.gz WKZJHOGHWHCBOW-DOTOQJQBSA-N 0 3 363.506 2.095 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)CCN1C ZINC000329645638 553981544 /nfs/dbraw/zinc/98/15/44/553981544.db2.gz DKDALMUFCPGZAD-VXGBXAGGSA-N 0 3 366.512 2.428 20 30 FEEDHN C[C@@H]1C[C@H](NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)CCN1C ZINC000329778508 554003992 /nfs/dbraw/zinc/00/39/92/554003992.db2.gz QDLGWSXFUOCOML-CRAIPNDOSA-N 0 3 358.486 2.278 20 30 FEEDHN C[C@@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[C@@H]1CCOC1 ZINC000329777269 554004150 /nfs/dbraw/zinc/00/41/50/554004150.db2.gz OWVPIVAJGOBDMR-YFHUEUNASA-N 0 3 353.507 2.147 20 30 FEEDHN CC[C@@H]1CN(C(=O)NCC[C@H](C)N2CCCCC2)C[C@H](C)S1(=O)=O ZINC000329776928 554004201 /nfs/dbraw/zinc/00/42/01/554004201.db2.gz ONLBYYDFILDYPP-HRCADAONSA-N 0 3 359.536 2.062 20 30 FEEDHN C[C@@H]1CC(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C[C@@H](C)O1 ZINC000329796543 554007420 /nfs/dbraw/zinc/00/74/20/554007420.db2.gz DWRMVIKJMIMMNJ-ARFHVFGLSA-N 0 3 353.507 2.289 20 30 FEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)CCN1C ZINC000329803283 554008409 /nfs/dbraw/zinc/00/84/09/554008409.db2.gz LCPRATNMPWPSOJ-AEFFLSMTSA-N 0 3 364.534 2.498 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329803893 554008530 /nfs/dbraw/zinc/00/85/30/554008530.db2.gz JYOZFCRTZIKBNA-RDPOXOKHSA-N 0 3 373.497 2.349 20 30 FEEDHN Cc1ccc(CC(=O)N2CCN(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)CC2)cc1 ZINC000329821909 554012250 /nfs/dbraw/zinc/01/22/50/554012250.db2.gz YWKWIWBAYJRMNR-IEBWSBKVSA-N 0 3 372.513 2.078 20 30 FEEDHN CN1CCC2(CCCN2C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000329852617 554019054 /nfs/dbraw/zinc/01/90/54/554019054.db2.gz UVRDRODBFGBOJT-UHFFFAOYSA-N 0 3 371.528 2.126 20 30 FEEDHN CCN1C(=O)CC[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)[C@H]1c1cnn(C)c1 ZINC000329884550 554024661 /nfs/dbraw/zinc/02/46/61/554024661.db2.gz SNZXBCQWAURDGP-CKNFYHOISA-N 0 3 373.501 2.159 20 30 FEEDHN C[C@@H]1CN(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC000330000252 554047312 /nfs/dbraw/zinc/04/73/12/554047312.db2.gz WCUNXVXVKKPHFL-SLYNCCJLSA-N 0 3 373.497 2.302 20 30 FEEDHN O=C(N[C@H]1CC[S@@](=O)C1)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000330023902 554051269 /nfs/dbraw/zinc/05/12/69/554051269.db2.gz JHMVIMRPAIKROM-CXCPJLFGSA-N 0 3 361.511 2.207 20 30 FEEDHN C[C@@H](NC(=O)N1CCC(c2nnc3n2CCCC3)CC1)C1=CCN(C)CC1 ZINC000330048634 554055132 /nfs/dbraw/zinc/05/51/32/554055132.db2.gz ISMAEMUHZJHYOI-OAHLLOKOSA-N 0 3 372.517 2.358 20 30 FEEDHN O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CCn2ccnc2C1 ZINC000330168684 554077442 /nfs/dbraw/zinc/07/74/42/554077442.db2.gz AYYJVWKJSCYGED-HNNXBMFYSA-N 0 3 363.531 2.063 20 30 FEEDHN CC(C(=O)N[C@H]1CCOC2(CCCC2)C1)S(=O)(=O)C1CCOCC1 ZINC000330202015 554084354 /nfs/dbraw/zinc/08/43/54/554084354.db2.gz YSPGHFVFVXBEBH-KGLIPLIRSA-N 0 3 359.488 2.417 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000330239578 554091073 /nfs/dbraw/zinc/09/10/73/554091073.db2.gz DVSHCYKCIREULM-QAPCUYQASA-N 0 3 359.470 2.089 20 30 FEEDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000330272352 554096946 /nfs/dbraw/zinc/09/69/46/554096946.db2.gz XNBDQMWQKOZCQE-QUCCMNQESA-N 0 3 371.481 2.139 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000330325417 554105383 /nfs/dbraw/zinc/10/53/83/554105383.db2.gz UPLINMHSFSGCKD-QGPMSJSTSA-N 0 3 351.491 2.043 20 30 FEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)CN1CCCCC1 ZINC000330325332 554105623 /nfs/dbraw/zinc/10/56/23/554105623.db2.gz JFVPFAVNNFESNB-SKDZVZGDSA-N 0 3 363.506 2.245 20 30 FEEDHN C[C@H](CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CCC[C@@H](C)C1 ZINC000330510804 554131697 /nfs/dbraw/zinc/13/16/97/554131697.db2.gz DRAKMAHYIINQAI-HUUCEWRRSA-N 0 3 367.515 2.362 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000330654888 554151538 /nfs/dbraw/zinc/15/15/38/554151538.db2.gz NHEJUQJMLKVATD-IRXDYDNUSA-N 0 3 366.550 2.418 20 30 FEEDHN COc1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)c(Br)c1 ZINC000330661439 554152799 /nfs/dbraw/zinc/15/27/99/554152799.db2.gz VPAUKQIJPRBYOU-LBPRGKRZSA-N 0 3 372.263 2.266 20 30 FEEDHN CN1CC=C(CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000330689606 554157747 /nfs/dbraw/zinc/15/77/47/554157747.db2.gz PPYXGVDEFSUVGL-UHFFFAOYSA-N 0 3 372.878 2.299 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000330707649 554160998 /nfs/dbraw/zinc/16/09/98/554160998.db2.gz MGZVOBIMDTVYOR-HNNXBMFYSA-N 0 3 353.488 2.116 20 30 FEEDHN CCNC(=O)NC(=O)[C@H](C)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000330833244 554176946 /nfs/dbraw/zinc/17/69/46/554176946.db2.gz HMHDPNZLFUFOOX-MAZHCROVSA-N 0 3 351.422 2.416 20 30 FEEDHN C[C@H](C[S@](C)=O)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000330847730 554178725 /nfs/dbraw/zinc/17/87/25/554178725.db2.gz ORIIMCKPBHNZSO-AFMOOPCPSA-N 0 3 351.516 2.168 20 30 FEEDHN CS[C@H]1CN(C(=O)Nc2cccc(OCC(F)F)n2)C[C@H]1N(C)C ZINC000330922224 554189197 /nfs/dbraw/zinc/18/91/97/554189197.db2.gz RBJITWINUYOZEN-MNOVXSKESA-N 0 3 360.430 2.248 20 30 FEEDHN CCC1(CC)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1(=O)=O ZINC000330999215 554199497 /nfs/dbraw/zinc/19/94/97/554199497.db2.gz JFXAVRYGGKORLC-KRWDZBQOSA-N 0 3 373.478 2.056 20 30 FEEDHN CN(C)[C@]1(CNC(=O)Nc2cn(C)nc2C(F)(F)F)CCSC1 ZINC000331334940 554247761 /nfs/dbraw/zinc/24/77/61/554247761.db2.gz XIZYDDDRYURERE-LBPRGKRZSA-N 0 3 351.398 2.202 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C[C@H]1N1CCCC1 ZINC000331543525 554282835 /nfs/dbraw/zinc/28/28/35/554282835.db2.gz IFGRIUZATLCPQT-BMGDILEWSA-N 0 3 359.495 2.364 20 30 FEEDHN CCN(CC)[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)Cc1ccccc1 ZINC000509420939 561798770 /nfs/dbraw/zinc/79/87/70/561798770.db2.gz YSURTONXBIHKAG-WMZOPIPTSA-N 0 3 366.531 2.008 20 30 FEEDHN CS[C@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1N1CCCC1 ZINC000333074897 554568396 /nfs/dbraw/zinc/56/83/96/554568396.db2.gz DGANZCVAIZQEER-CVEARBPZSA-N 0 3 371.572 2.302 20 30 FEEDHN C=CCOC[C@H]1NC(=O)N(C[C@]2(C)CCCN2Cc2ccccc2)C1=O ZINC000348391853 554683817 /nfs/dbraw/zinc/68/38/17/554683817.db2.gz RBHBICAESHCREQ-XLIONFOSSA-N 0 3 357.454 2.164 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C2CCN([C@H](C)c3ccccc3)CC2)C1=O ZINC000348506053 554687580 /nfs/dbraw/zinc/68/75/80/554687580.db2.gz JRTVDCZHMIQHMD-QAPCUYQASA-N 0 3 357.454 2.335 20 30 FEEDHN C=CCNC(=O)Cc1noc([C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000350527321 554795378 /nfs/dbraw/zinc/79/53/78/554795378.db2.gz OLIXOQATUWPBOT-GHMZBOCLSA-N 0 3 360.380 2.291 20 30 FEEDHN Cn1cc(CN2CCC3(CCOC3=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000360669974 554884517 /nfs/dbraw/zinc/88/45/17/554884517.db2.gz GGQXNWHGHLUWNY-UHFFFAOYSA-N 0 3 350.422 2.488 20 30 FEEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)N(CCC#N)CCC#N ZINC000363135504 555038045 /nfs/dbraw/zinc/03/80/45/555038045.db2.gz VQOJRXCOFNWNDB-LJQANCHMSA-N 0 3 367.497 2.239 20 30 FEEDHN C=CCN(CC(=O)NCc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363184553 555048195 /nfs/dbraw/zinc/04/81/95/555048195.db2.gz ATMMFNLMYSRARM-NRFANRHFSA-N 0 3 364.493 2.460 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000363336485 555080601 /nfs/dbraw/zinc/08/06/01/555080601.db2.gz FTRDEGXKJFBOPD-CQSZACIVSA-N 0 3 373.400 2.436 20 30 FEEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)nc1 ZINC000363584800 555141870 /nfs/dbraw/zinc/14/18/70/555141870.db2.gz CMMVXQHXPMUREO-RYQLBKOJSA-N 0 3 358.486 2.299 20 30 FEEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)nc1 ZINC000363584798 555141911 /nfs/dbraw/zinc/14/19/11/555141911.db2.gz CMMVXQHXPMUREO-CGTJXYLNSA-N 0 3 358.486 2.299 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000363858138 555200629 /nfs/dbraw/zinc/20/06/29/555200629.db2.gz QYXFNFOIUSSFJY-MSOLQXFVSA-N 0 3 350.422 2.337 20 30 FEEDHN Cc1cccc(S(=O)(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)c1C#N ZINC000364291715 555286035 /nfs/dbraw/zinc/28/60/35/555286035.db2.gz OXSTVYCIIXIDJL-IAGOWNOFSA-N 0 3 359.426 2.121 20 30 FEEDHN C#CCOc1ccccc1NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000364322492 555291204 /nfs/dbraw/zinc/29/12/04/555291204.db2.gz FNSOIEJGLYEDOH-UHFFFAOYSA-N 0 3 357.454 2.417 20 30 FEEDHN C#CCN1CCC(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000364664064 555367465 /nfs/dbraw/zinc/36/74/65/555367465.db2.gz SPJMJPNRTHATNF-UHFFFAOYSA-N 0 3 355.413 2.485 20 30 FEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000364922863 555438871 /nfs/dbraw/zinc/43/88/71/555438871.db2.gz WOCOFWZMYZIVDB-OALUTQOASA-N 0 3 366.550 2.444 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCN(c3cnccn3)CC2)CC1 ZINC000365169972 555500995 /nfs/dbraw/zinc/50/09/95/555500995.db2.gz IGUZSTWJWZGUJS-UHFFFAOYSA-N 0 3 372.517 2.127 20 30 FEEDHN CN(C)C1(CNC(=O)Cc2c(F)cccc2C#N)Cc2ccccc2C1 ZINC000513282105 561932037 /nfs/dbraw/zinc/93/20/37/561932037.db2.gz WDVPBKTZPHPSTD-UHFFFAOYSA-N 0 3 351.425 2.455 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2nccn21 ZINC000365886978 555692901 /nfs/dbraw/zinc/69/29/01/555692901.db2.gz SFIDMLDUHLTVQI-SFHVURJKSA-N 0 3 351.454 2.223 20 30 FEEDHN N#Cc1ccc(-n2ccc(NC(=O)C3CCN(C4CC4)CC3)n2)c(F)c1 ZINC000365977360 555716266 /nfs/dbraw/zinc/71/62/66/555716266.db2.gz RAMZJMFTEGPSSW-UHFFFAOYSA-N 0 3 353.401 2.696 20 30 FEEDHN N#Cc1cc([N+](=O)[O-])ccc1NCCCN1CCN(c2ccncc2)CC1 ZINC000514213502 561964012 /nfs/dbraw/zinc/96/40/12/561964012.db2.gz GXTBHRDISQGHMP-UHFFFAOYSA-N 0 3 366.425 2.486 20 30 FEEDHN C=CCN1CC[C@H](N2CCC3(C[C@H]3c3nnc4n3CCCCC4)CC2)C1=O ZINC000367181772 556003149 /nfs/dbraw/zinc/00/31/49/556003149.db2.gz SLJAFXCQJHGZSQ-IRXDYDNUSA-N 0 3 369.513 2.361 20 30 FEEDHN C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000367436890 556048392 /nfs/dbraw/zinc/04/83/92/556048392.db2.gz TVVGIJAWFBRXHI-ZBFHGGJFSA-N 0 3 372.904 2.322 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@H]2[C@@H]1c1ccccc1 ZINC000367708602 556120065 /nfs/dbraw/zinc/12/00/65/556120065.db2.gz VFRYSNKGNLUDBW-KURKYZTESA-N 0 3 361.511 2.491 20 30 FEEDHN COc1ccc(C#N)cc1CN1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368223372 556252252 /nfs/dbraw/zinc/25/22/52/556252252.db2.gz UJFPTLLREYTSOZ-UHFFFAOYSA-N 0 3 356.514 2.416 20 30 FEEDHN C=CCN(C(=O)NCCc1nc(C)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368437578 556309296 /nfs/dbraw/zinc/30/92/96/556309296.db2.gz VLUHTLGOJFTUBH-SFHVURJKSA-N 0 3 369.469 2.393 20 30 FEEDHN N#CCCN(C(=O)CN1CCCC[C@H]1C(=N)NO)c1cccc(Cl)c1 ZINC000368523272 556334909 /nfs/dbraw/zinc/33/49/09/556334909.db2.gz DQRXYOVOWSUQQC-HNNXBMFYSA-N 0 3 363.849 2.397 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)CC1 ZINC000369073235 556497532 /nfs/dbraw/zinc/49/75/32/556497532.db2.gz GWOMXWIFBRDCRL-KRWDZBQOSA-N 0 3 362.518 2.071 20 30 FEEDHN CCCN1CCN(C2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000369152815 556517925 /nfs/dbraw/zinc/51/79/25/556517925.db2.gz ALUYMFSRBUCGME-UHFFFAOYSA-N 0 3 354.498 2.385 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)s1 ZINC000369179546 556527403 /nfs/dbraw/zinc/52/74/03/556527403.db2.gz SXCREYVYZCJENQ-SWLSCSKDSA-N 0 3 351.497 2.257 20 30 FEEDHN CC(=O)c1ccc(NC(=O)CCN2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000369311538 556571965 /nfs/dbraw/zinc/57/19/65/556571965.db2.gz HNGLIAAWGMUVKU-UHFFFAOYSA-N 0 3 366.425 2.018 20 30 FEEDHN CN1CCN(CC2(C)CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000369400499 556591355 /nfs/dbraw/zinc/59/13/55/556591355.db2.gz XLLRFICYVXNAHD-UHFFFAOYSA-N 0 3 357.458 2.320 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C(=O)CC)CC1 ZINC000369403713 556592487 /nfs/dbraw/zinc/59/24/87/556592487.db2.gz WGXNXHSPKADGJD-ZWKOTPCHSA-N 0 3 362.518 2.212 20 30 FEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000369406166 556593344 /nfs/dbraw/zinc/59/33/44/556593344.db2.gz IKFBZXTWVIMVHQ-MOPGFXCFSA-N 0 3 359.433 2.421 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(OC3CCOCC3)CC2)CC1 ZINC000369605505 556645370 /nfs/dbraw/zinc/64/53/70/556645370.db2.gz LFQLPEBKFPJHMY-UHFFFAOYSA-N 0 3 365.518 2.397 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000516306737 562039351 /nfs/dbraw/zinc/03/93/51/562039351.db2.gz UNLCNXZCOITINF-HUUCEWRRSA-N 0 3 372.469 2.275 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000369677308 556665816 /nfs/dbraw/zinc/66/58/16/556665816.db2.gz DVGMLZXGUHUZMJ-YZGWKJHDSA-N 0 3 367.474 2.482 20 30 FEEDHN C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCN1C ZINC000369859240 556714075 /nfs/dbraw/zinc/71/40/75/556714075.db2.gz AFIUAKXDZKPIJW-YJBOKZPZSA-N 0 3 370.501 2.046 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@@H](N(C)C)C3)C2)n1 ZINC000369935751 556734836 /nfs/dbraw/zinc/73/48/36/556734836.db2.gz JIWYRLADANLQNL-QZTJIDSGSA-N 0 3 355.486 2.031 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@H](C)N(C)C3CC3)C2)n1 ZINC000369938360 556735911 /nfs/dbraw/zinc/73/59/11/556735911.db2.gz UOERWBSKPGCXHK-DOTOQJQBSA-N 0 3 355.486 2.077 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000370062038 556770822 /nfs/dbraw/zinc/77/08/22/556770822.db2.gz XCZKKVKMTGBBBE-UHFFFAOYSA-N 0 3 368.397 2.329 20 30 FEEDHN CN(C)C(=O)c1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH]1 ZINC000370256292 556822953 /nfs/dbraw/zinc/82/29/53/556822953.db2.gz MGWPIIRKEPYBPJ-INIZCTEOSA-N 0 3 369.444 2.486 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(CC(C)C)CC1 ZINC000370478743 556884870 /nfs/dbraw/zinc/88/48/70/556884870.db2.gz WTYXILDDFYBRID-UHFFFAOYSA-N 0 3 372.469 2.086 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370521877 556898526 /nfs/dbraw/zinc/89/85/26/556898526.db2.gz IWOXKVPUPOLJMA-CRAIPNDOSA-N 0 3 350.422 2.377 20 30 FEEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370522528 556899101 /nfs/dbraw/zinc/89/91/01/556899101.db2.gz LUVHTILPAONKDN-LJQANCHMSA-N 0 3 363.465 2.436 20 30 FEEDHN CCOC(=O)c1cccc(OC[C@H](O)CNCc2ccc(C#N)c(F)c2)c1 ZINC000516965572 562068196 /nfs/dbraw/zinc/06/81/96/562068196.db2.gz BTGIEGPLHOJCDF-QGZVFWFLSA-N 0 3 372.396 2.404 20 30 FEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000517127498 562076739 /nfs/dbraw/zinc/07/67/39/562076739.db2.gz MVIBGGDYIIFHGG-KRWDZBQOSA-N 0 3 358.417 2.309 20 30 FEEDHN C#CC[C@@H](C)NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000371057751 557061038 /nfs/dbraw/zinc/06/10/38/557061038.db2.gz XLXUDXZQKBEPAS-MOPGFXCFSA-N 0 3 369.513 2.037 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000371288637 557132667 /nfs/dbraw/zinc/13/26/67/557132667.db2.gz ZQDKJSCRDVTUDG-LJQANCHMSA-N 0 3 354.454 2.292 20 30 FEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000517375342 562087648 /nfs/dbraw/zinc/08/76/48/562087648.db2.gz UZMKTAIERDQZLT-PBHICJAKSA-N 0 3 371.462 2.284 20 30 FEEDHN N#Cc1cccc(CNC(=O)CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000371384577 557169122 /nfs/dbraw/zinc/16/91/22/557169122.db2.gz LWTXUNQYCASVGI-KRWDZBQOSA-N 0 3 364.453 2.050 20 30 FEEDHN C=CCN(C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C1CC1 ZINC000371387419 557170378 /nfs/dbraw/zinc/17/03/78/557170378.db2.gz IMKRFMYFQPLHMF-UHFFFAOYSA-N 0 3 351.454 2.354 20 30 FEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000371558728 557222075 /nfs/dbraw/zinc/22/20/75/557222075.db2.gz BEHATCLKMLPFID-FQEVSTJZSA-N 0 3 366.509 2.482 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@H](c2ccccc2OC)N(C)C)CC1 ZINC000519292815 562128707 /nfs/dbraw/zinc/12/87/07/562128707.db2.gz JCNAQJXFZHVFRX-GOSISDBHSA-N 0 3 360.502 2.248 20 30 FEEDHN C=CCN(C(=O)c1ccc(C(N)=O)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372602685 557517602 /nfs/dbraw/zinc/51/76/02/557517602.db2.gz WQMKAZFRRCKMCS-GOSISDBHSA-N 0 3 364.449 2.083 20 30 FEEDHN N#Cc1ccc([C@@H](O)CN2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000372809117 557566022 /nfs/dbraw/zinc/56/60/22/557566022.db2.gz WPMSNHNNZFXJSO-SFHVURJKSA-N 0 3 350.422 2.337 20 30 FEEDHN C=CCN(C(=O)c1cccc(=O)n1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372878466 557581009 /nfs/dbraw/zinc/58/10/09/557581009.db2.gz GSBHXBVCADWMSA-GOSISDBHSA-N 0 3 351.450 2.288 20 30 FEEDHN N#Cc1ncn(C2CCN(CCC(=O)NCc3ccccc3Cl)CC2)n1 ZINC000373415603 557689496 /nfs/dbraw/zinc/68/94/96/557689496.db2.gz ZQCRSTMHPSWRGG-UHFFFAOYSA-N 0 3 372.860 2.147 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)NC[C@H]1CN(C2CC2)CCO1 ZINC000374222362 557845647 /nfs/dbraw/zinc/84/56/47/557845647.db2.gz KPFGSLRWCZHTMD-RDJZCZTQSA-N 0 3 363.527 2.104 20 30 FEEDHN C[C@@H]1C[C@@H](CNS(=O)(=O)c2cccnc2C#N)CN1Cc1ccccc1 ZINC000375440150 558027782 /nfs/dbraw/zinc/02/77/82/558027782.db2.gz YLRPOVXZKUUUTA-WBVHZDCISA-N 0 3 370.478 2.142 20 30 FEEDHN CN1CCC[C@H](N2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C1 ZINC000375694419 558068697 /nfs/dbraw/zinc/06/86/97/558068697.db2.gz XFJHVKZKBYJBQA-IBGZPJMESA-N 0 3 354.498 2.340 20 30 FEEDHN CN1CCN(C[C@H]2CCCN(c3nc4cc(Cl)ccn4c3C#N)C2)CC1 ZINC000376188041 558138602 /nfs/dbraw/zinc/13/86/02/558138602.db2.gz OOTOLTVYZTWHHQ-OAHLLOKOSA-N 0 3 372.904 2.323 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000376626797 558199601 /nfs/dbraw/zinc/19/96/01/558199601.db2.gz IHXXVJUXXDNMNY-MPESAESLSA-N 0 3 363.439 2.061 20 30 FEEDHN COC(=O)[C@@H](NC[C@@H]1CCN(C)[C@H]1c1cccnc1)c1cccc(C#N)c1 ZINC000376691140 558209316 /nfs/dbraw/zinc/20/93/16/558209316.db2.gz RNZJHLCJVNYGGU-UFYCRDLUSA-N 0 3 364.449 2.450 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)O[C@@]3(CCOC3)C2)CC1 ZINC000377075204 558260809 /nfs/dbraw/zinc/26/08/09/558260809.db2.gz XRONSJPFMRRLDU-MJGOQNOKSA-N 0 3 351.491 2.006 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCc3cc(OC)c(OC)cc3CC2)CC1 ZINC000377576356 558369118 /nfs/dbraw/zinc/36/91/18/558369118.db2.gz XYKYUCPOXUPHNJ-UHFFFAOYSA-N 0 3 373.497 2.464 20 30 FEEDHN COCCCN(C)CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000377881075 558440946 /nfs/dbraw/zinc/44/09/46/558440946.db2.gz USDBDFDFQSXYJI-OALUTQOASA-N 0 3 358.486 2.436 20 30 FEEDHN Cc1cc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)n(CCC#N)n1 ZINC000523340559 562211553 /nfs/dbraw/zinc/21/15/53/562211553.db2.gz JSQNHMNSSJQNRZ-QGZVFWFLSA-N 0 3 352.442 2.351 20 30 FEEDHN C#CCOc1ccccc1CN(C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000378349268 558535194 /nfs/dbraw/zinc/53/51/94/558535194.db2.gz IVYMQZHFNOGZEB-UHFFFAOYSA-N 0 3 369.509 2.217 20 30 FEEDHN C#CCOc1ccccc1CN1C[C@@H]2CN(Cc3noc(CC)n3)C[C@@H]2C1 ZINC000378349348 558535715 /nfs/dbraw/zinc/53/57/15/558535715.db2.gz JOHWRTAUXMHTCF-HDICACEKSA-N 0 3 366.465 2.208 20 30 FEEDHN CC(C#N)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000524071047 562223717 /nfs/dbraw/zinc/22/37/17/562223717.db2.gz XRWQGDRUPBQJGC-NSHDSACASA-N 0 3 352.232 2.073 20 30 FEEDHN COC(=O)C1CCN(CCCNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000409731961 558717142 /nfs/dbraw/zinc/71/71/42/558717142.db2.gz LWYSXIDTVGPMHW-UHFFFAOYSA-N 0 3 370.375 2.659 20 30 FEEDHN Cc1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2)ccc1OCCN(C)C ZINC000411675995 558941528 /nfs/dbraw/zinc/94/15/28/558941528.db2.gz OZJJNAYADFMJTM-UHFFFAOYSA-N 0 3 366.421 2.384 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000411800033 558965508 /nfs/dbraw/zinc/96/55/08/558965508.db2.gz YWVRQFCOBTYUIA-GQIGUUNPSA-N 0 3 360.454 2.204 20 30 FEEDHN C[C@H](CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)N(C)C1CC1 ZINC000525849223 562257251 /nfs/dbraw/zinc/25/72/51/562257251.db2.gz XLUKDLQSXVGGAS-MXWWQKGMSA-N 0 3 371.485 2.425 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)n1C ZINC000412673006 559049842 /nfs/dbraw/zinc/04/98/42/559049842.db2.gz MPKATWXTVXXCSC-YLJYHZDGSA-N 0 3 366.465 2.164 20 30 FEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000412673987 559049979 /nfs/dbraw/zinc/04/99/79/559049979.db2.gz NSMUGLNQFCQUKM-UYAOXDASSA-N 0 3 364.449 2.220 20 30 FEEDHN Cc1cc(NCCCN2CCC[C@@H]2C(=O)N(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413109812 559078954 /nfs/dbraw/zinc/07/89/54/559078954.db2.gz NOWPJBVDAFELQZ-MRXNPFEDSA-N 0 3 359.430 2.130 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000413521753 559113908 /nfs/dbraw/zinc/11/39/08/559113908.db2.gz ZOELAKGWBAXJBA-LJQANCHMSA-N 0 3 358.530 2.499 20 30 FEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc(Br)ccc1C ZINC000414431141 559163586 /nfs/dbraw/zinc/16/35/86/559163586.db2.gz XWYSNOQIHLPBAY-LLVKDONJSA-N 0 3 360.273 2.363 20 30 FEEDHN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415176376 559212070 /nfs/dbraw/zinc/21/20/70/559212070.db2.gz XYAKEARWAKATKI-UHFFFAOYSA-N 0 3 371.412 2.260 20 30 FEEDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnn(C)c1C#N ZINC000527251304 562282336 /nfs/dbraw/zinc/28/23/36/562282336.db2.gz BUIGKOGWNVXGSX-MRXNPFEDSA-N 0 3 367.453 2.124 20 30 FEEDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415424607 559234780 /nfs/dbraw/zinc/23/47/80/559234780.db2.gz IMUBFMJRUXDTLD-LBPRGKRZSA-N 0 3 356.348 2.005 20 30 FEEDHN CN(C)CCN1CCC(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419402593 559440781 /nfs/dbraw/zinc/44/07/81/559440781.db2.gz CHUWWTBHCOZBMN-FQEVSTJZSA-N 0 3 369.513 2.261 20 30 FEEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419794815 559459585 /nfs/dbraw/zinc/45/95/85/559459585.db2.gz HSJOBUIJIIXAAY-ZDUSSCGKSA-N 0 3 360.483 2.087 20 30 FEEDHN CC(C)(CC#N)CNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000422294091 559576262 /nfs/dbraw/zinc/57/62/62/559576262.db2.gz BISZLSVLZAUMES-NRFANRHFSA-N 0 3 370.497 2.213 20 30 FEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422343171 559580021 /nfs/dbraw/zinc/58/00/21/559580021.db2.gz SGPJNNMNURFVAA-AEFFLSMTSA-N 0 3 370.497 2.069 20 30 FEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000422520515 559592647 /nfs/dbraw/zinc/59/26/47/559592647.db2.gz CFUDUZUABCQCOR-PMACEKPBSA-N 0 3 369.509 2.377 20 30 FEEDHN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H](N)CCCC#N ZINC000424072231 559653798 /nfs/dbraw/zinc/65/37/98/559653798.db2.gz CWTIOKCHUFOCJN-CYBMUJFWSA-N 0 3 357.241 2.411 20 30 FEEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccc(Br)cc1 ZINC000424124174 559655504 /nfs/dbraw/zinc/65/55/04/559655504.db2.gz LZOSPLQEKJJWJS-SMDDNHRTSA-N 0 3 354.248 2.354 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000424137807 559655995 /nfs/dbraw/zinc/65/59/95/559655995.db2.gz MEPFJFOYKQVCPK-RTBURBONSA-N 0 3 364.449 2.374 20 30 FEEDHN COc1ccc([C@@H](CNC(=O)[C@H](N)CCCC#N)N2CCCCC2)cc1 ZINC000424144376 559656088 /nfs/dbraw/zinc/65/60/88/559656088.db2.gz XJRKGJSRVGYNOD-RTBURBONSA-N 0 3 358.486 2.360 20 30 FEEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1OCC(=O)N1CCCC1 ZINC000424206136 559657817 /nfs/dbraw/zinc/65/78/17/559657817.db2.gz WRBYLYJQARFUBY-DOTOQJQBSA-N 0 3 357.454 2.478 20 30 FEEDHN C=CCC1(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCOCC1 ZINC000424753839 559675648 /nfs/dbraw/zinc/67/56/48/559675648.db2.gz BYXCSVUEHNIWAS-IBGZPJMESA-N 0 3 358.482 2.242 20 30 FEEDHN C=CCn1cc(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)nn1 ZINC000425435620 559702115 /nfs/dbraw/zinc/70/21/15/559702115.db2.gz TXWAXUKSEBGATD-HNNXBMFYSA-N 0 3 374.514 2.237 20 30 FEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425500128 559706099 /nfs/dbraw/zinc/70/60/99/559706099.db2.gz LEYIDSWJPJCARK-ZVDOUQERSA-N 0 3 354.498 2.247 20 30 FEEDHN CC[NH+](CC)Cc1cccc(C[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428243730 559772210 /nfs/dbraw/zinc/77/22/10/559772210.db2.gz CFCLPSBDUXRZQR-UHFFFAOYSA-N 0 3 358.467 2.274 20 30 FEEDHN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC000428549548 559777853 /nfs/dbraw/zinc/77/78/53/559777853.db2.gz QBCMAOGHUXGAAI-FPOVZHCZSA-N 0 3 374.444 2.446 20 30 FEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000429721674 559804512 /nfs/dbraw/zinc/80/45/12/559804512.db2.gz RRQNRKBBILSILJ-UHFFFAOYSA-N 0 3 366.469 2.122 20 30 FEEDHN N#Cc1ccc(C(F)(F)F)nc1NCC(=O)NCCN1CCCCCC1 ZINC000431495566 559840253 /nfs/dbraw/zinc/84/02/53/559840253.db2.gz PFJIUDAVQBFUSM-UHFFFAOYSA-N 0 3 369.391 2.376 20 30 FEEDHN COc1ccc(C(=O)NCCNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433298539 559876254 /nfs/dbraw/zinc/87/62/54/559876254.db2.gz AAGWKCMCRFBYNK-GOSISDBHSA-N 0 3 365.433 2.314 20 30 FEEDHN CCN1CCN(CCCCNC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433354338 559878109 /nfs/dbraw/zinc/87/81/09/559878109.db2.gz NYPVETXORIFLTB-FQEVSTJZSA-N 0 3 356.514 2.293 20 30 FEEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434739663 559908383 /nfs/dbraw/zinc/90/83/83/559908383.db2.gz WLCAZRISPNKDLG-UFYCRDLUSA-N 0 3 363.465 2.104 20 30 FEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000437986898 559972596 /nfs/dbraw/zinc/97/25/96/559972596.db2.gz NTEOJTYOGDJWKO-FUHWJXTLSA-N 0 3 353.507 2.156 20 30 FEEDHN CN(C)CC1(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCC1 ZINC000439379056 559993217 /nfs/dbraw/zinc/99/32/17/559993217.db2.gz KETNBAWFJTXWPL-UHFFFAOYSA-N 0 3 372.860 3.003 20 30 FEEDHN CCC(CC)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)N(C)C ZINC000440085885 560004494 /nfs/dbraw/zinc/00/44/94/560004494.db2.gz DKIOHZOGVADGDV-QGZVFWFLSA-N 0 3 355.479 2.483 20 30 FEEDHN Cc1cc(CNC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)ccc1C#N ZINC000443988882 560098634 /nfs/dbraw/zinc/09/86/34/560098634.db2.gz PKXHDZNOCHAAPT-SFHVURJKSA-N 0 3 365.433 2.281 20 30 FEEDHN Cc1nc(C)n(CCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000448723826 560196522 /nfs/dbraw/zinc/19/65/22/560196522.db2.gz CGYKRMDBVOYQLQ-UHFFFAOYSA-N 0 3 368.485 2.137 20 30 FEEDHN C[C@@H]1CN(CCCCNc2ncc(Br)cc2C#N)C[C@@H](C)O1 ZINC000450374413 560260409 /nfs/dbraw/zinc/26/04/09/560260409.db2.gz FJYRQJPGXVWHND-CHWSQXEVSA-N 0 3 367.291 3.017 20 30 FEEDHN CC(C)N1CCN(C2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)CC1 ZINC000450410886 560261630 /nfs/dbraw/zinc/26/16/30/560261630.db2.gz NMTOCLYZPLDFHU-UHFFFAOYSA-N 0 3 357.458 2.461 20 30 FEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1COCCO1 ZINC000450746906 560272048 /nfs/dbraw/zinc/27/20/48/560272048.db2.gz SATONRNBXQEQCE-OAHLLOKOSA-N 0 3 352.504 2.000 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000450856483 560275850 /nfs/dbraw/zinc/27/58/50/560275850.db2.gz ITVUTTZDZNRCFC-RCCFBDPRSA-N 0 3 360.479 2.269 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000451669419 560321032 /nfs/dbraw/zinc/32/10/32/560321032.db2.gz ASLSVOAZRPWYBU-RTWAWAEBSA-N 0 3 371.525 2.353 20 30 FEEDHN C[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN(Cc2ccccc2)C1 ZINC000451706072 560323427 /nfs/dbraw/zinc/32/34/27/560323427.db2.gz JRKFHOLUSKXZNO-UWJYYQICSA-N 0 3 354.498 2.249 20 30 FEEDHN CN(CC(=O)NC1(C#N)CCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000452035447 560347025 /nfs/dbraw/zinc/34/70/25/560347025.db2.gz GLXOMZWMTWKWND-UHFFFAOYSA-N 0 3 360.424 2.288 20 30 FEEDHN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453448474 560386937 /nfs/dbraw/zinc/38/69/37/560386937.db2.gz CLUYYQUWHSYBFC-IAGOWNOFSA-N 0 3 365.522 2.497 20 30 FEEDHN C=CCn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453449486 560387014 /nfs/dbraw/zinc/38/70/14/560387014.db2.gz QBJOBDYJGHAYFI-MRXNPFEDSA-N 0 3 362.522 2.301 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)C(C)C ZINC000453592265 560390145 /nfs/dbraw/zinc/39/01/45/560390145.db2.gz HTGHXVREQWQTCU-KRWDZBQOSA-N 0 3 369.469 2.015 20 30 FEEDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453706820 560398411 /nfs/dbraw/zinc/39/84/11/560398411.db2.gz GHSHYDGFBHGVAX-GXTWGEPZSA-N 0 3 360.845 2.040 20 30 FEEDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453751639 560401559 /nfs/dbraw/zinc/40/15/59/560401559.db2.gz NSVXVKJPBKEZNZ-UHFFFAOYSA-N 0 3 372.469 2.227 20 30 FEEDHN C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000453880440 560410304 /nfs/dbraw/zinc/41/03/04/560410304.db2.gz MEZAUISBHDQDSY-UHFFFAOYSA-N 0 3 372.513 2.484 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000455836567 560496893 /nfs/dbraw/zinc/49/68/93/560496893.db2.gz JYIQEKYNMUHHNS-UHFFFAOYSA-N 0 3 355.435 2.001 20 30 FEEDHN CN(C)CC(C)(C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000457238780 560557508 /nfs/dbraw/zinc/55/75/08/560557508.db2.gz MHMYFKIGANFAIH-UHFFFAOYSA-N 0 3 354.248 2.156 20 30 FEEDHN C[C@H](Cc1cnn(C)c1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000457446411 560567181 /nfs/dbraw/zinc/56/71/81/560567181.db2.gz DTMYDKQXXGEMLK-MRXNPFEDSA-N 0 3 353.470 2.061 20 30 FEEDHN C=CCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000459907101 560718494 /nfs/dbraw/zinc/71/84/94/560718494.db2.gz KOKQHYWEMGCPFE-NRFANRHFSA-N 0 3 355.482 2.146 20 30 FEEDHN CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000460054005 560731909 /nfs/dbraw/zinc/73/19/09/560731909.db2.gz MXAUTOMCQABTHN-ZIFCJYIRSA-N 0 3 370.497 2.288 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000460059300 560732320 /nfs/dbraw/zinc/73/23/20/560732320.db2.gz MMQGEOKWMMKMHC-UHFFFAOYSA-N 0 3 351.878 2.265 20 30 FEEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000460067412 560732814 /nfs/dbraw/zinc/73/28/14/560732814.db2.gz PTKUDNOLVKPTLQ-HXUWFJFHSA-N 0 3 369.509 2.331 20 30 FEEDHN C=C(C)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1C(C)(C)C ZINC000460944726 560756767 /nfs/dbraw/zinc/75/67/67/560756767.db2.gz SBLYHTCHFZUQFT-KRWDZBQOSA-N 0 3 360.550 2.368 20 30 FEEDHN Cc1nsc(N2CCN(C(=O)[C@@H](C)N3[C@H](C)CC[C@@H]3C)CC2)c1C#N ZINC000461202326 560763955 /nfs/dbraw/zinc/76/39/55/560763955.db2.gz ZMJSMXDPLCJHAQ-VNHYZAJKSA-N 0 3 361.515 2.233 20 30 FEEDHN CCOCc1nc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)no1 ZINC000461231444 560764439 /nfs/dbraw/zinc/76/44/39/560764439.db2.gz XVQPWUDGWCMNLE-WFASDCNBSA-N 0 3 353.382 2.037 20 30 FEEDHN CN(C)CCOCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000461411295 560770461 /nfs/dbraw/zinc/77/04/61/560770461.db2.gz NAIDFMIXKLENNG-UHFFFAOYSA-N 0 3 373.482 2.305 20 30 FEEDHN COc1cc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000461791124 560783820 /nfs/dbraw/zinc/78/38/20/560783820.db2.gz LVBKWCLLHJBFKK-LBPRGKRZSA-N 0 3 372.337 2.261 20 30 FEEDHN C[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CCC(C)CC1 ZINC000462009900 560792091 /nfs/dbraw/zinc/79/20/91/560792091.db2.gz RHYYDEQANJHZRG-MRXNPFEDSA-N 0 3 356.470 2.451 20 30 FEEDHN N#Cc1ccc([C@H](NCCCc2ccc3c(c2)OCCO3)C(N)=O)cc1 ZINC000467414975 560909759 /nfs/dbraw/zinc/90/97/59/560909759.db2.gz XLOGEWKRBILPBQ-IBGZPJMESA-N 0 3 351.406 2.078 20 30 FEEDHN CN(CC(=O)Nc1cccc(F)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470743048 560988443 /nfs/dbraw/zinc/98/84/43/560988443.db2.gz FTPMBIJASOHCOV-INIZCTEOSA-N 0 3 364.380 2.477 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C(C)C ZINC000472068773 561017293 /nfs/dbraw/zinc/01/72/93/561017293.db2.gz QQOAHEXXHFGEKU-ZWKOTPCHSA-N 0 3 364.534 2.384 20 30 FEEDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000472623553 561031258 /nfs/dbraw/zinc/03/12/58/561031258.db2.gz MARIOJWDJAFLAV-QZTJIDSGSA-N 0 3 365.499 2.319 20 30 FEEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cnn(C)c1C#N ZINC000476210800 561113271 /nfs/dbraw/zinc/11/32/71/561113271.db2.gz ZENWOIAZBQMUMF-QGZVFWFLSA-N 0 3 351.454 2.276 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cnn([C@H](C)CC)c2C2CC2)CC1 ZINC000476935594 561132393 /nfs/dbraw/zinc/13/23/93/561132393.db2.gz VLZBMWSJPWAKEQ-CQSZACIVSA-N 0 3 373.501 2.437 20 30 FEEDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000477063003 561135697 /nfs/dbraw/zinc/13/56/97/561135697.db2.gz ZFJIQBATWOLWPZ-QGZVFWFLSA-N 0 3 372.513 2.389 20 30 FEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(Nc2ccccn2)CC1 ZINC000528427781 562328785 /nfs/dbraw/zinc/32/87/85/562328785.db2.gz KWYXISHGODYMLH-SFHVURJKSA-N 0 3 352.438 2.269 20 30 FEEDHN CN1CC[C@@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1 ZINC000528495709 562332223 /nfs/dbraw/zinc/33/22/23/562332223.db2.gz ZPMZRGOCRRDNSZ-NHCUHLMSSA-N 0 3 373.456 2.321 20 30 FEEDHN CCO[C@@H]1C[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528520965 562333730 /nfs/dbraw/zinc/33/37/30/562333730.db2.gz OVWYKLMLDJQLJC-ZWKOTPCHSA-N 0 3 352.434 2.223 20 30 FEEDHN N#Cc1ccc(CC(=O)NCc2ccc(OCCN3CCCC3)cc2)cn1 ZINC000528528713 562334199 /nfs/dbraw/zinc/33/41/99/562334199.db2.gz UFYNDXCRIARKRB-UHFFFAOYSA-N 0 3 364.449 2.287 20 30 FEEDHN N#Cc1ccsc1NC(=O)CCN1CC2(CCOCC2)CC[C@@H]1CO ZINC000528641866 562339902 /nfs/dbraw/zinc/33/99/02/562339902.db2.gz WCWZDACTACVXIP-OAHLLOKOSA-N 0 3 363.483 2.202 20 30 FEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000528922668 562353060 /nfs/dbraw/zinc/35/30/60/562353060.db2.gz AGSBHSYEZZKZJR-LVSLPLRBSA-N 0 3 371.437 2.095 20 30 FEEDHN C=CC[C@@H](CO)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000529025486 562357197 /nfs/dbraw/zinc/35/71/97/562357197.db2.gz KFSBLQWZIKDINN-RCCFBDPRSA-N 0 3 371.506 2.412 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CCCOC2)cc1 ZINC000529079282 562359257 /nfs/dbraw/zinc/35/92/57/562359257.db2.gz GKHRCJQSGXHQLA-ZIAGYGMSSA-N 0 3 365.455 2.311 20 30 FEEDHN CCCN(CC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000532926664 562492779 /nfs/dbraw/zinc/49/27/79/562492779.db2.gz SAFDEEMNXBNWTM-UHFFFAOYSA-N 0 3 371.441 2.187 20 30 FEEDHN N#Cc1ccsc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000534917937 562545080 /nfs/dbraw/zinc/54/50/80/562545080.db2.gz YGIHJEKFWPRLEU-DLBZAZTESA-N 0 3 355.463 2.233 20 30 FEEDHN CS[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1N(C)C ZINC000534951978 562546070 /nfs/dbraw/zinc/54/60/70/562546070.db2.gz PPOMYQQNWRFEAN-GJZGRUSLSA-N 0 3 352.891 2.128 20 30 FEEDHN C=CCOc1ccc(CN2CCC(OCCC(=O)NC)CC2)cc1OC ZINC000535798547 562568261 /nfs/dbraw/zinc/56/82/61/562568261.db2.gz NWSPOJOLHQVHII-UHFFFAOYSA-N 0 3 362.470 2.377 20 30 FEEDHN N#CC(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccncn1 ZINC000546154467 562634424 /nfs/dbraw/zinc/63/44/24/562634424.db2.gz YGPOJGUHVONNRX-MRXNPFEDSA-N 0 3 372.340 2.356 20 30 FEEDHN CCCNC(=O)c1cccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000550192863 562643932 /nfs/dbraw/zinc/64/39/32/562643932.db2.gz RKYIWIDOYVSLKC-LJQANCHMSA-N 0 3 367.449 2.228 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c(OCCN(C)C)c1 ZINC000602072556 567916322 /nfs/dbraw/zinc/91/63/22/567916322.db2.gz DECBKXUKNOADON-DOTOQJQBSA-N 0 3 372.469 2.025 20 30 FEEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCN(CCC#N)CC1)N(C)C ZINC000602312084 567965995 /nfs/dbraw/zinc/96/59/95/567965995.db2.gz PMYZOUIEFPJCFQ-PKOBYXMFSA-N 0 3 357.502 2.227 20 30 FEEDHN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](N)CCCC#N ZINC000602580641 567993655 /nfs/dbraw/zinc/99/36/55/567993655.db2.gz XZUICPGZSNAMBJ-HIFRSBDPSA-N 0 3 374.268 2.213 20 30 FEEDHN N#Cc1ccc(C2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)nc1 ZINC000602906639 568016514 /nfs/dbraw/zinc/01/65/14/568016514.db2.gz LPNIMEPJXRGWOR-GOSISDBHSA-N 0 3 354.454 2.204 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000602990932 568038915 /nfs/dbraw/zinc/03/89/15/568038915.db2.gz LZJRHBCLZFWSQG-XXILOJSOSA-N 0 3 361.345 2.445 20 30 FEEDHN CN(CCOCc1ccc(C#N)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000568557177 568051324 /nfs/dbraw/zinc/05/13/24/568051324.db2.gz DSYUAGCKMZXLEZ-FQEVSTJZSA-N 0 3 365.433 2.318 20 30 FEEDHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1cc(CCC#N)nn1 ZINC000603190676 568072010 /nfs/dbraw/zinc/07/20/10/568072010.db2.gz DAAMQFJQKOGPNQ-INIZCTEOSA-N 0 3 366.469 2.076 20 30 FEEDHN Cc1nccc([C@@H]2CCCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000603834461 568158762 /nfs/dbraw/zinc/15/87/62/568158762.db2.gz VARWMHPXYCRZHT-MOPGFXCFSA-N 0 3 366.465 2.470 20 30 FEEDHN CC(C)CN1CCC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569595108 568409054 /nfs/dbraw/zinc/40/90/54/568409054.db2.gz FONNMWKIGBBNBP-SFHVURJKSA-N 0 3 363.527 2.290 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000735420246 598269704 /nfs/dbraw/zinc/26/97/04/598269704.db2.gz NOYSCQZROGXRSX-AWEZNQCLSA-N 0 3 369.473 2.047 20 30 FEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000735420246 598269705 /nfs/dbraw/zinc/26/97/05/598269705.db2.gz NOYSCQZROGXRSX-AWEZNQCLSA-N 0 3 369.473 2.047 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000815082161 674914000 /nfs/dbraw/zinc/91/40/00/674914000.db2.gz BVCKGHAPOVQXGF-UHFFFAOYSA-N 0 3 350.484 2.241 20 30 FEEDHN C=CCNC(=O)CN1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203971 674930014 /nfs/dbraw/zinc/93/00/14/674930014.db2.gz PCLXSNXLIIKMNM-HOTGVXAUSA-N 0 3 351.491 2.400 20 30 FEEDHN CSC1(CNS(=O)(=O)c2ccc(C#N)cc2Cl)CCN(C)CC1 ZINC000564411412 675012675 /nfs/dbraw/zinc/01/26/75/675012675.db2.gz TVPSIUASHIPRMV-UHFFFAOYSA-N 0 3 373.931 2.317 20 30 FEEDHN CN(CCC#N)C[C@H](O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000570202435 670677649 /nfs/dbraw/zinc/67/76/49/670677649.db2.gz IUPFOWGZFMWDRM-CVEARBPZSA-N 0 3 367.291 2.091 20 30 FEEDHN C[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000570739123 670762013 /nfs/dbraw/zinc/76/20/13/670762013.db2.gz QWCYZKBDYGTJES-MAUKXSAKSA-N 0 3 360.889 2.391 20 30 FEEDHN C=CC(C)(C)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)CCC ZINC000571910337 670939911 /nfs/dbraw/zinc/93/99/11/670939911.db2.gz RTCRMUDPFYMLKB-UHFFFAOYSA-N 0 3 373.540 2.446 20 30 FEEDHN N#Cc1ccnc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000576660663 671384857 /nfs/dbraw/zinc/38/48/57/671384857.db2.gz KMHCEVLPHPDCTK-UHFFFAOYSA-N 0 3 352.360 2.488 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)o1 ZINC000576969773 671407920 /nfs/dbraw/zinc/40/79/20/671407920.db2.gz RVNPUZDYSRLPEO-HNNXBMFYSA-N 0 3 351.472 2.474 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+]2CC2CCCCC2)o1 ZINC000576969773 671407921 /nfs/dbraw/zinc/40/79/21/671407921.db2.gz RVNPUZDYSRLPEO-HNNXBMFYSA-N 0 3 351.472 2.474 20 30 FEEDHN N#CC(C(=O)COc1cccc(Br)c1)C(=O)N1CCCC1 ZINC000124415788 671996809 /nfs/dbraw/zinc/99/68/09/671996809.db2.gz WVYAZWYLUFUXJL-CYBMUJFWSA-N 0 3 351.200 2.159 20 30 FEEDHN COc1cc(CCNCCS(=O)(=O)c2cccc(C#N)c2)ccc1C ZINC000582661188 672022679 /nfs/dbraw/zinc/02/26/79/672022679.db2.gz SIWVQHBDIQQIII-UHFFFAOYSA-N 0 3 358.463 2.481 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1 ZINC000127635249 672039285 /nfs/dbraw/zinc/03/92/85/672039285.db2.gz UGQSGVUFTWYNMU-INIZCTEOSA-N 0 3 360.255 2.475 20 30 FEEDHN CCCCCCNC(=[NH2+])NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000130674363 672078272 /nfs/dbraw/zinc/07/82/72/672078272.db2.gz GWOFDDCHVOUUOM-UHFFFAOYSA-N 0 3 366.940 2.164 20 30 FEEDHN C[C@@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)N1CCCC1 ZINC000584572313 672200580 /nfs/dbraw/zinc/20/05/80/672200580.db2.gz HXBBYQPHTCNFIQ-LBPRGKRZSA-N 0 3 362.499 2.456 20 30 FEEDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000590588225 672592767 /nfs/dbraw/zinc/59/27/67/672592767.db2.gz DTRASINMQZMXOY-YGRLFVJLSA-N 0 3 372.288 2.034 20 30 FEEDHN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000193696201 672733709 /nfs/dbraw/zinc/73/37/09/672733709.db2.gz FZHVJCJOCJZBBB-CQSZACIVSA-N 0 3 359.451 2.348 20 30 FEEDHN O=C(NCCNCc1ccc(Br)s1)C1N=CC=CC1=O ZINC000255873008 672897826 /nfs/dbraw/zinc/89/78/26/672897826.db2.gz FKBXLDANKBGBRC-OUKQBFOZSA-N 0 3 356.245 2.127 20 30 FEEDHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)c2ccccc2O1 ZINC000593563082 672944176 /nfs/dbraw/zinc/94/41/76/672944176.db2.gz QAJUJVOSPBHYGX-LBPRGKRZSA-N 0 3 363.464 2.138 20 30 FEEDHN N#Cc1sccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000593565839 672945168 /nfs/dbraw/zinc/94/51/68/672945168.db2.gz AEGKELUHWHHBCO-OCCSQVGLSA-N 0 3 351.497 2.257 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000594431940 673071451 /nfs/dbraw/zinc/07/14/51/673071451.db2.gz SWOZSYTYZZLKAP-WCQYABFASA-N 0 3 374.268 2.261 20 30 FEEDHN CN1C(=O)C[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000594443748 673072463 /nfs/dbraw/zinc/07/24/63/673072463.db2.gz TYVYSKMAVXYOSJ-ZOBUZTSGSA-N 0 3 362.861 2.139 20 30 FEEDHN CN1C(=O)C[C@H](NC(=O)[C@H](N)CCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000594443746 673072519 /nfs/dbraw/zinc/07/25/19/673072519.db2.gz TYVYSKMAVXYOSJ-VYDXJSESSA-N 0 3 362.861 2.139 20 30 FEEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCN(Cc2cccs2)CC1 ZINC000329970107 673084717 /nfs/dbraw/zinc/08/47/17/673084717.db2.gz WZHHHVSVIJVAHS-HNNXBMFYSA-N 0 3 359.499 2.239 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000595255938 673214133 /nfs/dbraw/zinc/21/41/33/673214133.db2.gz GUWIZZUUNOEULC-OAHLLOKOSA-N 0 3 365.275 2.119 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@]2(C)C(=O)OCC)CC1 ZINC000595496043 673257898 /nfs/dbraw/zinc/25/78/98/673257898.db2.gz YENLPALDJSKJSC-QFBILLFUSA-N 0 3 351.491 2.448 20 30 FEEDHN CC(=NNC(=S)NCCC[NH+](C)C)c1cc(Br)ccc1[O-] ZINC000731928061 673348243 /nfs/dbraw/zinc/34/82/43/673348243.db2.gz CQGOWVQRRPFVNT-UHFFFAOYSA-N 0 3 373.320 2.295 20 30 FEEDHN CN1CCO[C@H]([C@H](NC[C@H](O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000600731620 673795257 /nfs/dbraw/zinc/79/52/57/673795257.db2.gz NJKHNSGXNPPGMB-FGTMMUONSA-N 0 3 363.889 2.356 20 30 FEEDHN CN(C)C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000600754786 673796645 /nfs/dbraw/zinc/79/66/45/673796645.db2.gz IICPGSFISZOFAK-PBHICJAKSA-N 0 3 373.328 2.392 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(C(F)(F)F)CCCC2)nc1 ZINC000600759098 673796912 /nfs/dbraw/zinc/79/69/12/673796912.db2.gz OOBJZEJEYIKXBY-UHFFFAOYSA-N 0 3 361.389 2.439 20 30 FEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1C ZINC000601355528 673847127 /nfs/dbraw/zinc/84/71/27/673847127.db2.gz TXCIVFPXWPNVAT-CJNGLKHVSA-N 0 3 353.463 2.499 20 30 FEEDHN CC1(C)CN(Cc2ccc(C#N)cc2Br)CCN1CCO ZINC000614924092 676196690 /nfs/dbraw/zinc/19/66/90/676196690.db2.gz ZMSZDIOSUJLVCV-UHFFFAOYSA-N 0 3 352.276 2.209 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000818609175 675228582 /nfs/dbraw/zinc/22/85/82/675228582.db2.gz MWLCYCUDRYBGTP-UHFFFAOYSA-N 0 3 366.437 2.422 20 30 FEEDHN CCN1CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819257299 675274699 /nfs/dbraw/zinc/27/46/99/675274699.db2.gz BVFKGXZFRJMSPI-HNNXBMFYSA-N 0 3 352.479 2.128 20 30 FEEDHN N#CCSCCC[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822814801 675508732 /nfs/dbraw/zinc/50/87/32/675508732.db2.gz JUUCFKWGEDGKMU-UHFFFAOYSA-N 0 3 357.487 2.026 20 30 FEEDHN N#CCSCCC[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822814801 675508733 /nfs/dbraw/zinc/50/87/33/675508733.db2.gz JUUCFKWGEDGKMU-UHFFFAOYSA-N 0 3 357.487 2.026 20 30 FEEDHN N#CCSCCC[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822814801 675508734 /nfs/dbraw/zinc/50/87/34/675508734.db2.gz JUUCFKWGEDGKMU-UHFFFAOYSA-N 0 3 357.487 2.026 20 30 FEEDHN N#CCSCCC[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822814801 675508737 /nfs/dbraw/zinc/50/87/37/675508737.db2.gz JUUCFKWGEDGKMU-UHFFFAOYSA-N 0 3 357.487 2.026 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2n[nH]cc2Br)CC1 ZINC000606501278 675835854 /nfs/dbraw/zinc/83/58/54/675835854.db2.gz UFTOQZSGJNUKAH-UHFFFAOYSA-N 0 3 356.268 2.012 20 30 FEEDHN C#CCN(C)CCCNC(=O)N(CCCO)Cc1cccc(Cl)c1 ZINC000838623946 680706714 /nfs/dbraw/zinc/70/67/14/680706714.db2.gz YKIDVFZSYHZRGJ-UHFFFAOYSA-N 0 3 351.878 2.189 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000839563738 680762005 /nfs/dbraw/zinc/76/20/05/680762005.db2.gz KCGLJJFHMUUSPU-UHFFFAOYSA-N 0 3 364.515 2.013 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2cnc(C(F)(F)F)nc2)CC1 ZINC000660599630 678362479 /nfs/dbraw/zinc/36/24/79/678362479.db2.gz KYHMOKVOKHGOEH-UHFFFAOYSA-N 0 3 357.380 2.335 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](Cn2ccnn2)C1 ZINC000661142565 678440789 /nfs/dbraw/zinc/44/07/89/678440789.db2.gz WXJFSSHACCDCRF-HZPDHXFCSA-N 0 3 359.499 2.265 20 30 FEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC000974593699 679961331 /nfs/dbraw/zinc/96/13/31/679961331.db2.gz XHCASKRYISJCJY-QLFBSQMISA-N 0 3 355.910 2.165 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCc2scnc2C)CC1(C)C ZINC000975055272 680008899 /nfs/dbraw/zinc/00/88/99/680008899.db2.gz KGGOAUQLRDTNMU-HLLBOEOZSA-N 0 3 363.527 2.412 20 30 FEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C[C@@H]2CCCCO2)CC1 ZINC000982135258 680270588 /nfs/dbraw/zinc/27/05/88/680270588.db2.gz ZBCRYFJPTQLEKW-FHWLQOOXSA-N 0 3 350.503 2.461 20 30 FEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CSC(F)F)cc1OC ZINC000835063116 680292688 /nfs/dbraw/zinc/29/26/88/680292688.db2.gz UWVVOJJOFOXNQU-NSHDSACASA-N 0 3 372.393 2.027 20 30 FEEDHN N#CC(C(=O)COCC1CCCC1)C(=O)NCc1ccc(F)cc1F ZINC000835341090 680321210 /nfs/dbraw/zinc/32/12/10/680321210.db2.gz QQCJVQYJDJWHLC-OAHLLOKOSA-N 0 3 350.365 2.497 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC(NCc2cnns2)CC1 ZINC001026496196 680344856 /nfs/dbraw/zinc/34/48/56/680344856.db2.gz PVRDGQXADBFPTJ-GMEATFMZSA-N 0 3 350.488 2.036 20 30 FEEDHN N#Cc1cc(Cl)c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(Cl)c1 ZINC000754412290 680354777 /nfs/dbraw/zinc/35/47/77/680354777.db2.gz MGEXWLZYRKJXIP-VXGBXAGGSA-N 0 3 354.237 2.458 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(CCc2csc(C)n2)C1 ZINC001028860785 680385978 /nfs/dbraw/zinc/38/59/78/680385978.db2.gz DTODCFVMMCDYDS-SZMVWBNQSA-N 0 3 363.527 2.413 20 30 FEEDHN C#C[C@H](NC(=O)NCCN(C)CCOC)c1ccc(Br)cc1 ZINC000836285923 680445137 /nfs/dbraw/zinc/44/51/37/680445137.db2.gz YWQLTFKTILNINF-HNNXBMFYSA-N 0 3 368.275 2.001 20 30 FEEDHN C#CCN(C)CCCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000836489257 680476156 /nfs/dbraw/zinc/47/61/56/680476156.db2.gz WMQOFKIHPHPMQM-HNNXBMFYSA-N 0 3 358.269 2.281 20 30 FEEDHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043356045 680576863 /nfs/dbraw/zinc/57/68/63/680576863.db2.gz KKMHFAHGJLXXGD-IUODEOHRSA-N 0 3 361.877 2.350 20 30 FEEDHN CC(C)(C)OC(=O)COCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000842686785 680959381 /nfs/dbraw/zinc/95/93/81/680959381.db2.gz QTSJOZDRXPRXHF-LLVKDONJSA-N 0 3 366.801 2.346 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000843930599 681026678 /nfs/dbraw/zinc/02/66/78/681026678.db2.gz TWZCEIFHLAIDNX-LSDHHAIUSA-N 0 3 351.491 2.140 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2CCc1ccns1 ZINC001049732655 681038096 /nfs/dbraw/zinc/03/80/96/681038096.db2.gz PJSIOHCRDCGQQS-BDXSIMOUSA-N 0 3 361.511 2.342 20 30 FEEDHN CC[C@@H]1C(=O)NCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000933217628 681377237 /nfs/dbraw/zinc/37/72/37/681377237.db2.gz MRHBOHRZVQBIER-GXTWGEPZSA-N 0 3 356.451 2.073 20 30 FEEDHN C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H](C)N2CCCCC2)cc1 ZINC000847958358 681455727 /nfs/dbraw/zinc/45/57/27/681455727.db2.gz IDSHUBLZPGPBNK-OAHLLOKOSA-N 0 3 366.483 2.182 20 30 FEEDHN CO[C@@H](C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1)C1CCCC1 ZINC000850976328 681992070 /nfs/dbraw/zinc/99/20/70/681992070.db2.gz AMUSDJGYNAOWNX-CXAGYDPISA-N 0 3 350.365 2.495 20 30 FEEDHN N#Cc1ccc(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)cc1Cl ZINC000915310489 685514212 /nfs/dbraw/zinc/51/42/12/685514212.db2.gz RZDQDZXEYNUINU-INIZCTEOSA-N 0 3 353.875 2.117 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC(NCc2cnns2)CC1 ZINC000964021679 682155853 /nfs/dbraw/zinc/15/58/53/682155853.db2.gz BRZSKHFXGAPMHU-LCSXWQTCSA-N 0 3 364.515 2.379 20 30 FEEDHN N#CC(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)NC1CC1 ZINC000916926540 685528573 /nfs/dbraw/zinc/52/85/73/685528573.db2.gz ILCIRIDQLQMORO-QMTHXVAHSA-N 0 3 363.826 2.130 20 30 FEEDHN C=CCNC(=O)C(C#N)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000916921656 685528622 /nfs/dbraw/zinc/52/86/22/685528622.db2.gz WQMRFSCJUQTSPT-LLVKDONJSA-N 0 3 374.447 2.010 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2nc3c(s2)COCC3)CC1 ZINC000917098554 685529672 /nfs/dbraw/zinc/52/96/72/685529672.db2.gz YPTDRKLHGAPPDW-UHFFFAOYSA-N 0 3 350.488 2.056 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)CCn1cc(Br)cn1 ZINC000917424738 685532100 /nfs/dbraw/zinc/53/21/00/685532100.db2.gz GFJYJPQZNQVKGN-LBPRGKRZSA-N 0 3 355.236 2.051 20 30 FEEDHN C#CCCN(CCOC)C[C@@H](O)COc1ccc(Br)cc1 ZINC000852752859 682336064 /nfs/dbraw/zinc/33/60/64/682336064.db2.gz OLUSPIANIYJGFC-OAHLLOKOSA-N 0 3 356.260 2.161 20 30 FEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)Cc2nc(C)sc2C)cc1 ZINC000786318954 682367362 /nfs/dbraw/zinc/36/73/62/682367362.db2.gz NDMMNVASFKUWAD-HNNXBMFYSA-N 0 3 357.435 2.336 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(CC(CC)CC)CCO2 ZINC000972562009 682422373 /nfs/dbraw/zinc/42/23/73/682422373.db2.gz ZGSVTENNDLPEJH-HBFSDRIKSA-N 0 3 350.503 2.317 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1c(Cl)cccc1OC ZINC000790768076 682700345 /nfs/dbraw/zinc/70/03/45/682700345.db2.gz RGAWVJWJFRDCAO-CYBMUJFWSA-N 0 3 352.818 2.143 20 30 FEEDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)CSCC#N)C2)ccn1 ZINC000856658636 682795469 /nfs/dbraw/zinc/79/54/69/682795469.db2.gz CWSBINSKOWCNMV-QGZVFWFLSA-N 0 3 362.499 2.158 20 30 FEEDHN C=CCN1CCC(NC(=O)C2CC(N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC000859250494 683064782 /nfs/dbraw/zinc/06/47/82/683064782.db2.gz KSDDPQTUDPROJB-UHFFFAOYSA-N 0 3 351.491 2.399 20 30 FEEDHN C#CCN(CCCN1C(=O)CS/C1=C\C(=O)OC)Cc1ccccc1 ZINC000796633024 683179976 /nfs/dbraw/zinc/17/99/76/683179976.db2.gz QEDBQLTYHHPNRT-AQTBWJFISA-N 0 3 358.463 2.102 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)C2)CC1 ZINC000798465989 683353538 /nfs/dbraw/zinc/35/35/38/683353538.db2.gz BKTQUQFWUCUAJO-UHFFFAOYSA-N 0 3 365.474 2.335 20 30 FEEDHN CCCCCCCS(=O)(=O)N[C@@H]1C[C@]2(CN(C)[C@@H]2C(C)C)C[C@H]1O ZINC000920274161 683328426 /nfs/dbraw/zinc/32/84/26/683328426.db2.gz MMXZJJLTAMFUSO-BRSBDYLESA-N 0 3 360.564 2.356 20 30 FEEDHN C#CCN(C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1)C1CCN(C)CC1 ZINC000921648709 683531476 /nfs/dbraw/zinc/53/14/76/683531476.db2.gz RHTAXKUIHHQVFT-BZQUYTCOSA-N 0 3 361.511 2.224 20 30 FEEDHN CNC(=O)[C@@H](CNCc1csc(C#N)c1)Cc1ccc(OC)c(F)c1 ZINC000922207210 683679318 /nfs/dbraw/zinc/67/93/18/683679318.db2.gz IBYPOMQGBGWKIB-CQSZACIVSA-N 0 3 361.442 2.462 20 30 FEEDHN Cn1nccc1[C@@H]1[C@@H](NCc2cc(C#N)cs2)CCC(=O)N1C1CC1 ZINC000922520527 683740441 /nfs/dbraw/zinc/74/04/41/683740441.db2.gz MPKZOZGVOCKAQP-YJBOKZPZSA-N 0 3 355.467 2.338 20 30 FEEDHN C#CCOc1ccc(Br)cc1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922727916 683773613 /nfs/dbraw/zinc/77/36/13/683773613.db2.gz HPOBVMNLWATJRV-UNEWFSDZSA-N 0 3 366.255 2.355 20 30 FEEDHN COC[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(Br)c1 ZINC000868024095 684440698 /nfs/dbraw/zinc/44/06/98/684440698.db2.gz HBKMNVCYPMVSKQ-KBPBESRZSA-N 0 3 354.248 2.274 20 30 FEEDHN CC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)c1ccccc1 ZINC000872250391 684932104 /nfs/dbraw/zinc/93/21/04/684932104.db2.gz HRIRFODRBNYJPE-OALUTQOASA-N 0 3 358.463 2.434 20 30 FEEDHN CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)c1ccccc1 ZINC000872252669 684932513 /nfs/dbraw/zinc/93/25/13/684932513.db2.gz VIHMNFVCQHYVRJ-RTBURBONSA-N 0 3 358.463 2.434 20 30 FEEDHN C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)CC1(C#N)CC1)C2 ZINC000872597810 684985307 /nfs/dbraw/zinc/98/53/07/684985307.db2.gz PHFXXSWJQSIZFZ-ZWKOTPCHSA-N 0 3 359.495 2.074 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000876607819 686227863 /nfs/dbraw/zinc/22/78/63/686227863.db2.gz QRTKGDDAEYMQSS-CABCVRRESA-N 0 3 354.834 2.276 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000876713525 686251295 /nfs/dbraw/zinc/25/12/95/686251295.db2.gz KZDCIGVNEAIYGM-HNNXBMFYSA-N 0 3 353.825 2.147 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000876714634 686251358 /nfs/dbraw/zinc/25/13/58/686251358.db2.gz AUURZCUABBBQHD-OAHLLOKOSA-N 0 3 360.845 2.480 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C ZINC000876899421 686290924 /nfs/dbraw/zinc/29/09/24/686290924.db2.gz XJXKBBNDLMULGW-HIFRSBDPSA-N 0 3 351.834 2.013 20 30 FEEDHN NC(=O)C1(N2CCCCC2)CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000880253160 687022975 /nfs/dbraw/zinc/02/29/75/687022975.db2.gz VLVKLHPOAIPONW-UHFFFAOYSA-N 0 3 359.901 2.497 20 30 FEEDHN COc1cnccc1N1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882291145 687342373 /nfs/dbraw/zinc/34/23/73/687342373.db2.gz BDTITOVWMUSBBT-UHFFFAOYSA-N 0 3 374.242 2.446 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1csc(Br)c1)C2 ZINC000884091426 687786594 /nfs/dbraw/zinc/78/65/94/687786594.db2.gz XLUKHHWONDQVJC-CVZZAPKMSA-N 0 3 354.273 2.266 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)OC(C)C)CC2)CC1 ZINC000884131765 687796665 /nfs/dbraw/zinc/79/66/65/687796665.db2.gz UWIUHVAJBRXDNQ-UHFFFAOYSA-N 0 3 351.491 2.400 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000884134829 687797594 /nfs/dbraw/zinc/79/75/94/687797594.db2.gz SZKXDRUDTJPSJO-APOVPAKTSA-N 0 3 368.264 2.282 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCNc1ncc(Cl)cc1Cl)C2 ZINC000884191564 687813121 /nfs/dbraw/zinc/81/31/21/687813121.db2.gz HIDZOTMYSSOLIH-NOEPWBJOSA-N 0 3 368.268 2.056 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCO[C@H](c3cccc(Cl)c3)C1)C2 ZINC000884316403 687845475 /nfs/dbraw/zinc/84/54/75/687845475.db2.gz RGHFIXXKWMCGMW-VOLNDZDFSA-N 0 3 359.857 2.379 20 30 FEEDHN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885476193 688081551 /nfs/dbraw/zinc/08/15/51/688081551.db2.gz AKOZAWDKDQIWDK-CABCVRRESA-N 0 3 350.459 2.156 20 30 FEEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886109883 688204357 /nfs/dbraw/zinc/20/43/57/688204357.db2.gz UHRFZULJCIDMJA-ZBFHGGJFSA-N 0 3 365.499 2.032 20 30 FEEDHN C#CCN(C(=O)C[C@@H](C)n1cc(Br)cn1)C1CCN(C)CC1 ZINC000886574688 688278394 /nfs/dbraw/zinc/27/83/94/688278394.db2.gz OYUVXEIONWAQFQ-CYBMUJFWSA-N 0 3 367.291 2.153 20 30 FEEDHN C#CCN(C(=O)c1cnn(-c2nc(CC)cs2)c1)C1CCN(C)CC1 ZINC000886579130 688279689 /nfs/dbraw/zinc/27/96/89/688279689.db2.gz ZHORKYYWBOKUMW-UHFFFAOYSA-N 0 3 357.483 2.061 20 30 FEEDHN C#CCC1(NCC(=O)Nc2cc(Cl)c(OC)cc2OC)CCOCC1 ZINC000887123281 688369886 /nfs/dbraw/zinc/36/98/86/688369886.db2.gz HZVUDAPVXKTEDB-UHFFFAOYSA-N 0 3 366.845 2.458 20 30 FEEDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888412407 688607118 /nfs/dbraw/zinc/60/71/18/688607118.db2.gz JJYKOHCYONHZKR-LLVKDONJSA-N 0 3 370.910 2.063 20 30 FEEDHN N#Cc1sc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)nc1Cl ZINC000888425770 688610441 /nfs/dbraw/zinc/61/04/41/688610441.db2.gz AITUTGWUYQGWEH-SNVBAGLBSA-N 0 3 355.851 2.043 20 30 FEEDHN C#CCSCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000889198212 688744209 /nfs/dbraw/zinc/74/42/09/688744209.db2.gz JRHZFBNBKRIHDH-KRWDZBQOSA-N 0 3 359.495 2.158 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNCc1nc(Br)nn1C)C(C)C ZINC000894172623 689480317 /nfs/dbraw/zinc/48/03/17/689480317.db2.gz IOEJSFXVBIPUQC-ZDUSSCGKSA-N 0 3 356.312 2.366 20 30 FEEDHN CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@@H]3CCCN([O-])C3=O)C2)CC1 ZINC000895196297 689675522 /nfs/dbraw/zinc/67/55/22/689675522.db2.gz JZOKSPXGXVGHAP-CQSZACIVSA-N 0 3 353.463 2.136 20 30 FEEDHN C=CCNc1ncc(C(=O)N(CCCOC)C2CCN(C)CC2)s1 ZINC000908294969 691653520 /nfs/dbraw/zinc/65/35/20/691653520.db2.gz UHEACFIPWYHRIA-UHFFFAOYSA-N 0 3 352.504 2.314 20 30 FEEDHN Cc1cc(C#N)c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc1C ZINC001164764244 721111318 /nfs/dbraw/zinc/11/13/18/721111318.db2.gz HLRLWWOUKOROGR-PKOBYXMFSA-N 0 3 350.470 2.262 20 30 FEEDHN N#Cc1cc(F)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981560 722105313 /nfs/dbraw/zinc/10/53/13/722105313.db2.gz LSIOBGVRRSOFAP-LPHOPBHVSA-N 0 3 367.428 2.215 20 30 FEEDHN Cc1cc(C#N)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980355 722151119 /nfs/dbraw/zinc/15/11/19/722151119.db2.gz NEEFZUIUTZFUSB-WOJBJXKFSA-N 0 3 363.465 2.384 20 30 FEEDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)N(C)C ZINC000041323341 540017282 /nfs/dbraw/zinc/01/72/82/540017282.db2.gz URHFAHOMZBUNBW-CQSZACIVSA-N 0 3 350.850 2.243 20 30 FEEDHN CCN1CCN(CCCCNC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000046753577 540269395 /nfs/dbraw/zinc/26/93/95/540269395.db2.gz OMRYHCVBIPSONA-UHFFFAOYSA-N 0 3 357.502 2.117 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000047287132 540301811 /nfs/dbraw/zinc/30/18/11/540301811.db2.gz ZKNIWRHHNJHVLJ-UHFFFAOYSA-N 0 3 367.409 2.253 20 30 FEEDHN CN(CCCNC(=O)C(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000049305182 540387155 /nfs/dbraw/zinc/38/71/55/540387155.db2.gz VKRSYQZOUBMCOH-UHFFFAOYSA-N 0 3 350.422 2.135 20 30 FEEDHN CCCCNC(=O)C1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000051182654 540425935 /nfs/dbraw/zinc/42/59/35/540425935.db2.gz KXMZCPSDNSWZFR-LJQANCHMSA-N 0 3 373.497 2.121 20 30 FEEDHN N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000066223080 541292801 /nfs/dbraw/zinc/29/28/01/541292801.db2.gz BSVRPHHIEGCMRI-KRWDZBQOSA-N 0 3 370.453 2.004 20 30 FEEDHN C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)N1CCC[C@@H](C)C1 ZINC000066240563 541294562 /nfs/dbraw/zinc/29/45/62/541294562.db2.gz FQAJMPQLRLYNFH-CABCVRRESA-N 0 3 366.469 2.176 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2cccc(C(=O)NCCCOCC)c2)CC1 ZINC000067202772 541432108 /nfs/dbraw/zinc/43/21/08/541432108.db2.gz JBMRESXTJKVHLJ-UHFFFAOYSA-N 0 3 371.481 2.127 20 30 FEEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000067345259 541447191 /nfs/dbraw/zinc/44/71/91/541447191.db2.gz RCMSJRODERWVFN-LSDHHAIUSA-N 0 3 372.469 2.132 20 30 FEEDHN CCN1CCC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000542955801 541508133 /nfs/dbraw/zinc/50/81/33/541508133.db2.gz NLLRNHQKHZXTFI-UHFFFAOYSA-N 0 3 356.405 2.489 20 30 FEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOC[C@@H]1CCCO1 ZINC000068310175 541575318 /nfs/dbraw/zinc/57/53/18/541575318.db2.gz OFMUPQQPNSCWQG-IBGZPJMESA-N 0 3 359.470 2.034 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000068713841 541621834 /nfs/dbraw/zinc/62/18/34/541621834.db2.gz CCOUGFGZXDXNIU-OAHLLOKOSA-N 0 3 355.438 2.166 20 30 FEEDHN CCN1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069385983 541682481 /nfs/dbraw/zinc/68/24/81/541682481.db2.gz GIWDWWWAZQCXDM-QGZVFWFLSA-N 0 3 373.476 2.450 20 30 FEEDHN CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069473479 541688665 /nfs/dbraw/zinc/68/86/65/541688665.db2.gz WMFYKDANSNCCQG-IAGOWNOFSA-N 0 3 373.476 2.402 20 30 FEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnn(-c2ncccn2)c1)C(C)C ZINC000072561458 541832446 /nfs/dbraw/zinc/83/24/46/541832446.db2.gz GMWCJSCTPRXPID-KRWDZBQOSA-N 0 3 369.473 2.482 20 30 FEEDHN C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)CCN1Cc1ccccc1 ZINC000072895660 541889809 /nfs/dbraw/zinc/88/98/09/541889809.db2.gz OLSFSCFXEIWFCH-LJQANCHMSA-N 0 3 367.497 2.239 20 30 FEEDHN CCCN1CCCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 ZINC000074073705 542034467 /nfs/dbraw/zinc/03/44/67/542034467.db2.gz FTKVHZDGXKJOOG-UHFFFAOYSA-N 0 3 368.485 2.095 20 30 FEEDHN CCN1CCC[C@@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000074490364 542090328 /nfs/dbraw/zinc/09/03/28/542090328.db2.gz GMBPLWIOMVGCKD-OAHLLOKOSA-N 0 3 359.449 2.013 20 30 FEEDHN COCCN(C)CCOc1cccc(CNC(=O)c2ccc(C#N)cc2)c1 ZINC000075579351 542189764 /nfs/dbraw/zinc/18/97/64/542189764.db2.gz RMTXOXJILXRZAA-UHFFFAOYSA-N 0 3 367.449 2.445 20 30 FEEDHN C#CCN1CCC(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000076389798 542272335 /nfs/dbraw/zinc/27/23/35/542272335.db2.gz JEKFFQYYXLCNQA-LJQANCHMSA-N 0 3 353.510 2.455 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2nc(C)c(C(=O)OCC)s2)CC1 ZINC000078331640 542455403 /nfs/dbraw/zinc/45/54/03/542455403.db2.gz DMNNZAYGLJURNO-UHFFFAOYSA-N 0 3 366.487 2.078 20 30 FEEDHN C[C@@](C#N)(NC(=O)CNc1ccccc1CN1CCC(CO)CC1)C1CC1 ZINC000078405018 542460460 /nfs/dbraw/zinc/46/04/60/542460460.db2.gz DJMRYVZHTWDBSK-NRFANRHFSA-N 0 3 370.497 2.111 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1nnc2ccccn21)C(C)C ZINC000079265238 542509143 /nfs/dbraw/zinc/50/91/43/542509143.db2.gz IZEQVISUCLRJRN-MRXNPFEDSA-N 0 3 356.474 2.227 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)C(C)C ZINC000081478409 542659715 /nfs/dbraw/zinc/65/97/15/542659715.db2.gz DPBHJHZCEDMXDL-ZBFHGGJFSA-N 0 3 363.424 2.394 20 30 FEEDHN CN(C)Cc1ccc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1 ZINC000104136637 543124329 /nfs/dbraw/zinc/12/43/29/543124329.db2.gz LJJFYZABNFGTQK-UHFFFAOYSA-N 0 3 374.448 2.318 20 30 FEEDHN C[C@@H](NC1(CNS(=O)(=O)CCCC#N)CCOCC1)c1ccccc1 ZINC000113306267 543483913 /nfs/dbraw/zinc/48/39/13/543483913.db2.gz CWAHBRDVIKMDMJ-MRXNPFEDSA-N 0 3 365.499 2.110 20 30 FEEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@H](C)O1 ZINC000118894248 543660781 /nfs/dbraw/zinc/66/07/81/543660781.db2.gz VWOIDZKMBNDRNM-IYBDPMFKSA-N 0 3 374.489 2.150 20 30 FEEDHN N#CCCn1ccc(NC(=O)NC2CCN(CCc3ccncc3)CC2)n1 ZINC000118894034 543660787 /nfs/dbraw/zinc/66/07/87/543660787.db2.gz NYNDPHSGUFHYTM-UHFFFAOYSA-N 0 3 367.457 2.020 20 30 FEEDHN N#CCCN(Cc1ccccn1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000118887094 543661226 /nfs/dbraw/zinc/66/12/26/543661226.db2.gz DSUJTSIBIGXPGY-UHFFFAOYSA-N 0 3 356.470 2.359 20 30 FEEDHN C[C@H](C#N)Oc1ccc(CN2CCC(NC(=O)C3CCOCC3)CC2)cc1 ZINC000120079187 543675502 /nfs/dbraw/zinc/67/55/02/543675502.db2.gz CXKCQUTZQAVTJY-MRXNPFEDSA-N 0 3 371.481 2.485 20 30 FEEDHN N#Cc1ccc2ncc(CNC[C@@H](O)COc3ccc(F)c(F)c3)n2c1 ZINC000123661139 543775442 /nfs/dbraw/zinc/77/54/42/543775442.db2.gz JQKZLXAIMFYAJY-CQSZACIVSA-N 0 3 358.348 2.014 20 30 FEEDHN CN(C)C[C@H](O)COc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000126896383 543962389 /nfs/dbraw/zinc/96/23/89/543962389.db2.gz QQLVCCZLJJTVKU-IBGZPJMESA-N 0 3 367.449 2.431 20 30 FEEDHN C=C[C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000129267015 544101207 /nfs/dbraw/zinc/10/12/07/544101207.db2.gz SQASBNGVNULVRX-GOSISDBHSA-N 0 3 355.482 2.113 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000130673345 544160565 /nfs/dbraw/zinc/16/05/65/544160565.db2.gz SRRUXGAPDFVRFG-SZMVWBNQSA-N 0 3 356.470 2.264 20 30 FEEDHN C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000131019333 544174245 /nfs/dbraw/zinc/17/42/45/544174245.db2.gz SWCFNCQDXMKXKF-JQFCIGGWSA-N 0 3 360.433 2.095 20 30 FEEDHN CN(CCC#N)C(=O)CCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000131821659 544208222 /nfs/dbraw/zinc/20/82/22/544208222.db2.gz HDNNGMVYVCBUIF-SFHVURJKSA-N 0 3 371.485 2.425 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000132168166 544221375 /nfs/dbraw/zinc/22/13/75/544221375.db2.gz ZTJGBYVZSNAWTD-QGZVFWFLSA-N 0 3 357.454 2.404 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 ZINC000133060121 544254315 /nfs/dbraw/zinc/25/43/15/544254315.db2.gz QWTJOCTUOSZTIL-QGZVFWFLSA-N 0 3 364.534 2.221 20 30 FEEDHN CN(c1ccc(OCCN2CCCC2)cc1)S(=O)(=O)CCCC#N ZINC000135532462 544351306 /nfs/dbraw/zinc/35/13/06/544351306.db2.gz VVJKPMCVRHOBLF-UHFFFAOYSA-N 0 3 351.472 2.231 20 30 FEEDHN CCOc1ccnc(N2CCCN(CCOc3ccc(C#N)cc3)CC2)n1 ZINC000135780727 544360805 /nfs/dbraw/zinc/36/08/05/544360805.db2.gz XQKDBDAXXIIXFJ-UHFFFAOYSA-N 0 3 367.453 2.338 20 30 FEEDHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136325752 544371293 /nfs/dbraw/zinc/37/12/93/544371293.db2.gz BCZKMGNQXUOXDH-HNNXBMFYSA-N 0 3 360.433 2.407 20 30 FEEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000151604175 544561491 /nfs/dbraw/zinc/56/14/91/544561491.db2.gz UDERPVMFBQIDPP-MRXNPFEDSA-N 0 3 366.387 2.320 20 30 FEEDHN N#Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1 ZINC000180199768 327676258 /nfs/dbraw/zinc/67/62/58/327676258.db2.gz RNGFYTWNSVBWNM-UHFFFAOYSA-N 0 3 374.441 2.287 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)N3CCC[C@H](C)C3)CC2)o1 ZINC000189102649 328128818 /nfs/dbraw/zinc/12/88/18/328128818.db2.gz JOEASFQFWUNKHS-LSDHHAIUSA-N 0 3 373.501 2.308 20 30 FEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000191254864 328256712 /nfs/dbraw/zinc/25/67/12/328256712.db2.gz QRKMUKZQWJZNCZ-RDTXWAMCSA-N 0 3 350.422 2.304 20 30 FEEDHN C[C@H](CN1CCCCCC1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193310383 328368065 /nfs/dbraw/zinc/36/80/65/328368065.db2.gz DQSKRAKBWYLSFD-OAHLLOKOSA-N 0 3 373.501 2.434 20 30 FEEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2coc(-c3ccccc3)n2)c1C#N ZINC000089676817 325326890 /nfs/dbraw/zinc/32/68/90/325326890.db2.gz URICTWIHKSMHEW-UHFFFAOYSA-N 0 3 350.382 2.341 20 30 FEEDHN N#Cc1ccccc1N1CCC[C@@H](NC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000109165880 325660719 /nfs/dbraw/zinc/66/07/19/325660719.db2.gz ICHSXTNOWADYFJ-GOSISDBHSA-N 0 3 367.497 2.453 20 30 FEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000116447801 326015824 /nfs/dbraw/zinc/01/58/24/326015824.db2.gz URIUVWJAOKSSJR-UYAOXDASSA-N 0 3 373.497 2.171 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CC(C)C)C3)CC2)o1 ZINC000119369304 326154634 /nfs/dbraw/zinc/15/46/34/326154634.db2.gz BDSXQPNQSUMQHA-QGZVFWFLSA-N 0 3 373.501 2.261 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn2c1CCCC2 ZINC000126265308 326485956 /nfs/dbraw/zinc/48/59/56/326485956.db2.gz UACDEVRWLRRXIH-UHFFFAOYSA-N 0 3 351.454 2.295 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCC(N3CCCCC3=O)CC2)cc1 ZINC000153148389 326725194 /nfs/dbraw/zinc/72/51/94/326725194.db2.gz VNCDSIMTENLZEX-UHFFFAOYSA-N 0 3 354.454 2.364 20 30 FEEDHN COc1ccc(CNC[C@@H](O)CN2CCc3ccccc3C2)cc1C#N ZINC000174264242 327316193 /nfs/dbraw/zinc/31/61/93/327316193.db2.gz HMRYZZHHNKLHGD-HXUWFJFHSA-N 0 3 351.450 2.076 20 30 FEEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C1CCCCC1 ZINC000175948235 327423576 /nfs/dbraw/zinc/42/35/76/327423576.db2.gz CDLGZCULOSQLKW-QGZVFWFLSA-N 0 3 360.433 2.263 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000178445618 327585511 /nfs/dbraw/zinc/58/55/11/327585511.db2.gz TXKVRAUFTWCDHY-SFHVURJKSA-N 0 3 364.449 2.094 20 30 FEEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000250201577 328784962 /nfs/dbraw/zinc/78/49/62/328784962.db2.gz DCHSJRJEJMOOMZ-IIAWOOMASA-N 0 3 356.470 2.288 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000268164451 329392225 /nfs/dbraw/zinc/39/22/25/329392225.db2.gz QSHOARMAOSDVIV-QGZVFWFLSA-N 0 3 351.454 2.292 20 30 FEEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271824769 329728447 /nfs/dbraw/zinc/72/84/47/329728447.db2.gz PRRPXGGHYAFCCY-PHDITVQNSA-N 0 3 358.463 2.386 20 30 FEEDHN CCN(CC)C(=O)C[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272480311 329784559 /nfs/dbraw/zinc/78/45/59/329784559.db2.gz AWNMCUZAJGUUDL-YJBOKZPZSA-N 0 3 356.470 2.290 20 30 FEEDHN C#C[C@@H](NC(=O)N[C@@H]1CCN(CCOC)C1)c1ccc(Cl)cc1F ZINC000805136225 674321938 /nfs/dbraw/zinc/32/19/38/674321938.db2.gz AWQYRMQCQOCMKJ-CZUORRHYSA-N 0 3 353.825 2.173 20 30 FEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000555759286 674375277 /nfs/dbraw/zinc/37/52/77/674375277.db2.gz INJCKTSITKDGJA-ZWKOTPCHSA-N 0 3 363.845 2.060 20 30 FEEDHN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000156445351 545627961 /nfs/dbraw/zinc/62/79/61/545627961.db2.gz KCRIPQKGOXHFAG-NSHDSACASA-N 0 3 373.400 2.340 20 30 FEEDHN N#Cc1ccccc1S(=O)(=O)NC[C@H]1CCN(CCc2ccccc2)C1 ZINC000157203953 545713831 /nfs/dbraw/zinc/71/38/31/545713831.db2.gz YXZXUJYZSIWLJR-GOSISDBHSA-N 0 3 369.490 2.401 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000159231804 545934145 /nfs/dbraw/zinc/93/41/45/545934145.db2.gz LVCCANHAJXXCKY-CRAIPNDOSA-N 0 3 361.511 2.424 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000159231669 545934722 /nfs/dbraw/zinc/93/47/22/545934722.db2.gz LVCCANHAJXXCKY-YJBOKZPZSA-N 0 3 361.511 2.424 20 30 FEEDHN CC(C)Oc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1C#N ZINC000160180505 546014315 /nfs/dbraw/zinc/01/43/15/546014315.db2.gz COIZGDVALQONMI-OAHLLOKOSA-N 0 3 372.469 2.132 20 30 FEEDHN C=CCNC(=O)c1ccc(NC(=O)NC2CCN(CCCOC)CC2)cc1 ZINC000171151732 546192775 /nfs/dbraw/zinc/19/27/75/546192775.db2.gz RGAPVLDMGHOYBQ-UHFFFAOYSA-N 0 3 374.485 2.225 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Cn3cncn3)cc2)CC1 ZINC000171552342 546213832 /nfs/dbraw/zinc/21/38/32/546213832.db2.gz QBCGHAGFLHZHIX-UHFFFAOYSA-N 0 3 368.485 2.166 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(CC(=O)OCC)cs2)CC1 ZINC000171548239 546214140 /nfs/dbraw/zinc/21/41/40/546214140.db2.gz MYLVVRBGXPHKOE-UHFFFAOYSA-N 0 3 366.487 2.411 20 30 FEEDHN C=CCN1CCC(NC(=O)C[C@H](NC(C)=O)c2ccccc2OCC)CC1 ZINC000171715027 546220588 /nfs/dbraw/zinc/22/05/88/546220588.db2.gz AZPJWCBAWSLMPK-IBGZPJMESA-N 0 3 373.497 2.419 20 30 FEEDHN C=CCN1CCC(NC(=O)NCc2cccc(C(=O)NCCC)c2)CC1 ZINC000171712124 546220932 /nfs/dbraw/zinc/22/09/32/546220932.db2.gz LTMGROFFIQINGY-UHFFFAOYSA-N 0 3 358.486 2.276 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)c2nnn(-c3ccc(OC)cc3)c2C)CC1 ZINC000171729412 546222307 /nfs/dbraw/zinc/22/23/07/546222307.db2.gz JZWUQRQTOFVGNL-UHFFFAOYSA-N 0 3 369.469 2.355 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)CC1 ZINC000171737887 546223735 /nfs/dbraw/zinc/22/37/35/546223735.db2.gz RHKRDECCCLYPHT-KRWDZBQOSA-N 0 3 354.458 2.152 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)CC1 ZINC000171737887 546223737 /nfs/dbraw/zinc/22/37/37/546223737.db2.gz RHKRDECCCLYPHT-KRWDZBQOSA-N 0 3 354.458 2.152 20 30 FEEDHN C=CCN(CC(=O)N1CCN(c2cnccn2)CC1)CC1CCCCC1 ZINC000171963512 546231451 /nfs/dbraw/zinc/23/14/51/546231451.db2.gz UYCXHADTWPJZMT-UHFFFAOYSA-N 0 3 357.502 2.194 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccn(Cc3ccncc3)n2)CC1 ZINC000172369141 546249615 /nfs/dbraw/zinc/24/96/15/546249615.db2.gz NILOOJSWMOMRFB-UHFFFAOYSA-N 0 3 354.458 2.488 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1 ZINC000173196950 546275618 /nfs/dbraw/zinc/27/56/18/546275618.db2.gz JDOQRMDLNJEYFF-YJBOKZPZSA-N 0 3 356.470 2.130 20 30 FEEDHN C=CCN1CCC(N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173398279 546280478 /nfs/dbraw/zinc/28/04/78/546280478.db2.gz DNPJLJDPRJYFNZ-OAHLLOKOSA-N 0 3 351.516 2.238 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(F)cn2)cc1 ZINC000481003977 561222740 /nfs/dbraw/zinc/22/27/40/561222740.db2.gz VCMSUAOOTDEWHM-LLVKDONJSA-N 0 3 362.386 2.228 20 30 FEEDHN N#Cc1ccc(CS(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c(F)c1 ZINC000481017988 561222941 /nfs/dbraw/zinc/22/29/41/561222941.db2.gz DJTYFXKOEPBUBF-HNNXBMFYSA-N 0 3 351.447 2.134 20 30 FEEDHN C=CCN1CCC(N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000177908632 546705978 /nfs/dbraw/zinc/70/59/78/546705978.db2.gz MDBAHTDSDBDSSC-CQSZACIVSA-N 0 3 352.500 2.400 20 30 FEEDHN CCCN(C(=O)Cn1cnc(C#N)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000178496678 546803653 /nfs/dbraw/zinc/80/36/53/546803653.db2.gz MYWJPIHLYSSMFQ-SFHVURJKSA-N 0 3 366.469 2.053 20 30 FEEDHN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000180673810 547155108 /nfs/dbraw/zinc/15/51/08/547155108.db2.gz FTLXQHSEQNMWSL-UHFFFAOYSA-N 0 3 361.511 2.251 20 30 FEEDHN N#Cc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cc1 ZINC000180879266 547200455 /nfs/dbraw/zinc/20/04/55/547200455.db2.gz DYJKFBAISNRIMC-OAQYLSRUSA-N 0 3 363.461 2.374 20 30 FEEDHN COc1cnccc1N1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000483193434 561269927 /nfs/dbraw/zinc/26/99/27/561269927.db2.gz IHTPFPBZGLGEEI-OAHLLOKOSA-N 0 3 365.437 2.111 20 30 FEEDHN N#Cc1cccc(CNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000181573696 547339227 /nfs/dbraw/zinc/33/92/27/547339227.db2.gz QRQIACYWQGKYFH-HXUWFJFHSA-N 0 3 364.449 2.124 20 30 FEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000181665573 547355566 /nfs/dbraw/zinc/35/55/66/547355566.db2.gz OFOVXGAMPPBOHL-JYJNAYRXSA-N 0 3 372.469 2.153 20 30 FEEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000183186076 547617540 /nfs/dbraw/zinc/61/75/40/547617540.db2.gz UHVUIRRNVBRNGH-IXDOHACOSA-N 0 3 358.511 2.189 20 30 FEEDHN N#CC(C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1nnc2n1CCCCC2 ZINC000183514206 547673715 /nfs/dbraw/zinc/67/37/15/547673715.db2.gz RYAACLJTDQODOY-GJZGRUSLSA-N 0 3 367.409 2.057 20 30 FEEDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183648960 547695342 /nfs/dbraw/zinc/69/53/42/547695342.db2.gz JNTKKYSPNKOHPD-UHFFFAOYSA-N 0 3 373.906 2.191 20 30 FEEDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000484654822 561302560 /nfs/dbraw/zinc/30/25/60/561302560.db2.gz SAVLGKNDVDSRHJ-XFHVWQCUSA-N 0 3 351.491 2.089 20 30 FEEDHN C=CC[C@@H](CO)NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000184278224 547799103 /nfs/dbraw/zinc/79/91/03/547799103.db2.gz CIERHCLQIOWIKY-INIZCTEOSA-N 0 3 354.878 2.078 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000185797458 548036889 /nfs/dbraw/zinc/03/68/89/548036889.db2.gz PPTPWQZJCOLYAL-MRXNPFEDSA-N 0 3 363.483 2.110 20 30 FEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000186699984 548175541 /nfs/dbraw/zinc/17/55/41/548175541.db2.gz LTFQDTFRPPEHKH-DOTOQJQBSA-N 0 3 352.500 2.449 20 30 FEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000186717807 548179884 /nfs/dbraw/zinc/17/98/84/548179884.db2.gz QEQMFPYCXKAJCO-HOCLYGCPSA-N 0 3 364.467 2.346 20 30 FEEDHN C=CCCOCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190620513 548330180 /nfs/dbraw/zinc/33/01/80/548330180.db2.gz JIRAKLRDQDYHKS-LJQANCHMSA-N 0 3 361.486 2.169 20 30 FEEDHN C[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245900445 549015315 /nfs/dbraw/zinc/01/53/15/549015315.db2.gz SCAYGSURZXQGDK-VQIMIIECSA-N 0 3 358.461 2.409 20 30 FEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000245997802 549033824 /nfs/dbraw/zinc/03/38/24/549033824.db2.gz ISJMWIRWMQGQQA-LEWJYISDSA-N 0 3 368.525 2.243 20 30 FEEDHN C[C@@H]1CN(C[C@H]2CCCN2CCC(=O)Nc2ccccc2C#N)C[C@H](C)O1 ZINC000246090620 549049595 /nfs/dbraw/zinc/04/95/95/549049595.db2.gz GGKMXPJMHGUNHI-ZIFCJYIRSA-N 0 3 370.497 2.460 20 30 FEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000246292724 549098663 /nfs/dbraw/zinc/09/86/63/549098663.db2.gz VIOKMERERRAKSV-JKSUJKDBSA-N 0 3 356.470 2.070 20 30 FEEDHN N#Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)ccc1F ZINC000246764507 549206359 /nfs/dbraw/zinc/20/63/59/549206359.db2.gz YIGXVGVUARGFBZ-UGSOOPFHSA-N 0 3 363.458 2.335 20 30 FEEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C)CCC[C@H]3C)CC2)o1 ZINC000246999572 549261310 /nfs/dbraw/zinc/26/13/10/549261310.db2.gz TVBUDMAUFQQEBP-LSDHHAIUSA-N 0 3 359.474 2.014 20 30 FEEDHN COC(=O)[C@H](C)[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000252652823 549675583 /nfs/dbraw/zinc/67/55/83/549675583.db2.gz XQAQYLZROCISLW-XFQXTVEOSA-N 0 3 368.433 2.438 20 30 FEEDHN C=C[C@@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000252801225 549678743 /nfs/dbraw/zinc/67/87/43/549678743.db2.gz ACFKMIJDHZVMLA-HKUYNNGSSA-N 0 3 355.482 2.111 20 30 FEEDHN CCN(CC)C(=O)CCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000263668401 549916834 /nfs/dbraw/zinc/91/68/34/549916834.db2.gz DNAFQHZJQLQBEL-UHFFFAOYSA-N 0 3 372.513 2.487 20 30 FEEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@H](C(=O)OC)C2)c(OC)c1 ZINC000263880453 549950400 /nfs/dbraw/zinc/95/04/00/549950400.db2.gz LLRPPUWNRZEXAI-DLBZAZTESA-N 0 3 363.454 2.048 20 30 FEEDHN N#CCCN(C(=O)CCC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000263968432 549961765 /nfs/dbraw/zinc/96/17/65/549961765.db2.gz LETOFRMLHZFSBE-UHFFFAOYSA-N 0 3 356.470 2.316 20 30 FEEDHN COCCN(C)CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264139789 549983851 /nfs/dbraw/zinc/98/38/51/549983851.db2.gz XMDIHFIUJJNAGN-UHFFFAOYSA-N 0 3 374.485 2.079 20 30 FEEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000264323473 549994652 /nfs/dbraw/zinc/99/46/52/549994652.db2.gz BKUQTMIICLWCLZ-IYBDPMFKSA-N 0 3 373.501 2.467 20 30 FEEDHN CCCCN(C)CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000491052621 561442358 /nfs/dbraw/zinc/44/23/58/561442358.db2.gz MOQMJWYWBXZVTN-UHFFFAOYSA-N 0 3 361.465 2.261 20 30 FEEDHN CN(C)C1(CNC(=O)Cc2ccc(OCC#N)cc2)Cc2ccccc2C1 ZINC000265948477 550015532 /nfs/dbraw/zinc/01/55/32/550015532.db2.gz YFQFWKSLQOOAGO-UHFFFAOYSA-N 0 3 363.461 2.347 20 30 FEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1CNCCO1 ZINC000269220682 550168816 /nfs/dbraw/zinc/16/88/16/550168816.db2.gz JXKMOYPGCIJHPG-CQSZACIVSA-N 0 3 371.250 2.481 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000271052784 550335631 /nfs/dbraw/zinc/33/56/31/550335631.db2.gz TYLFIWSYDZHGKU-OAHLLOKOSA-N 0 3 358.486 2.397 20 30 FEEDHN C=CCN(CCOc1ccc(S(N)(=O)=O)cc1)CCc1ccco1 ZINC000272323263 550437793 /nfs/dbraw/zinc/43/77/93/550437793.db2.gz UUXGUUJWYMYUHX-UHFFFAOYSA-N 0 3 350.440 2.037 20 30 FEEDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272724435 550467142 /nfs/dbraw/zinc/46/71/42/550467142.db2.gz FXIVKLJNKGTOAU-GOSISDBHSA-N 0 3 371.485 2.035 20 30 FEEDHN CN(C)CCOc1cnccc1CNC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000494684064 561474081 /nfs/dbraw/zinc/47/40/81/561474081.db2.gz CRMLIUUWUUDROH-GOSISDBHSA-N 0 3 366.465 2.411 20 30 FEEDHN CN(C)Cc1cccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000277656521 550697374 /nfs/dbraw/zinc/69/73/74/550697374.db2.gz ZLWXWVMDEBIEMG-UHFFFAOYSA-N 0 3 362.433 2.364 20 30 FEEDHN C=CC[C@@H]1N(CC(=O)NCc2ccc(OCC(N)=O)cc2)CCCC1(C)C ZINC000277702495 550703975 /nfs/dbraw/zinc/70/39/75/550703975.db2.gz HVZTXWMIRKOSEJ-SFHVURJKSA-N 0 3 373.497 2.234 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCC(Oc3ncccc3F)CC2)CC1 ZINC000277982455 550735447 /nfs/dbraw/zinc/73/54/47/550735447.db2.gz AENWRLJGXUIRBY-UHFFFAOYSA-N 0 3 362.449 2.424 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000278470925 550789932 /nfs/dbraw/zinc/78/99/32/550789932.db2.gz QJUIMHWRSRYYSM-MRXNPFEDSA-N 0 3 355.841 2.462 20 30 FEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(OCC#N)c1 ZINC000278509997 550793803 /nfs/dbraw/zinc/79/38/03/550793803.db2.gz MVDYPRHEMAGXCD-OAHLLOKOSA-N 0 3 358.442 2.306 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000278701687 550813054 /nfs/dbraw/zinc/81/30/54/550813054.db2.gz SYYARDYQMXHTHJ-HIFRSBDPSA-N 0 3 365.455 2.453 20 30 FEEDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000278982972 550843027 /nfs/dbraw/zinc/84/30/27/550843027.db2.gz ZKHWDZNWUZQYJR-AWEZNQCLSA-N 0 3 359.474 2.044 20 30 FEEDHN CCO[C@@H]1C[C@@H](NCc2cn(CCC#N)nc2-c2ccncc2)[C@H]1OC ZINC000279331741 550878536 /nfs/dbraw/zinc/87/85/36/550878536.db2.gz CZOOGSREGTUZPU-ZHALLVOQSA-N 0 3 355.442 2.141 20 30 FEEDHN CCCCNC(=O)[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279553760 550902526 /nfs/dbraw/zinc/90/25/26/550902526.db2.gz OFOXFGOWKIYYRK-MOPGFXCFSA-N 0 3 366.465 2.395 20 30 FEEDHN COCCCOC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280548838 551006600 /nfs/dbraw/zinc/00/66/00/551006600.db2.gz ZZZPOGAVOLKKQA-SFHVURJKSA-N 0 3 355.438 2.285 20 30 FEEDHN COC(=O)[C@H]1CC12CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000280899892 551043917 /nfs/dbraw/zinc/04/39/17/551043917.db2.gz MUGNQPPNFSGLBH-IAGOWNOFSA-N 0 3 351.406 2.042 20 30 FEEDHN CN(C)CC1(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000280919173 551045670 /nfs/dbraw/zinc/04/56/70/551045670.db2.gz AUFRIJADPQAQBR-UHFFFAOYSA-N 0 3 361.389 2.340 20 30 FEEDHN CNC(=O)[C@]1(C)CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000281263555 551079033 /nfs/dbraw/zinc/07/90/33/551079033.db2.gz VOIJGMMUVZZECU-OXQOHEQNSA-N 0 3 356.470 2.088 20 30 FEEDHN CCC[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1CCOC ZINC000281644676 551124798 /nfs/dbraw/zinc/12/47/98/551124798.db2.gz RIGAZHUZNKDLMC-PMACEKPBSA-N 0 3 368.481 2.200 20 30 FEEDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCOc1ccccc1C#N ZINC000497584623 561504248 /nfs/dbraw/zinc/50/42/48/561504248.db2.gz IAWFHGDCDMAFGI-CQSZACIVSA-N 0 3 359.451 2.277 20 30 FEEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC000282759649 551267258 /nfs/dbraw/zinc/26/72/58/551267258.db2.gz BZJDCWQILXPDAR-UHFFFAOYSA-N 0 3 374.533 2.112 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCSc2ccccc2)CC1 ZINC000283438248 551366383 /nfs/dbraw/zinc/36/63/83/551366383.db2.gz JTJIMVVUDGZHBQ-UHFFFAOYSA-N 0 3 361.511 2.052 20 30 FEEDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1sccc1C#N ZINC000497987980 561513332 /nfs/dbraw/zinc/51/33/32/561513332.db2.gz FEIILQPQUYZQAK-HNNXBMFYSA-N 0 3 363.483 2.499 20 30 FEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000284360559 551532536 /nfs/dbraw/zinc/53/25/36/551532536.db2.gz BHHVHWDOJBJWOT-INIZCTEOSA-N 0 3 370.497 2.143 20 30 FEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000498489227 561525744 /nfs/dbraw/zinc/52/57/44/561525744.db2.gz WUQCJGAEZFPKGI-QRQLOZEOSA-N 0 3 370.497 2.443 20 30 FEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000498593085 561529862 /nfs/dbraw/zinc/52/98/62/561529862.db2.gz OWNHCVDMKNSNGX-SFHVURJKSA-N 0 3 367.515 2.297 20 30 FEEDHN CSc1cc(Br)ccc1CNCCn1cnc(C#N)n1 ZINC000285381885 551746645 /nfs/dbraw/zinc/74/66/45/551746645.db2.gz CUYLIKACASPDTK-UHFFFAOYSA-N 0 3 352.261 2.424 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)COCc1nnc(C)s1)C(C)C ZINC000285487173 551764361 /nfs/dbraw/zinc/76/43/61/551764361.db2.gz ILJJHUKMCANHQH-OAHLLOKOSA-N 0 3 352.504 2.178 20 30 FEEDHN CCN1CCN(Cc2ccccc2CNc2nc(C)cc(C#N)n2)CC1 ZINC000286075972 551845864 /nfs/dbraw/zinc/84/58/64/551845864.db2.gz JKONDOZRVZUTNO-UHFFFAOYSA-N 0 3 350.470 2.406 20 30 FEEDHN N#Cc1ccc(N2CC[C@H](C(=O)NC3CCN(C4CC4)CC3)C2)c(F)c1 ZINC000286381474 551881325 /nfs/dbraw/zinc/88/13/25/551881325.db2.gz QHGFPCGFFOTBMV-HNNXBMFYSA-N 0 3 356.445 2.267 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2nc(C(C)C)cs2)CC1 ZINC000286420112 551884777 /nfs/dbraw/zinc/88/47/77/551884777.db2.gz FTURNOGLISNHLE-UHFFFAOYSA-N 0 3 364.515 2.039 20 30 FEEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(n3c(C)ccc3C)CC2)CC1 ZINC000286754618 551922650 /nfs/dbraw/zinc/92/26/50/551922650.db2.gz SZCZJCGWTJBNPN-UHFFFAOYSA-N 0 3 372.513 2.035 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000286831942 551931130 /nfs/dbraw/zinc/93/11/30/551931130.db2.gz XHBNWEKMXHGAGW-HXUWFJFHSA-N 0 3 369.509 2.159 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCOC(C)(C)C2)cc1 ZINC000287041935 551955316 /nfs/dbraw/zinc/95/53/16/551955316.db2.gz GHVFAFOUSCEWDP-OCCSQVGLSA-N 0 3 365.455 2.451 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CCO)C(C)(C)C)cc1 ZINC000287104657 551963880 /nfs/dbraw/zinc/96/38/80/551963880.db2.gz JSEOGJQVRRFUNT-DOMZBBRYSA-N 0 3 367.471 2.291 20 30 FEEDHN C#CCSCCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000287637265 552028530 /nfs/dbraw/zinc/02/85/30/552028530.db2.gz NOJJAIHSACAMRO-UHFFFAOYSA-N 0 3 356.495 2.208 20 30 FEEDHN CCN(CCC#N)S(=O)(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000499497356 561552393 /nfs/dbraw/zinc/55/23/93/561552393.db2.gz YCFJAPYKSJSZNX-GOSISDBHSA-N 0 3 364.515 2.111 20 30 FEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 ZINC000288217556 552112420 /nfs/dbraw/zinc/11/24/20/552112420.db2.gz JIWFSSIYTHBDGA-UHFFFAOYSA-N 0 3 358.417 2.029 20 30 FEEDHN Cc1[nH]nc(NC(=O)c2cnn(CCN(C)C)c2-c2ccccc2)c1C#N ZINC000288245830 552118095 /nfs/dbraw/zinc/11/80/95/552118095.db2.gz UBNUVCMTVMIXHM-UHFFFAOYSA-N 0 3 363.425 2.267 20 30 FEEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H](N4CCCC4)C[C@@H]3C)CC2)o1 ZINC000288301715 552128791 /nfs/dbraw/zinc/12/87/91/552128791.db2.gz IAYSUFRMOIADGY-WMLDXEAASA-N 0 3 371.485 2.156 20 30 FEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000289241857 552287431 /nfs/dbraw/zinc/28/74/31/552287431.db2.gz WVYUWMIWKSITHU-IBGZPJMESA-N 0 3 363.461 2.438 20 30 FEEDHN Cc1onc(CC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1C#N ZINC000500359976 561570753 /nfs/dbraw/zinc/57/07/53/561570753.db2.gz HLBYMLCBXWLGRY-CYBMUJFWSA-N 0 3 353.426 2.134 20 30 FEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290173019 552438161 /nfs/dbraw/zinc/43/81/61/552438161.db2.gz PAELUJNFZIBHGL-MRXNPFEDSA-N 0 3 356.470 2.056 20 30 FEEDHN C#Cc1ccc(CNCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)cc1 ZINC000290499235 552488915 /nfs/dbraw/zinc/48/89/15/552488915.db2.gz WLJPBKIIPZKPRJ-UHFFFAOYSA-N 0 3 371.458 2.046 20 30 FEEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)Cn1cccn1 ZINC000501236641 561593042 /nfs/dbraw/zinc/59/30/42/561593042.db2.gz SRSAMNXVHSBDMV-HOTGVXAUSA-N 0 3 355.442 2.205 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(Cn2cccn2)on1)C(C)C ZINC000292144048 552698168 /nfs/dbraw/zinc/69/81/68/552698168.db2.gz FERXQMSPOSJOFW-GOSISDBHSA-N 0 3 357.458 2.348 20 30 FEEDHN N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@@H]3CCCCN3C3CC3)C2)nc1 ZINC000292699937 552750702 /nfs/dbraw/zinc/75/07/02/552750702.db2.gz QOWUHHMDTPLMME-ZWKOTPCHSA-N 0 3 369.469 2.133 20 30 FEEDHN CN(C)[C@]1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCSC1 ZINC000293317746 552810866 /nfs/dbraw/zinc/81/08/66/552810866.db2.gz UTRKASAMFCNAEL-AWEZNQCLSA-N 0 3 358.389 2.139 20 30 FEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000293338229 552812809 /nfs/dbraw/zinc/81/28/09/552812809.db2.gz JXORTBWAFWUIRD-UHFFFAOYSA-N 0 3 365.861 2.137 20 30 FEEDHN C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000501728330 561604198 /nfs/dbraw/zinc/60/41/98/561604198.db2.gz GHAJAFVZUONMTH-IEBWSBKVSA-N 0 3 355.482 2.214 20 30 FEEDHN C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)N1CCC(C)CC1 ZINC000294273655 552893005 /nfs/dbraw/zinc/89/30/05/552893005.db2.gz GDOFOJHUUWUHPP-CQSZACIVSA-N 0 3 353.463 2.237 20 30 FEEDHN CO[C@@]1(C)C[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000295093521 552958378 /nfs/dbraw/zinc/95/83/78/552958378.db2.gz AHHNWQDMPUXIBY-JXFKEZNVSA-N 0 3 367.453 2.476 20 30 FEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)C2(N)CCC2)nc1C ZINC000295911098 553074800 /nfs/dbraw/zinc/07/48/00/553074800.db2.gz ZNXXBUWWLPUEQM-UHFFFAOYSA-N 0 3 350.473 2.005 20 30 FEEDHN CCN(C)CCNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000502468600 561619183 /nfs/dbraw/zinc/61/91/83/561619183.db2.gz DXRYYZRCPFOWRC-UHFFFAOYSA-N 0 3 370.413 2.053 20 30 FEEDHN C#CCN(C)CCCNC(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000296871315 553223057 /nfs/dbraw/zinc/22/30/57/553223057.db2.gz ZRFUHFBRYLIVHZ-UHFFFAOYSA-N 0 3 373.432 2.063 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000296884820 553225089 /nfs/dbraw/zinc/22/50/89/553225089.db2.gz LZRASSRRQADPIC-QGZVFWFLSA-N 0 3 353.470 2.165 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000297484320 553298337 /nfs/dbraw/zinc/29/83/37/553298337.db2.gz MUUIWYAKUJCMPE-HSALFYBXSA-N 0 3 355.482 2.156 20 30 FEEDHN C#CCN(C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000297509509 553301929 /nfs/dbraw/zinc/30/19/29/553301929.db2.gz OYYMDWYJIDIQOA-UXHICEINSA-N 0 3 365.481 2.366 20 30 FEEDHN C=CCCN(C)C(=O)C(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000297894876 553354052 /nfs/dbraw/zinc/35/40/52/553354052.db2.gz VUEHGIMDBOJTBI-LJQANCHMSA-N 0 3 357.498 2.392 20 30 FEEDHN N#CCCN(CCC#N)C(=O)CN[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000503525930 561643842 /nfs/dbraw/zinc/64/38/42/561643842.db2.gz LOUMXGXFVLEQBV-RTBURBONSA-N 0 3 354.454 2.370 20 30 FEEDHN COC[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1 ZINC000298584225 553444433 /nfs/dbraw/zinc/44/44/33/553444433.db2.gz RDUSIBZXQOEWGB-JKSUJKDBSA-N 0 3 351.834 2.324 20 30 FEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000298875925 553483976 /nfs/dbraw/zinc/48/39/76/553483976.db2.gz LWDVEFJPHHDWMD-STQMWFEESA-N 0 3 373.457 2.021 20 30 FEEDHN Cc1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N(C)C)cc1 ZINC000301372902 553646228 /nfs/dbraw/zinc/64/62/28/553646228.db2.gz QEHZAFISHYWGER-GOSISDBHSA-N 0 3 358.467 2.229 20 30 FEEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2nn(C)cc2C#N)C1 ZINC000602885483 553659891 /nfs/dbraw/zinc/65/98/91/553659891.db2.gz FKDDYNLYLKAZIN-QGZVFWFLSA-N 0 3 352.442 2.072 20 30 FEEDHN COC[C@@H]1CN(C(=O)NCCN2CCC3(CCCCC3)CC2)CCO1 ZINC000328608207 553795704 /nfs/dbraw/zinc/79/57/04/553795704.db2.gz LVISCHJJDVGTLS-KRWDZBQOSA-N 0 3 353.507 2.294 20 30 FEEDHN O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000328660342 553803615 /nfs/dbraw/zinc/80/36/15/553803615.db2.gz VFMOJBCONLAQFA-BBRMVZONSA-N 0 3 371.437 2.004 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000328684869 553806633 /nfs/dbraw/zinc/80/66/33/553806633.db2.gz PXGJUDLDSOAEEH-IEBWSBKVSA-N 0 3 374.529 2.436 20 30 FEEDHN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)NC[C@H]1CCCCN1C1CC1 ZINC000328745089 553816089 /nfs/dbraw/zinc/81/60/89/553816089.db2.gz KSQMQVVIZDIHQG-CGTJXYLNSA-N 0 3 365.518 2.075 20 30 FEEDHN C[C@H](CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)N(C)C1CC1 ZINC000328773471 553820253 /nfs/dbraw/zinc/82/02/53/553820253.db2.gz HLEYKAYDUMTWJK-CZUORRHYSA-N 0 3 373.453 2.250 20 30 FEEDHN CCN1CCN([C@@H](C)CNC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000328806527 553824983 /nfs/dbraw/zinc/82/49/83/553824983.db2.gz DGCHYHQXNSUIKM-ZDUSSCGKSA-N 0 3 351.520 2.374 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328819714 553827411 /nfs/dbraw/zinc/82/74/11/553827411.db2.gz ONUIGLUXKVHRPK-FUHWJXTLSA-N 0 3 365.518 2.435 20 30 FEEDHN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000328940856 553849952 /nfs/dbraw/zinc/84/99/52/553849952.db2.gz FDBOOPAYJWAGBJ-GUDVDZBRSA-N 0 3 365.518 2.086 20 30 FEEDHN C[C@@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCCC2)C[C@H]1C(N)=O ZINC000328950721 553851683 /nfs/dbraw/zinc/85/16/83/553851683.db2.gz CIQWERJCPCZKMM-HZPDHXFCSA-N 0 3 366.506 2.081 20 30 FEEDHN Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)CC(=O)N1C ZINC000328981655 553857949 /nfs/dbraw/zinc/85/79/49/553857949.db2.gz DSJKNXQALNWJRB-SZVBFZGTSA-N 0 3 373.501 2.446 20 30 FEEDHN CO[C@H]1C[C@@H](CO)N(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000329030328 553867653 /nfs/dbraw/zinc/86/76/53/553867653.db2.gz WXQLZVYHGHQZDP-IRXDYDNUSA-N 0 3 353.507 2.028 20 30 FEEDHN C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)N1CCC(C)CC1 ZINC000329124652 553884866 /nfs/dbraw/zinc/88/48/66/553884866.db2.gz LYNBAZPBDGLVSL-RMJJICAUSA-N 0 3 367.534 2.273 20 30 FEEDHN CN1CCOC[C@@H]1C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000329131674 553886481 /nfs/dbraw/zinc/88/64/81/553886481.db2.gz OXKZILDVQOPEHC-NVXWUHKLSA-N 0 3 360.458 2.352 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000329143583 553888496 /nfs/dbraw/zinc/88/84/96/553888496.db2.gz VQTVPBGFEROIMR-SPUZQDLCSA-N 0 3 371.485 2.038 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)[C@@H]2C1 ZINC000329257236 553912452 /nfs/dbraw/zinc/91/24/52/553912452.db2.gz BVRVMEGRUOLSMM-KBAYOESNSA-N 0 3 362.518 2.108 20 30 FEEDHN CC(=O)NC1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000329301605 553920937 /nfs/dbraw/zinc/92/09/37/553920937.db2.gz MZKLUYCIWHOIAF-OOHWJJMZSA-N 0 3 366.506 2.373 20 30 FEEDHN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000329310271 553922527 /nfs/dbraw/zinc/92/25/27/553922527.db2.gz PLNWCSQKHPOKGW-AEFFLSMTSA-N 0 3 358.486 2.498 20 30 FEEDHN O=C(N[C@H]1CCN(C2CC2)C1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000329320838 553924693 /nfs/dbraw/zinc/92/46/93/553924693.db2.gz UGZVHKBWXZNKFL-HNNXBMFYSA-N 0 3 374.460 2.171 20 30 FEEDHN N#Cc1cnn(-c2ccc(C(=O)N3CC[C@H](N4CCCCC4)C3)cc2)c1N ZINC000329329823 553926345 /nfs/dbraw/zinc/92/63/45/553926345.db2.gz VMXHTQIIJVYFER-SFHVURJKSA-N 0 3 364.453 2.027 20 30 FEEDHN C[C@H](NC(=O)NCCc1cc(F)cc2c1OCOC2)C1=CCN(C)CC1 ZINC000329338566 553928091 /nfs/dbraw/zinc/92/80/91/553928091.db2.gz NESSNCFUJHLEIQ-ZDUSSCGKSA-N 0 3 363.433 2.389 20 30 FEEDHN Cc1nc([C@@H]2CCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000329427959 553944430 /nfs/dbraw/zinc/94/44/30/553944430.db2.gz JKFHRPQIKCKKPM-AEFFLSMTSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1n[nH]c([C@@H]2CCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000329427959 553944432 /nfs/dbraw/zinc/94/44/32/553944432.db2.gz JKFHRPQIKCKKPM-AEFFLSMTSA-N 0 3 364.453 2.360 20 30 FEEDHN Cc1nnc([C@@H]2CCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427959 553944434 /nfs/dbraw/zinc/94/44/34/553944434.db2.gz JKFHRPQIKCKKPM-AEFFLSMTSA-N 0 3 364.453 2.360 20 30 FEEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](c4nc[nH]n4)C3)C2=O)cc1 ZINC000329468902 553952383 /nfs/dbraw/zinc/95/23/83/553952383.db2.gz XRJFOKSYGYOBDV-WBVHZDCISA-N 0 3 350.426 2.051 20 30 FEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 ZINC000329591436 553973057 /nfs/dbraw/zinc/97/30/57/553973057.db2.gz ZYFWTHRRMHRUSZ-IXDOHACOSA-N 0 3 351.491 2.045 20 30 FEEDHN Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)CC2)cc1 ZINC000329805032 554009210 /nfs/dbraw/zinc/00/92/10/554009210.db2.gz MOALJBZMGKACKG-FUHWJXTLSA-N 0 3 358.486 2.150 20 30 FEEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CN1CCOCC1=O ZINC000329836120 554015899 /nfs/dbraw/zinc/01/58/99/554015899.db2.gz HRSBBYWSQGGYKB-GOSISDBHSA-N 0 3 373.497 2.275 20 30 FEEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@@H]3CCCN(C)C3)C2)n1 ZINC000329920509 554031582 /nfs/dbraw/zinc/03/15/82/554031582.db2.gz DZQAFUDGHJJUPB-MJGOQNOKSA-N 0 3 369.513 2.278 20 30 FEEDHN CCN1CCN(c2cccc(NC(=O)NC3CCN(C(C)=O)CC3)c2)CC1 ZINC000329931880 554034324 /nfs/dbraw/zinc/03/43/24/554034324.db2.gz PEPGPETVSHGONR-UHFFFAOYSA-N 0 3 373.501 2.165 20 30 FEEDHN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000329933667 554034942 /nfs/dbraw/zinc/03/49/42/554034942.db2.gz QEPRUYFIDVPNIQ-IPELMVKDSA-N 0 3 358.486 2.164 20 30 FEEDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CC1=O ZINC000329940907 554035977 /nfs/dbraw/zinc/03/59/77/554035977.db2.gz GLZWFSVLEFMOJV-AOIWGVFYSA-N 0 3 370.497 2.165 20 30 FEEDHN CCN1CCN(C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1c1ncc[nH]1 ZINC000329948297 554037408 /nfs/dbraw/zinc/03/74/08/554037408.db2.gz YWWAQRVCAPKCHT-INIZCTEOSA-N 0 3 362.522 2.267 20 30 FEEDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1CC[C@@H](CCO)C1 ZINC000329964578 554040317 /nfs/dbraw/zinc/04/03/17/554040317.db2.gz UOVWCQWPZXXVHQ-GRTSSRMGSA-N 0 3 363.424 2.410 20 30 FEEDHN Cc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1N1CCNC1=O ZINC000330196843 554083065 /nfs/dbraw/zinc/08/30/65/554083065.db2.gz QYVSROWOQSHVJV-RHSMWYFYSA-N 0 3 357.458 2.301 20 30 FEEDHN COC1CCC(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000330205999 554085253 /nfs/dbraw/zinc/08/52/53/554085253.db2.gz CWLKESFJLNPMOR-HJOIGYKYSA-N 0 3 353.507 2.291 20 30 FEEDHN C[C@@H]1C[C@@H](CCNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CCO1 ZINC000330231923 554089736 /nfs/dbraw/zinc/08/97/36/554089736.db2.gz RGCNYJWKDIFREZ-ZACQAIPSSA-N 0 3 353.507 2.291 20 30 FEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000330239579 554090805 /nfs/dbraw/zinc/09/08/05/554090805.db2.gz DVSHCYKCIREULM-YJBOKZPZSA-N 0 3 359.470 2.089 20 30 FEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000330258578 554094792 /nfs/dbraw/zinc/09/47/92/554094792.db2.gz RLMSOVFAEQYBAG-YRGVVPAESA-N 0 3 370.497 2.335 20 30 FEEDHN Cc1nccn1C[C@H](C)C[NH+]=C([O-])N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330276439 554097746 /nfs/dbraw/zinc/09/77/46/554097746.db2.gz MXCQXNRUUKASBS-VKJFTORMSA-N 0 3 350.463 2.012 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC000330378701 554113455 /nfs/dbraw/zinc/11/34/55/554113455.db2.gz ROVOLGHFOFBAGD-HRCADAONSA-N 0 3 358.552 2.059 20 30 FEEDHN CN(C)C1(CNC(=O)N2CC[C@@H](O)C23CCCC3)Cc2ccccc2C1 ZINC000330353266 554110611 /nfs/dbraw/zinc/11/06/11/554110611.db2.gz OGNYFGAVOXFUSE-GOSISDBHSA-N 0 3 357.498 2.379 20 30 FEEDHN CCNC(=O)[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000330936748 554191163 /nfs/dbraw/zinc/19/11/63/554191163.db2.gz SYUYGCOUGWSTMF-KCQAQPDRSA-N 0 3 352.504 2.159 20 30 FEEDHN CNS(=O)(=O)c1cccc(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000330972747 554195665 /nfs/dbraw/zinc/19/56/65/554195665.db2.gz NHTNOGSOYLHKOG-UHFFFAOYSA-N 0 3 353.488 2.021 20 30 FEEDHN CC(C)N(C)C(=O)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000330993914 554198341 /nfs/dbraw/zinc/19/83/41/554198341.db2.gz TUGYYQGLZVEZLU-IBGZPJMESA-N 0 3 366.465 2.346 20 30 FEEDHN O=C(NCC1CCN(CCO)CC1)Nc1ncc(C(F)(F)F)s1 ZINC000331062077 554207643 /nfs/dbraw/zinc/20/76/43/554207643.db2.gz ODZMCRXSRDVONF-UHFFFAOYSA-N 0 3 352.382 2.192 20 30 FEEDHN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C)CCN1C ZINC000508577605 561766484 /nfs/dbraw/zinc/76/64/84/561766484.db2.gz PVHBZWHRNZXDMV-KRWDZBQOSA-N 0 3 354.458 2.042 20 30 FEEDHN C=CCn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000508888742 561776961 /nfs/dbraw/zinc/77/69/61/561776961.db2.gz PGVHLKJCFHXROA-QGZVFWFLSA-N 0 3 373.526 2.275 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@H]1N1CCCC1 ZINC000331611823 554294768 /nfs/dbraw/zinc/29/47/68/554294768.db2.gz WCBDACBWZRQXBZ-YXJHDRRASA-N 0 3 359.495 2.364 20 30 FEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000332029121 554366628 /nfs/dbraw/zinc/36/66/28/554366628.db2.gz HITSRBXPCUKXSN-HZPDHXFCSA-N 0 3 356.470 2.070 20 30 FEEDHN CN(C)CCOc1ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)cc1 ZINC000510961586 561852296 /nfs/dbraw/zinc/85/22/96/561852296.db2.gz ZUSAFSCQYVJPCS-UHFFFAOYSA-N 0 3 360.458 2.012 20 30 FEEDHN C=CCOC[C@@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000348573143 554688909 /nfs/dbraw/zinc/68/89/09/554688909.db2.gz NAUSSXFCJHIFRR-SWDXFRIISA-N 0 3 369.465 2.305 20 30 FEEDHN CSC1c2cc(-c3noc([C@@H](C)n4cnc(C#N)n4)n3)ccc2NC1=O ZINC000350110728 554760994 /nfs/dbraw/zinc/76/09/94/554760994.db2.gz LYPQKQSNOFUERP-OQPBUACISA-N 0 3 367.394 2.165 20 30 FEEDHN C=CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000359991562 554858160 /nfs/dbraw/zinc/85/81/60/554858160.db2.gz DWXWACRMNBWOTK-JONQDZQNSA-N 0 3 351.491 2.302 20 30 FEEDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000613161022 554894532 /nfs/dbraw/zinc/89/45/32/554894532.db2.gz OHKGDCBOESNMKM-INIZCTEOSA-N 0 3 367.457 2.443 20 30 FEEDHN O[C@H]1CCC[C@H]1N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000362154144 554952864 /nfs/dbraw/zinc/95/28/64/554952864.db2.gz ICDZCWAQCSNKPM-MSOLQXFVSA-N 0 3 368.399 2.468 20 30 FEEDHN Cc1c(C(=O)NC2(C#N)CCCC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000363006470 555008189 /nfs/dbraw/zinc/00/81/89/555008189.db2.gz KKAVPYRODCPXDU-UHFFFAOYSA-N 0 3 364.453 2.130 20 30 FEEDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1ncc(C#N)cc1Cl ZINC000363129198 555036922 /nfs/dbraw/zinc/03/69/22/555036922.db2.gz CVPJWFGESVATMH-UHFFFAOYSA-N 0 3 373.892 2.403 20 30 FEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000363149919 555040992 /nfs/dbraw/zinc/04/09/92/555040992.db2.gz IBYRLEOOTMQZAF-MOPGFXCFSA-N 0 3 356.470 2.199 20 30 FEEDHN N#CCCn1ccc(=NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)[nH]1 ZINC000363424915 555102347 /nfs/dbraw/zinc/10/23/47/555102347.db2.gz WDNDHBPXEWGPAC-GOSISDBHSA-N 0 3 366.469 2.830 20 30 FEEDHN N#Cc1ccccc1NC(=O)CCN1CCCC[C@H]1CN1CCCC1=O ZINC000363524932 555128141 /nfs/dbraw/zinc/12/81/41/555128141.db2.gz JGZKORXTNPEBRB-KRWDZBQOSA-N 0 3 354.454 2.364 20 30 FEEDHN CS[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000363689817 555164946 /nfs/dbraw/zinc/16/49/46/555164946.db2.gz OQKIQYMRYJDMEP-QZTJIDSGSA-N 0 3 355.511 2.436 20 30 FEEDHN C=CCN1CCC(NC(=O)N2CCCN(c3cncc(F)c3)CC2)CC1 ZINC000363784127 555185684 /nfs/dbraw/zinc/18/56/84/555185684.db2.gz PGKWCXWZKQGOSJ-UHFFFAOYSA-N 0 3 361.465 2.093 20 30 FEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCN([C@@H](C)CO)CC1 ZINC000364215957 555271863 /nfs/dbraw/zinc/27/18/63/555271863.db2.gz QRJZNNSVINARKM-IRXDYDNUSA-N 0 3 365.543 2.040 20 30 FEEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cnn(C)c2)c2ccccc2)CC1 ZINC000364647512 555362130 /nfs/dbraw/zinc/36/21/30/555362130.db2.gz PBEFRMBLERUCCO-LJQANCHMSA-N 0 3 353.470 2.459 20 30 FEEDHN C[C@@H]1CN(C2CCN(CCC(=O)Nc3sccc3C#N)CC2)CCO1 ZINC000364729576 555387284 /nfs/dbraw/zinc/38/72/84/555387284.db2.gz IODHJOPKCYSWAA-CQSZACIVSA-N 0 3 362.499 2.133 20 30 FEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](N)C1 ZINC000364913814 555436116 /nfs/dbraw/zinc/43/61/16/555436116.db2.gz MMPGKQBSFOTPRC-DLBZAZTESA-N 0 3 359.426 2.121 20 30 FEEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000364922865 555438790 /nfs/dbraw/zinc/43/87/90/555438790.db2.gz WOCOFWZMYZIVDB-RTBURBONSA-N 0 3 366.550 2.444 20 30 FEEDHN CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365030933 555469226 /nfs/dbraw/zinc/46/92/26/555469226.db2.gz ZNMYYWZHWDMPMS-OALUTQOASA-N 0 3 368.481 2.040 20 30 FEEDHN N#Cc1ncn(CCNCc2ccc(Br)c3cccnc23)n1 ZINC000512892994 561919057 /nfs/dbraw/zinc/91/90/57/561919057.db2.gz ZPSRLZCWIOMGMR-UHFFFAOYSA-N 0 3 357.215 2.250 20 30 FEEDHN C=CCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000365258461 555524905 /nfs/dbraw/zinc/52/49/05/555524905.db2.gz OSSHSCVPLAQSBK-UXHICEINSA-N 0 3 355.482 2.286 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)NCC1CCN(c2ccccc2C#N)CC1 ZINC000365575524 555612771 /nfs/dbraw/zinc/61/27/71/555612771.db2.gz MBQWGCZYKDAMKF-GOSISDBHSA-N 0 3 355.486 2.168 20 30 FEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000366099688 555751119 /nfs/dbraw/zinc/75/11/19/555751119.db2.gz VUEMJZASIPZWKM-QGZVFWFLSA-N 0 3 359.449 2.330 20 30 FEEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000366647176 555898770 /nfs/dbraw/zinc/89/87/70/555898770.db2.gz XTPMLLHDBUJHDT-ZDUSSCGKSA-N 0 3 353.875 2.461 20 30 FEEDHN C[C@H]1C[C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CN1C1CC1 ZINC000367154878 556002455 /nfs/dbraw/zinc/00/24/55/556002455.db2.gz YCOWDMCVPVHGJS-JKSUJKDBSA-N 0 3 353.470 2.274 20 30 FEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CCC(=O)NC23CCC3)cc1 ZINC000367251482 556004098 /nfs/dbraw/zinc/00/40/98/556004098.db2.gz GDJVAAVPDLYHTB-WMZOPIPTSA-N 0 3 368.481 2.421 20 30 FEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](c2ccccc2)[C@@H]2CCOC2)nc1 ZINC000367307793 556014473 /nfs/dbraw/zinc/01/44/73/556014473.db2.gz LHBDKYWCWDEMRW-MJGOQNOKSA-N 0 3 371.462 2.094 20 30 FEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cc(S(N)(=O)=O)ccc1C#N ZINC000367326536 556019085 /nfs/dbraw/zinc/01/90/85/556019085.db2.gz KPSBTXHNCWAILF-LIRRHRJNSA-N 0 3 370.478 2.138 20 30 FEEDHN Cn1cc(CNCC2(S(C)(=O)=O)CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000367520076 556072354 /nfs/dbraw/zinc/07/23/54/556072354.db2.gz UEWWQEQAJKJJJG-UHFFFAOYSA-N 0 3 372.494 2.406 20 30 FEEDHN Cc1cc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)ccc1C#N ZINC000367686066 556114137 /nfs/dbraw/zinc/11/41/37/556114137.db2.gz IMWNVFJPHYQQTD-ZWKOTPCHSA-N 0 3 359.426 2.121 20 30 FEEDHN CN1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000368588664 556354990 /nfs/dbraw/zinc/35/49/90/556354990.db2.gz GTYOYNBGAGDOMC-IEBWSBKVSA-N 0 3 368.481 2.266 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2)CC1 ZINC000369206743 556535825 /nfs/dbraw/zinc/53/58/25/556535825.db2.gz WKNVOQQPBREVDL-LJQANCHMSA-N 0 3 371.481 2.066 20 30 FEEDHN CN1CC[C@H](CNC(=O)N2CCO[C@H](C#N)C2)[C@H]1c1cccc(Cl)c1 ZINC000369403171 556592499 /nfs/dbraw/zinc/59/24/99/556592499.db2.gz UNMNSGRFKPLFNM-DJIMGWMZSA-N 0 3 362.861 2.267 20 30 FEEDHN C#CCCN1CCC(NC(=O)c2ccc(-c3ccncc3)[nH]c2=O)CC1 ZINC000369589869 556640540 /nfs/dbraw/zinc/64/05/40/556640540.db2.gz ARQRRPDUPMTKBP-UHFFFAOYSA-N 0 3 350.422 2.067 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)CC1 ZINC000369752258 556685321 /nfs/dbraw/zinc/68/53/21/556685321.db2.gz FFNYQGHRUSEUSM-LJQANCHMSA-N 0 3 359.514 2.162 20 30 FEEDHN Cc1cc(=NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2N(C)C)[nH]n1CCC#N ZINC000369851417 556712274 /nfs/dbraw/zinc/71/22/74/556712274.db2.gz JJNKSILXBCDSRT-PKOBYXMFSA-N 0 3 366.469 2.844 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000516563792 562048078 /nfs/dbraw/zinc/04/80/78/562048078.db2.gz UQYOTORUHWWYRE-MAODMQOUSA-N 0 3 363.461 2.413 20 30 FEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000370015852 556758186 /nfs/dbraw/zinc/75/81/86/556758186.db2.gz FZFYTVXJGGYNTI-HXUWFJFHSA-N 0 3 357.473 2.394 20 30 FEEDHN CN1CCN([C@H]2CCCCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1 ZINC000370248600 556821794 /nfs/dbraw/zinc/82/17/94/556821794.db2.gz VLKYGBXMGZSKFP-ACBHZAAOSA-N 0 3 361.534 2.128 20 30 FEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@]2(C1)CCCN(C)C2=O ZINC000370406491 556863424 /nfs/dbraw/zinc/86/34/24/556863424.db2.gz NAIMLEDDNVUBEH-UTKZUKDTSA-N 0 3 368.481 2.266 20 30 FEEDHN C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000370668171 556935500 /nfs/dbraw/zinc/93/55/00/556935500.db2.gz UAVYQKYSVKFQPV-GDBMZVCRSA-N 0 3 359.451 2.340 20 30 FEEDHN C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000370668171 556935502 /nfs/dbraw/zinc/93/55/02/556935502.db2.gz UAVYQKYSVKFQPV-GDBMZVCRSA-N 0 3 359.451 2.340 20 30 FEEDHN COCCCN1CCC(NC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000371505709 557203334 /nfs/dbraw/zinc/20/33/34/557203334.db2.gz LHGCBCPLIJCSGO-NRFANRHFSA-N 0 3 355.482 2.302 20 30 FEEDHN N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H](N4CCCC4)C3)n2)c(F)c1 ZINC000371707578 557270934 /nfs/dbraw/zinc/27/09/34/557270934.db2.gz OWQOVTPWRCNXJW-OAHLLOKOSA-N 0 3 368.416 2.585 20 30 FEEDHN C=CCN1CCC(NC(=O)CSCC(=O)N(C)C2CCCCC2)CC1 ZINC000517987588 562101961 /nfs/dbraw/zinc/10/19/61/562101961.db2.gz JRCSIEFFYISSOY-UHFFFAOYSA-N 0 3 367.559 2.277 20 30 FEEDHN C=CCN(C(=O)NCCNC(=O)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372173700 557399693 /nfs/dbraw/zinc/39/96/93/557399693.db2.gz SFDWYUXWXUDWFM-IBGZPJMESA-N 0 3 372.513 2.231 20 30 FEEDHN CN(C)C1(CN(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCC1 ZINC000372600122 557517183 /nfs/dbraw/zinc/51/71/83/557517183.db2.gz NEJVHQNSCRFUIW-UHFFFAOYSA-N 0 3 370.501 2.048 20 30 FEEDHN C=CCN(C(=O)c1ccn(CCOC)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372612543 557521123 /nfs/dbraw/zinc/52/11/23/557521123.db2.gz VJGNNNPZXAAJHF-LJQANCHMSA-N 0 3 368.481 2.432 20 30 FEEDHN C=CCc1ccccc1OC[C@@H](O)CNCc1cccc(C(=O)NC)c1 ZINC000519546526 562134293 /nfs/dbraw/zinc/13/42/93/562134293.db2.gz ZLVKCDKXXWLBEH-IBGZPJMESA-N 0 3 354.450 2.304 20 30 FEEDHN COc1cc(/C=C/C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)ccc1OCC#N ZINC000372983793 557603508 /nfs/dbraw/zinc/60/35/08/557603508.db2.gz VIIDAJNOXHERCZ-JSYWMUGDSA-N 0 3 355.438 2.163 20 30 FEEDHN Cc1c(C#N)cccc1NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000373166036 557642441 /nfs/dbraw/zinc/64/24/41/557642441.db2.gz KWWFVXWKAYFSSU-OAHLLOKOSA-N 0 3 355.486 2.499 20 30 FEEDHN COc1ccc(-c2n[nH]cc2CN2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000373483176 557702371 /nfs/dbraw/zinc/70/23/71/557702371.db2.gz IRYQHHMQMHNAHK-UHFFFAOYSA-N 0 3 363.425 2.386 20 30 FEEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000373547637 557715961 /nfs/dbraw/zinc/71/59/61/557715961.db2.gz VJXBGVSVKOXZSA-ICSRJNTNSA-N 0 3 371.529 2.366 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(Cn3cncn3)c2)CC1 ZINC000520697797 562161758 /nfs/dbraw/zinc/16/17/58/562161758.db2.gz TYKGBRRAOQXSKZ-UHFFFAOYSA-N 0 3 354.458 2.488 20 30 FEEDHN C=CCN(Cc1nnc2n1CCOC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000373897762 557782552 /nfs/dbraw/zinc/78/25/52/557782552.db2.gz CMBYEDZANZZIKA-SFHVURJKSA-N 0 3 353.470 2.071 20 30 FEEDHN CC1(C)NC(=O)N(CCCN2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000374310152 557863178 /nfs/dbraw/zinc/86/31/78/557863178.db2.gz LAWBYCMSBOJOTI-UHFFFAOYSA-N 0 3 352.438 2.368 20 30 FEEDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CCCC2(C#N)CCOCC2)O1 ZINC000374558633 557899658 /nfs/dbraw/zinc/89/96/58/557899658.db2.gz ALJCHRJERMCZSR-YVSFHVDLSA-N 0 3 350.459 2.270 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1)C(C)C ZINC000375121194 557980658 /nfs/dbraw/zinc/98/06/58/557980658.db2.gz ZNIOFVQKGCBUNX-YQVWRLOYSA-N 0 3 362.518 2.041 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)Nc2ncccc2N2CCOCC2)CC1 ZINC000375469288 558032940 /nfs/dbraw/zinc/03/29/40/558032940.db2.gz GSQGQJRWNGZSLQ-UHFFFAOYSA-N 0 3 359.474 2.080 20 30 FEEDHN C[C@H](N[C@@H]1CCCC[C@H]1N1CCOCC1)C(=O)Nc1ccccc1C#N ZINC000375474698 558034013 /nfs/dbraw/zinc/03/40/13/558034013.db2.gz RTARFHOFDDVUJA-KFKAGJAMSA-N 0 3 356.470 2.118 20 30 FEEDHN CN(C)CCN1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000375617794 558057520 /nfs/dbraw/zinc/05/75/20/558057520.db2.gz PQPCAFDLJHYJLQ-UHFFFAOYSA-N 0 3 360.477 2.071 20 30 FEEDHN CN(CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375773590 558079555 /nfs/dbraw/zinc/07/95/55/558079555.db2.gz AMSOIDNVDAXWIN-ICSRJNTNSA-N 0 3 369.513 2.349 20 30 FEEDHN Cn1cc(C[C@H]2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000375819676 558084847 /nfs/dbraw/zinc/08/48/47/558084847.db2.gz ZLKNMGDKUUKHOX-XLIONFOSSA-N 0 3 363.465 2.352 20 30 FEEDHN C=C[C@H](CC(=O)N1CCN(CCN2CCCOCC2)CC1)c1ccccc1 ZINC000376102491 558127403 /nfs/dbraw/zinc/12/74/03/558127403.db2.gz LFLSRWFEHABGTL-HXUWFJFHSA-N 0 3 371.525 2.213 20 30 FEEDHN C=CCN1CC[C@H](N(C)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1=O ZINC000376128290 558130557 /nfs/dbraw/zinc/13/05/57/558130557.db2.gz DWODPJOXUOCEDB-NEWSRXKRSA-N 0 3 370.497 2.078 20 30 FEEDHN Cc1cc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)nn1-c1cccc(C#N)c1 ZINC000377244889 558297599 /nfs/dbraw/zinc/29/75/99/558297599.db2.gz MUNHJHDIJVXFJL-HNNXBMFYSA-N 0 3 364.453 2.824 20 30 FEEDHN CSC1(CNS(=O)(=O)c2cc(C#N)ccc2Cl)CCN(C)CC1 ZINC000522037332 562189981 /nfs/dbraw/zinc/18/99/81/562189981.db2.gz GTSCBRCWUQJYQV-UHFFFAOYSA-N 0 3 373.931 2.317 20 30 FEEDHN CN1CC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000377650465 558386762 /nfs/dbraw/zinc/38/67/62/558386762.db2.gz IZAPGWKZPJDTJT-UXHICEINSA-N 0 3 369.490 2.367 20 30 FEEDHN CN1CC[C@@H](NCC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377685346 558396569 /nfs/dbraw/zinc/39/65/69/558396569.db2.gz ZXWKKPYPJCBHSH-MJGOQNOKSA-N 0 3 373.888 2.331 20 30 FEEDHN Cc1cn2c(n1)CC[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822953 558427122 /nfs/dbraw/zinc/42/71/22/558427122.db2.gz DVPVNQKWFGEJEI-DLBZAZTESA-N 0 3 351.454 2.431 20 30 FEEDHN CN(C)[C@@H]1CCN(C(=O)NCC2CCN(c3ccccc3C#N)CC2)C1 ZINC000377913344 558446956 /nfs/dbraw/zinc/44/69/56/558446956.db2.gz ZMYZFEVKALBNIX-GOSISDBHSA-N 0 3 355.486 2.120 20 30 FEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000382097137 558604423 /nfs/dbraw/zinc/60/44/23/558604423.db2.gz IKIIAXLECLQTEJ-IBGZPJMESA-N 0 3 369.490 2.196 20 30 FEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000409530430 558700545 /nfs/dbraw/zinc/70/05/45/558700545.db2.gz SNGBIVBRFDAACH-AEFFLSMTSA-N 0 3 364.515 2.139 20 30 FEEDHN C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[C@H]1N1CCN(C)CC1 ZINC000409719613 558716178 /nfs/dbraw/zinc/71/61/78/558716178.db2.gz ZCMKOFJWEWZUEM-XJKSGUPXSA-N 0 3 367.419 2.434 20 30 FEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000411229617 558856941 /nfs/dbraw/zinc/85/69/41/558856941.db2.gz QNQOVXBHBMIWMQ-UHFFFAOYSA-N 0 3 374.441 2.307 20 30 FEEDHN C=CCN(CCOC[C@H]1CCCO1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000525487018 562249405 /nfs/dbraw/zinc/24/94/05/562249405.db2.gz QZYCKIYTPUZHTQ-VQIMIIECSA-N 0 3 357.458 2.407 20 30 FEEDHN C[C@H](c1ccccc1)[C@H](NCCC(=O)Nc1cccc(C#N)c1)C(N)=O ZINC000411754627 558957071 /nfs/dbraw/zinc/95/70/71/558957071.db2.gz HNDGWBMKJRHOHR-KUHUBIRLSA-N 0 3 350.422 2.134 20 30 FEEDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)NC1(C#N)CCC1 ZINC000525893724 562258935 /nfs/dbraw/zinc/25/89/35/562258935.db2.gz IMHFYTFRFPPMRA-MRXNPFEDSA-N 0 3 350.850 2.435 20 30 FEEDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000414467742 559166295 /nfs/dbraw/zinc/16/62/95/559166295.db2.gz ZGOUGHAIPIDHAV-KBPBESRZSA-N 0 3 361.389 2.338 20 30 FEEDHN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415125958 559206683 /nfs/dbraw/zinc/20/66/83/559206683.db2.gz FTWHPHFEIXOGLG-UHFFFAOYSA-N 0 3 356.470 2.449 20 30 FEEDHN C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C)CN1 ZINC000415446729 559237903 /nfs/dbraw/zinc/23/79/03/559237903.db2.gz HKSMTNZCZSGDOX-RYUDHWBXSA-N 0 3 358.833 2.611 20 30 FEEDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000415504406 559244511 /nfs/dbraw/zinc/24/45/11/559244511.db2.gz WDYSNJNEUQTLDD-GFCCVEGCSA-N 0 3 372.347 2.029 20 30 FEEDHN CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@H](CN)C2CCCC2)s1 ZINC000415823919 559275517 /nfs/dbraw/zinc/27/55/17/559275517.db2.gz SLINCKFKJLAGEN-CYBMUJFWSA-N 0 3 362.499 2.489 20 30 FEEDHN COCCN1CCC[C@H]1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416684749 559329503 /nfs/dbraw/zinc/32/95/03/559329503.db2.gz LRNNGTVMXFFVLB-HKUYNNGSSA-N 0 3 356.470 2.346 20 30 FEEDHN N#Cc1ccc(CN2CCN(C(=O)NC[C@H](N)c3ccccc3)CC2)cc1 ZINC000418451655 559402252 /nfs/dbraw/zinc/40/22/52/559402252.db2.gz NAYDKERNTZSCCH-FQEVSTJZSA-N 0 3 363.465 2.085 20 30 FEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000419241345 559433810 /nfs/dbraw/zinc/43/38/10/559433810.db2.gz BXIOLFAAILMMFB-OCCSQVGLSA-N 0 3 360.408 2.423 20 30 FEEDHN N#CCC[C@H](NC(=O)C(=O)N(CCN)Cc1ccccc1)c1ccccc1 ZINC000419476454 559444383 /nfs/dbraw/zinc/44/43/83/559444383.db2.gz POROMOVLPGVWNJ-IBGZPJMESA-N 0 3 364.449 2.135 20 30 FEEDHN C=C(C)[C@@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)c1ccc(F)c(F)c1 ZINC000419678964 559453537 /nfs/dbraw/zinc/45/35/37/559453537.db2.gz OWIWNSNSOCSQCU-IAGOWNOFSA-N 0 3 365.424 2.332 20 30 FEEDHN C=C(C)[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)c1ccc(F)c(F)c1 ZINC000419678962 559453640 /nfs/dbraw/zinc/45/36/40/559453640.db2.gz OWIWNSNSOCSQCU-DLBZAZTESA-N 0 3 365.424 2.332 20 30 FEEDHN CCOC(=O)c1c(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c(C#N)cn1CC ZINC000421172327 559528595 /nfs/dbraw/zinc/52/85/95/559528595.db2.gz JLXUSLXHMJUASV-UKRRQHHQSA-N 0 3 373.457 2.114 20 30 FEEDHN Cc1c(Cl)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1C ZINC000421461850 559542892 /nfs/dbraw/zinc/54/28/92/559542892.db2.gz BTGUWZBJTPWPKG-UHFFFAOYSA-N 0 3 359.861 2.458 20 30 FEEDHN CN(C[C@@H]1CCCN1C)C(=O)COc1cccc(Br)c1C#N ZINC000421711000 559550418 /nfs/dbraw/zinc/55/04/18/559550418.db2.gz NLXWYIWBXWKRFB-LBPRGKRZSA-N 0 3 366.259 2.252 20 30 FEEDHN N#Cc1ccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)s1 ZINC000421923098 559556728 /nfs/dbraw/zinc/55/67/28/559556728.db2.gz SJZVOWBLDPTBHS-UHFFFAOYSA-N 0 3 354.479 2.448 20 30 FEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000422290660 559576086 /nfs/dbraw/zinc/57/60/86/559576086.db2.gz BJZVFTSRJLOHPS-HXUWFJFHSA-N 0 3 369.509 2.447 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000424127415 559655677 /nfs/dbraw/zinc/65/56/77/559655677.db2.gz CZRKGVWOQVADBL-QGZVFWFLSA-N 0 3 350.413 2.067 20 30 FEEDHN CCOC(=O)c1ccn(-c2ccccc2NC(=O)[C@H](N)CCCC#N)n1 ZINC000424143342 559656137 /nfs/dbraw/zinc/65/61/37/559656137.db2.gz QVRRIWPNGVWFQT-CYBMUJFWSA-N 0 3 355.398 2.009 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000424500594 559667642 /nfs/dbraw/zinc/66/76/42/559667642.db2.gz JTKXZZMARBEFDB-DKKFBQAASA-N 0 3 350.503 2.315 20 30 FEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000425384964 559699157 /nfs/dbraw/zinc/69/91/57/559699157.db2.gz MUOMLUOVUVAHQH-OAHLLOKOSA-N 0 3 356.470 2.020 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000425389020 559699676 /nfs/dbraw/zinc/69/96/76/559699676.db2.gz TUJVVXUJLVGEBF-HRAATJIYSA-N 0 3 368.481 2.022 20 30 FEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425503220 559706324 /nfs/dbraw/zinc/70/63/24/559706324.db2.gz RPAYQMDEQDPNLC-IAGOWNOFSA-N 0 3 357.502 2.287 20 30 FEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000425886985 559724087 /nfs/dbraw/zinc/72/40/87/559724087.db2.gz QXKKRNVASYVPGB-YJBOKZPZSA-N 0 3 368.481 2.211 20 30 FEEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425889707 559724127 /nfs/dbraw/zinc/72/41/27/559724127.db2.gz VHYYWUAXRSXDKM-CRAIPNDOSA-N 0 3 356.470 2.068 20 30 FEEDHN N#Cc1cccc(NCC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC000428542766 559777623 /nfs/dbraw/zinc/77/76/23/559777623.db2.gz VGUSHDXPYUFFRH-IBGZPJMESA-N 0 3 350.422 2.175 20 30 FEEDHN C=CCOc1cccnc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428828823 559784352 /nfs/dbraw/zinc/78/43/52/559784352.db2.gz XVMYEGIIUJWAIG-KRWDZBQOSA-N 0 3 353.422 2.465 20 30 FEEDHN C=C(C)[C@H](CC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)OCC ZINC000428974348 559787121 /nfs/dbraw/zinc/78/71/21/559787121.db2.gz FGAAKKFVOVWHTM-FPOVZHCZSA-N 0 3 360.498 2.453 20 30 FEEDHN CC(=O)N[C@H]1CCCN(C(=O)CN[C@@H](CCCC#N)c2ccccc2)C1 ZINC000433014515 559869909 /nfs/dbraw/zinc/86/99/09/559869909.db2.gz SJBAIEDEPAWYRY-OALUTQOASA-N 0 3 356.470 2.138 20 30 FEEDHN C=C(C)CS(=O)(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000435420763 559922338 /nfs/dbraw/zinc/92/23/38/559922338.db2.gz DOGDFUBVWFOWMH-INIZCTEOSA-N 0 3 352.500 2.382 20 30 FEEDHN N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCC[NH2+]Cc1cccnc1 ZINC000440337963 560008996 /nfs/dbraw/zinc/00/89/96/560008996.db2.gz FWNZUTHTZCLMRF-UHFFFAOYSA-N 0 3 364.858 2.065 20 30 FEEDHN Cc1ccc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)c(OCCN(C)C)c1 ZINC000441903718 560040636 /nfs/dbraw/zinc/04/06/36/560040636.db2.gz DLSXQWFVRCCDDO-HNNXBMFYSA-N 0 3 372.469 2.025 20 30 FEEDHN CN(Cc1nnc2n1CCCCC2)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527457009 562288551 /nfs/dbraw/zinc/28/85/51/562288551.db2.gz JODJNHCWZKYZHV-KRWDZBQOSA-N 0 3 362.437 2.217 20 30 FEEDHN CCOC(=O)C1CCN(C(=O)CN(C)CCCCC(C)(C)C#N)CC1 ZINC000444622354 560116861 /nfs/dbraw/zinc/11/68/61/560116861.db2.gz GEXIMVGLSFWPOQ-UHFFFAOYSA-N 0 3 351.491 2.440 20 30 FEEDHN Cc1nc2ccnn2cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000448816976 560200875 /nfs/dbraw/zinc/20/08/75/560200875.db2.gz UOPUSVHHLGOJHN-UHFFFAOYSA-N 0 3 362.437 2.113 20 30 FEEDHN CCN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448939224 560207996 /nfs/dbraw/zinc/20/79/96/560207996.db2.gz BHJMCLMUIFQTLW-HNNXBMFYSA-N 0 3 374.872 2.119 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(-c2cccnc2)nn1)C(C)C ZINC000449800416 560240400 /nfs/dbraw/zinc/24/04/00/560240400.db2.gz CUMWXQIPZKRRKS-GOSISDBHSA-N 0 3 354.458 2.091 20 30 FEEDHN CCCN(CCN(C)C)C(=O)COc1cccc(Br)c1C#N ZINC000449846052 560242316 /nfs/dbraw/zinc/24/23/16/560242316.db2.gz VFDCXDXLDVFJET-UHFFFAOYSA-N 0 3 368.275 2.500 20 30 FEEDHN CN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCCN(C)C1 ZINC000449944814 560246161 /nfs/dbraw/zinc/24/61/61/560246161.db2.gz KVUVZEFDGDFKGR-GFCCVEGCSA-N 0 3 366.259 2.252 20 30 FEEDHN C[C@@H]1CN(CCCNc2ncc(Br)cc2C#N)CCCO1 ZINC000450488030 560263887 /nfs/dbraw/zinc/26/38/87/560263887.db2.gz ODLIORHXDDUWMJ-GFCCVEGCSA-N 0 3 353.264 2.629 20 30 FEEDHN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000451651327 560319520 /nfs/dbraw/zinc/31/95/20/560319520.db2.gz MHNAIPNDLNKNQK-INIZCTEOSA-N 0 3 365.499 2.356 20 30 FEEDHN C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000451798901 560329192 /nfs/dbraw/zinc/32/91/92/560329192.db2.gz VGQUHMDAZOGWAM-INIZCTEOSA-N 0 3 364.515 2.109 20 30 FEEDHN C=CCN1CC[C@H](N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1=O ZINC000452026690 560346334 /nfs/dbraw/zinc/34/63/34/560346334.db2.gz VEOGUBDFACAVTL-YESZJQIVSA-N 0 3 367.415 2.393 20 30 FEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000452951215 560378962 /nfs/dbraw/zinc/37/89/62/560378962.db2.gz LTERLHYBNQZFAO-MSOLQXFVSA-N 0 3 354.454 2.185 20 30 FEEDHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453755971 560401914 /nfs/dbraw/zinc/40/19/14/560401914.db2.gz GIDPITCCXQDQGZ-GFCCVEGCSA-N 0 3 350.850 2.189 20 30 FEEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453923796 560413504 /nfs/dbraw/zinc/41/35/04/560413504.db2.gz XFLCHTAEXCFYHN-IJEWVQPXSA-N 0 3 372.494 2.039 20 30 FEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCN1CCCO ZINC000454572689 560449989 /nfs/dbraw/zinc/44/99/89/560449989.db2.gz GIQNXHDCDMCHEQ-MRXNPFEDSA-N 0 3 360.458 2.314 20 30 FEEDHN CN1CC[C@@H]2CN(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000454590302 560450582 /nfs/dbraw/zinc/45/05/82/560450582.db2.gz MANYAJGDCWKLBT-ZBFHGGJFSA-N 0 3 351.372 2.402 20 30 FEEDHN C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)CN1CCN(C)CC1 ZINC000455698230 560492295 /nfs/dbraw/zinc/49/22/95/560492295.db2.gz FSMBBUNRHHHCDS-AWEZNQCLSA-N 0 3 363.893 2.411 20 30 FEEDHN CN1CCN(CCC(C)(C)NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455766077 560494300 /nfs/dbraw/zinc/49/43/00/560494300.db2.gz SJATXBAULFNSER-UHFFFAOYSA-N 0 3 364.881 2.144 20 30 FEEDHN C=CCC[C@@H](NC(=O)c1ccc(N2CCN(CC)CC2)cc1)C(=O)OCC ZINC000456620117 560526043 /nfs/dbraw/zinc/52/60/43/560526043.db2.gz CIQVYPGLXPBXHQ-LJQANCHMSA-N 0 3 373.497 2.456 20 30 FEEDHN C[C@@H](Cc1cnn(C)c1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000457493139 560570346 /nfs/dbraw/zinc/57/03/46/560570346.db2.gz DXODCNKCGSAQEZ-INIZCTEOSA-N 0 3 353.470 2.061 20 30 FEEDHN Cc1cc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)ncc1C#N ZINC000457692676 560582247 /nfs/dbraw/zinc/58/22/47/560582247.db2.gz GWTBBJYZVODOFQ-LJQANCHMSA-N 0 3 364.449 2.148 20 30 FEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C1CCN(OC)CC1)C(C)C ZINC000457750966 560585886 /nfs/dbraw/zinc/58/58/86/560585886.db2.gz OOCRVSIJPSFTMC-GOSISDBHSA-N 0 3 352.523 2.352 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000458660340 560639008 /nfs/dbraw/zinc/63/90/08/560639008.db2.gz SPSUXBCATSFRAP-ZCNNSNEGSA-N 0 3 373.497 2.176 20 30 FEEDHN CC(C)[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCCC1 ZINC000459528836 560692309 /nfs/dbraw/zinc/69/23/09/560692309.db2.gz KBFZDDDWTKCJKI-SFHVURJKSA-N 0 3 364.511 2.499 20 30 FEEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@](O)(CO)C2)c1 ZINC000459744614 560705624 /nfs/dbraw/zinc/70/56/24/560705624.db2.gz ZTAYXGUJWCUZOD-OAQYLSRUSA-N 0 3 352.434 2.456 20 30 FEEDHN CC1=CCN(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000460222110 560738291 /nfs/dbraw/zinc/73/82/91/560738291.db2.gz RBIYFHZXHYJHPF-UHFFFAOYSA-N 0 3 369.513 2.283 20 30 FEEDHN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(CC)CC1 ZINC000460553992 560746212 /nfs/dbraw/zinc/74/62/12/560746212.db2.gz ILXYNPRHBRVNGM-MRXNPFEDSA-N 0 3 351.495 2.110 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460563386 560746323 /nfs/dbraw/zinc/74/63/23/560746323.db2.gz VHAGOEHYQDQKCW-BBWFWOEESA-N 0 3 365.522 2.497 20 30 FEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000460754697 560751043 /nfs/dbraw/zinc/75/10/43/560751043.db2.gz CIEXYVCKYLMADK-MOPGFXCFSA-N 0 3 366.550 2.027 20 30 FEEDHN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460768342 560751306 /nfs/dbraw/zinc/75/13/06/560751306.db2.gz KYNSOEZIIMOWRQ-RDJZCZTQSA-N 0 3 363.506 2.251 20 30 FEEDHN C=C(C)Cn1c(CCCC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000460800318 560752177 /nfs/dbraw/zinc/75/21/77/560752177.db2.gz RTCMHKQAUYLYAD-GOSISDBHSA-N 0 3 360.550 2.413 20 30 FEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000468459037 560930458 /nfs/dbraw/zinc/93/04/58/560930458.db2.gz NIOKRZNCWRFYJF-HNNXBMFYSA-N 0 3 362.861 2.387 20 30 FEEDHN CCOC(=O)[C@@](C)(CN[C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000469276865 560951536 /nfs/dbraw/zinc/95/15/36/560951536.db2.gz WOGICVRWUGSGCW-BEFAXECRSA-N 0 3 357.454 2.048 20 30 FEEDHN CCNC(=O)c1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000470838715 560991224 /nfs/dbraw/zinc/99/12/24/560991224.db2.gz BIPDTDWERQGKOV-LJQANCHMSA-N 0 3 360.417 2.307 20 30 FEEDHN C=CC[C@@H](CO)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472461526 561027029 /nfs/dbraw/zinc/02/70/29/561027029.db2.gz IFUARXUEMMUTSJ-LRVUVFPRSA-N 0 3 363.424 2.276 20 30 FEEDHN Cn1ncc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1C#N ZINC000475523628 561099365 /nfs/dbraw/zinc/09/93/65/561099365.db2.gz RTQXWSSUGYREEK-UHFFFAOYSA-N 0 3 351.454 2.072 20 30 FEEDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000475530827 561099436 /nfs/dbraw/zinc/09/94/36/561099436.db2.gz OTSRPZPVPVBNHD-RBUKOAKNSA-N 0 3 370.497 2.133 20 30 FEEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cnn(C)c1C#N ZINC000476559146 561122549 /nfs/dbraw/zinc/12/25/49/561122549.db2.gz DFVJAIHAARYIHT-UHFFFAOYSA-N 0 3 352.442 2.065 20 30 FEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)CN(CC)CC ZINC000477099236 561136645 /nfs/dbraw/zinc/13/66/45/561136645.db2.gz KXWOILNWPFRATE-INIZCTEOSA-N 0 3 358.486 2.143 20 30 FEEDHN CN1CCN(C[C@@H](O)COc2ccccc2C#N)C[C@H]1Cc1ccccc1 ZINC000528495051 562332317 /nfs/dbraw/zinc/33/23/17/562332317.db2.gz CGDBNWSTSCDEHQ-NHCUHLMSSA-N 0 3 365.477 2.157 20 30 FEEDHN C[C@H]1CN(CCC2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000528799744 562348522 /nfs/dbraw/zinc/34/85/22/562348522.db2.gz QJLVROWJOINECZ-IRXDYDNUSA-N 0 3 370.497 2.234 20 30 FEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@]23C[C@H]2COC3(C)C)cc1 ZINC000529084297 562359340 /nfs/dbraw/zinc/35/93/40/562359340.db2.gz ZDYDFMRWEGJWDX-BWACUDIHSA-N 0 3 363.439 2.061 20 30 FEEDHN CS[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1N(C)C ZINC000534951998 562546030 /nfs/dbraw/zinc/54/60/30/562546030.db2.gz QTVDMQLQPDPMQK-CGTJXYLNSA-N 0 3 360.527 2.299 20 30 FEEDHN CN(CCC#N)C(=O)CCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000535665171 562563703 /nfs/dbraw/zinc/56/37/03/562563703.db2.gz HQBHAMDEWRVREN-UHFFFAOYSA-N 0 3 368.481 2.305 20 30 FEEDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000568122111 567888727 /nfs/dbraw/zinc/88/87/27/567888727.db2.gz VQRHPQPHTLQHCY-LLVKDONJSA-N 0 3 374.304 2.329 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000602513129 567989384 /nfs/dbraw/zinc/98/93/84/567989384.db2.gz CUYGQDFSKIRBRG-KRWDZBQOSA-N 0 3 357.502 2.022 20 30 FEEDHN C[C@@H](CC1(C#N)CCOCC1)NCCNC(=O)c1c(F)cccc1F ZINC000602544983 567990075 /nfs/dbraw/zinc/99/00/75/567990075.db2.gz GHKFCUGKXPIPFI-ZDUSSCGKSA-N 0 3 351.397 2.383 20 30 FEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(c2ccncc2)CC1 ZINC000602845391 568000068 /nfs/dbraw/zinc/00/00/68/568000068.db2.gz JIXQUEFXCBDRRZ-KRWDZBQOSA-N 0 3 355.486 2.325 20 30 FEEDHN C[C@H]1CN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C[C@H](C)N1CC#N ZINC000602848994 568000873 /nfs/dbraw/zinc/00/08/73/568000873.db2.gz JBIRZBFGOTWYBE-ZRDSACAASA-N 0 3 365.518 2.168 20 30 FEEDHN COc1ccccc1CCNC(=O)CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602645479 568003820 /nfs/dbraw/zinc/00/38/20/568003820.db2.gz JCKRITZUADIHMS-INIZCTEOSA-N 0 3 359.470 2.042 20 30 FEEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccnc(N3CCCC3)c2)cc1 ZINC000568976445 568259956 /nfs/dbraw/zinc/25/99/56/568259956.db2.gz WCKUDAJIELXFGV-GOSISDBHSA-N 0 3 352.438 2.083 20 30 FEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000604391256 568282255 /nfs/dbraw/zinc/28/22/55/568282255.db2.gz HNKRUIBIMOHTFY-KRWDZBQOSA-N 0 3 357.498 2.319 20 30 FEEDHN CCCN1CCC[C@H]1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000604541748 568309715 /nfs/dbraw/zinc/30/97/15/568309715.db2.gz IQEARUQTZRPWLH-RBUKOAKNSA-N 0 3 358.461 2.409 20 30 FEEDHN COc1cnccc1N1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000569758985 568421405 /nfs/dbraw/zinc/42/14/05/568421405.db2.gz GVSCDJFHNLOUGI-UHFFFAOYSA-N 0 3 371.466 2.174 20 30 FEEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)C(C)C ZINC000819740259 606533089 /nfs/dbraw/zinc/53/30/89/606533089.db2.gz WOBQIPZKQLXAJA-CQSZACIVSA-N 0 3 360.487 2.357 20 30 FEEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)cs1)C(C)C ZINC000819740259 606533091 /nfs/dbraw/zinc/53/30/91/606533091.db2.gz WOBQIPZKQLXAJA-CQSZACIVSA-N 0 3 360.487 2.357 20 30 FEEDHN COCC[C@@H]1COCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000812889535 674704639 /nfs/dbraw/zinc/70/46/39/674704639.db2.gz TYJCEISDNWXPOA-KGLIPLIRSA-N 0 3 359.451 2.210 20 30 FEEDHN CN1CCC2(CCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)C2)CC1 ZINC000813701130 674771627 /nfs/dbraw/zinc/77/16/27/674771627.db2.gz IYBQQAFRFAGIDQ-UHFFFAOYSA-N 0 3 351.447 2.194 20 30 FEEDHN C=CCNC(=O)CN1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203973 674930106 /nfs/dbraw/zinc/93/01/06/674930106.db2.gz PCLXSNXLIIKMNM-JKSUJKDBSA-N 0 3 351.491 2.400 20 30 FEEDHN C=CCC(F)(F)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000815420018 674947229 /nfs/dbraw/zinc/94/72/29/674947229.db2.gz ISMDBFGKZXGLRI-UHFFFAOYSA-N 0 3 351.441 2.474 20 30 FEEDHN C#CCN1CCC(C(=O)N[C@H](C(=O)OC)c2ccc(Cl)c(F)c2)CC1 ZINC000089373080 670700035 /nfs/dbraw/zinc/70/00/35/670700035.db2.gz PZTQKRHTZRTQOT-INIZCTEOSA-N 0 3 366.820 2.155 20 30 FEEDHN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000575774367 671319790 /nfs/dbraw/zinc/31/97/90/671319790.db2.gz BGTQSSZQXUSWAK-NSHDSACASA-N 0 3 361.389 2.197 20 30 FEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000119918765 671912689 /nfs/dbraw/zinc/91/26/89/671912689.db2.gz IYIOQSYWGZNHGE-SWLSCSKDSA-N 0 3 352.431 2.415 20 30 FEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)cc1C ZINC000124190030 671992360 /nfs/dbraw/zinc/99/23/60/671992360.db2.gz XVQNDJLHKYSNDN-CQSZACIVSA-N 0 3 352.818 2.279 20 30 FEEDHN N#CC(C(=O)COc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000124445363 671997685 /nfs/dbraw/zinc/99/76/85/671997685.db2.gz JYSFSPCATUQPBQ-CYBMUJFWSA-N 0 3 351.200 2.159 20 30 FEEDHN CNC(=O)C(C#N)C(=O)CSCc1ccc(Br)cc1F ZINC000127674354 672040216 /nfs/dbraw/zinc/04/02/16/672040216.db2.gz ODZOYUZLLPVTQO-JTQLQIEISA-N 0 3 359.220 2.276 20 30 FEEDHN COCC(=O)N(C)CC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000136904011 672140155 /nfs/dbraw/zinc/14/01/55/672140155.db2.gz ZGPHQKCAHIOORB-JTQLQIEISA-N 0 3 351.815 2.231 20 30 FEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000171723040 672335003 /nfs/dbraw/zinc/33/50/03/672335003.db2.gz IFMFTUAGESRFGR-OAHLLOKOSA-N 0 3 351.491 2.400 20 30 FEEDHN CS[C@@H]1CN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000611217543 676026170 /nfs/dbraw/zinc/02/61/70/676026170.db2.gz KWOSBLDVNCKCPC-FGTMMUONSA-N 0 3 358.511 2.031 20 30 FEEDHN CN(C)C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)c2ccccc2O1 ZINC000590749694 672609790 /nfs/dbraw/zinc/60/97/90/672609790.db2.gz HRGBZSACXRXTGB-CQSZACIVSA-N 0 3 351.472 2.085 20 30 FEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000592145166 672763780 /nfs/dbraw/zinc/76/37/80/672763780.db2.gz PSCGYAROWDPKMH-UKRRQHHQSA-N 0 3 354.376 2.421 20 30 FEEDHN N#CC[C@]1(O)CCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000592151865 672764857 /nfs/dbraw/zinc/76/48/57/672764857.db2.gz RHVNZNRRUTYUIW-HNNXBMFYSA-N 0 3 352.232 2.128 20 30 FEEDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000592870479 672849338 /nfs/dbraw/zinc/84/93/38/672849338.db2.gz FQEHFNHXNSRYBP-JTQLQIEISA-N 0 3 369.252 2.057 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000255423569 672890421 /nfs/dbraw/zinc/89/04/21/672890421.db2.gz UQGBGYGRYXVABJ-MIGVZTTLSA-N 0 3 367.515 2.375 20 30 FEEDHN CN(C)Cc1ccc(S(=O)(=O)N2CCCc3nc(C#N)ccc32)cc1 ZINC000593289722 672904510 /nfs/dbraw/zinc/90/45/10/672904510.db2.gz QHCIWTTZKKAKLY-UHFFFAOYSA-N 0 3 356.451 2.156 20 30 FEEDHN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594430330 673071024 /nfs/dbraw/zinc/07/10/24/673071024.db2.gz ZOFWARFODLAOPU-CJNGLKHVSA-N 0 3 351.472 2.021 20 30 FEEDHN O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000330155799 673086331 /nfs/dbraw/zinc/08/63/31/673086331.db2.gz OFSHAGSTFPGFSU-NSHDSACASA-N 0 3 360.384 2.188 20 30 FEEDHN CCS(=O)(=O)N1CCC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000729068770 673220939 /nfs/dbraw/zinc/22/09/39/673220939.db2.gz FLEXLOQZIWNXCA-CHWSQXEVSA-N 0 3 361.423 2.066 20 30 FEEDHN CCS(=O)(=O)N1CCC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000729068773 673221112 /nfs/dbraw/zinc/22/11/12/673221112.db2.gz FLEXLOQZIWNXCA-QWHCGFSZSA-N 0 3 361.423 2.066 20 30 FEEDHN N#Cc1sccc1N1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000595937180 673342111 /nfs/dbraw/zinc/34/21/11/673342111.db2.gz FBGWWOKYRSEKKB-INIZCTEOSA-N 0 3 352.463 2.155 20 30 FEEDHN C[C@H](c1ccccc1)[C@@H](O)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000596067777 673355566 /nfs/dbraw/zinc/35/55/66/673355566.db2.gz AMINNPKVGYPXSM-BEFAXECRSA-N 0 3 358.463 2.086 20 30 FEEDHN CCN(CC)CC(=O)N1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601114281 673826674 /nfs/dbraw/zinc/82/66/74/673826674.db2.gz OXJLZBIIRIMLEA-UHFFFAOYSA-N 0 3 357.483 2.158 20 30 FEEDHN C#CCN(C)CCCNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000818599184 675227479 /nfs/dbraw/zinc/22/74/79/675227479.db2.gz CZMDNPAAQVYSKJ-UHFFFAOYSA-N 0 3 361.339 2.046 20 30 FEEDHN C#CCN(C)CCCNC(=O)Cc1noc2ccc(Br)cc12 ZINC000819544610 675297622 /nfs/dbraw/zinc/29/76/22/675297622.db2.gz PKQACJDCGDIANP-UHFFFAOYSA-N 0 3 364.243 2.204 20 30 FEEDHN C=CCC1(C(=O)N2CCC(CC)(N3CCOCC3)CC2)CCOCC1 ZINC000629413721 676853962 /nfs/dbraw/zinc/85/39/62/676853962.db2.gz BJAVOJSUJNPAQO-UHFFFAOYSA-N 0 3 350.503 2.463 20 30 FEEDHN C#CCN(C)CCCNC(=O)N1CCc2ccc(Br)cc21 ZINC000838622463 680706538 /nfs/dbraw/zinc/70/65/38/680706538.db2.gz HAXZYKSRAIXRPW-UHFFFAOYSA-N 0 3 350.260 2.476 20 30 FEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc2n(n1)CCCO2 ZINC000763929638 680795861 /nfs/dbraw/zinc/79/58/61/680795861.db2.gz JGRUMXDRPYKYJB-JTQLQIEISA-N 0 3 362.748 2.419 20 30 FEEDHN CCCCCCNC(=O)[C@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000748318225 679951951 /nfs/dbraw/zinc/95/19/51/679951951.db2.gz NYYJISWWJJAECW-IRXDYDNUSA-N 0 3 350.507 2.155 20 30 FEEDHN CCN(CC)c1ccc(/C=[NH+]\CC2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000748584883 679977523 /nfs/dbraw/zinc/97/75/23/679977523.db2.gz VQDPAGSTJYCKAQ-RGEXLXHISA-N 0 3 367.515 2.329 20 30 FEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000749839883 680079590 /nfs/dbraw/zinc/07/95/90/680079590.db2.gz FZBGGPGLUFRADU-CQSZACIVSA-N 0 3 354.495 2.097 20 30 FEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C[C@H]2CC(C)(C)CO2)CC1 ZINC000981190080 680219796 /nfs/dbraw/zinc/21/97/96/680219796.db2.gz ORLDBCMWRJYNPG-KURKYZTESA-N 0 3 350.503 2.317 20 30 FEEDHN C#CC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000754041151 680332979 /nfs/dbraw/zinc/33/29/79/680332979.db2.gz NWXRZTYQDUZVOT-UHFFFAOYSA-N 0 3 351.244 2.042 20 30 FEEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001039159039 680462230 /nfs/dbraw/zinc/46/22/30/680462230.db2.gz BHYYMKQBGFNHOI-IXDOHACOSA-N 0 3 367.921 2.201 20 30 FEEDHN CN(Cc1cc(Cl)ccc1OCC#N)C1CCN(S(C)(=O)=O)CC1 ZINC000759429515 680648751 /nfs/dbraw/zinc/64/87/51/680648751.db2.gz FSRSOGKAWMQMCC-UHFFFAOYSA-N 0 3 371.890 2.098 20 30 FEEDHN COC(=O)c1cncc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000760181906 680678984 /nfs/dbraw/zinc/67/89/84/680678984.db2.gz CWNPUMZCOMTHBX-GFCCVEGCSA-N 0 3 357.753 2.483 20 30 FEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841525644 680891842 /nfs/dbraw/zinc/89/18/42/680891842.db2.gz OEJSHEHBTANBMW-UHFFFAOYSA-N 0 3 357.888 2.183 20 30 FEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000842683939 680959473 /nfs/dbraw/zinc/95/94/73/680959473.db2.gz UECCJFXZLIEAPV-HZSPNIEDSA-N 0 3 351.447 2.305 20 30 FEEDHN C[C@@H](C[C@H](O)c1cccs1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000843103447 680987934 /nfs/dbraw/zinc/98/79/34/680987934.db2.gz BGXAZRACMRXAMD-BBRMVZONSA-N 0 3 364.492 2.495 20 30 FEEDHN Cc1nsc(NC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1C#N ZINC001054673758 681114506 /nfs/dbraw/zinc/11/45/06/681114506.db2.gz AEMNERBPBMLLLV-TZMCWYRMSA-N 0 3 361.515 2.314 20 30 FEEDHN CN(C)CCN(C)C(=O)Nc1ccc(C#N)cc1I ZINC000932555165 681265131 /nfs/dbraw/zinc/26/51/31/681265131.db2.gz YNEZHVNSUMAPEY-UHFFFAOYSA-N 0 3 372.210 2.188 20 30 FEEDHN C#C[C@@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCCO1 ZINC000775795955 681335573 /nfs/dbraw/zinc/33/55/73/681335573.db2.gz QMDLIZWEPYKPFU-ZIAGYGMSSA-N 0 3 356.495 2.465 20 30 FEEDHN CN1CCC[C@@H]1CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC000847491023 681385810 /nfs/dbraw/zinc/38/58/10/681385810.db2.gz FXNJKEWZELIUOP-HUUCEWRRSA-N 0 3 352.479 2.174 20 30 FEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000848397911 681535240 /nfs/dbraw/zinc/53/52/40/681535240.db2.gz OTEZQUBWKUXCFD-CQSZACIVSA-N 0 3 360.439 2.232 20 30 FEEDHN COC(=O)CCCN1CCC(N=Nc2ncc(Br)cn2)CC1 ZINC000848420883 681537229 /nfs/dbraw/zinc/53/72/29/681537229.db2.gz MLPNHROZOMWKTR-UHFFFAOYSA-N 0 3 370.251 2.056 20 30 FEEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H](C(N)=O)C1 ZINC000778291787 681593493 /nfs/dbraw/zinc/59/34/93/681593493.db2.gz YJUNMADPYJZUGG-MBNYWOFBSA-N 0 3 356.451 2.058 20 30 FEEDHN CO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCOC1 ZINC000850761523 681957475 /nfs/dbraw/zinc/95/74/75/681957475.db2.gz NTXKPRDABUCREJ-OSQNNJELSA-N 0 3 354.765 2.178 20 30 FEEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CCN(C(=O)OCC)CC1 ZINC000916875558 685528439 /nfs/dbraw/zinc/52/84/39/685528439.db2.gz CYDLFPUMWUYSEL-OAHLLOKOSA-N 0 3 351.447 2.260 20 30 FEEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(C)n2)cc1OC ZINC000916934091 685528688 /nfs/dbraw/zinc/52/86/88/685528688.db2.gz DJYVPZJJOALTQX-ZDUSSCGKSA-N 0 3 359.407 2.359 20 30 FEEDHN C#CCN(C(=O)NCCOc1ccc(F)cc1F)C1CCN(C)CC1 ZINC000917150339 685530055 /nfs/dbraw/zinc/53/00/55/685530055.db2.gz VSMHRXNBTBBAON-UHFFFAOYSA-N 0 3 351.397 2.083 20 30 FEEDHN CN1C[C@]2(C)CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C[C@@]2(C)C1 ZINC000918352833 685538623 /nfs/dbraw/zinc/53/86/23/685538623.db2.gz WRKLGJWXVSPKEI-HZPDHXFCSA-N 0 3 353.875 2.174 20 30 FEEDHN C=CCN1CCC(NC(=O)c2cnc(Br)c(OC)c2)CC1 ZINC000788204228 682510780 /nfs/dbraw/zinc/51/07/80/682510780.db2.gz AZKKKPRKHFPABY-UHFFFAOYSA-N 0 3 354.248 2.233 20 30 FEEDHN CC(C)N1CCN(CCCOC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000792010713 682780912 /nfs/dbraw/zinc/78/09/12/682780912.db2.gz JAXSIRKEMITJGW-UHFFFAOYSA-N 0 3 351.397 2.409 20 30 FEEDHN CC(C)[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1 ZINC000856490877 682789182 /nfs/dbraw/zinc/78/91/82/682789182.db2.gz TYVZSYTZVQBYBZ-GJZGRUSLSA-N 0 3 352.479 2.030 20 30 FEEDHN C#CCC[NH+]1CCC(NC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000859524584 683123033 /nfs/dbraw/zinc/12/30/33/683123033.db2.gz BOAJGSVKINPHTO-UHFFFAOYSA-N 0 3 351.244 2.372 20 30 FEEDHN CN1CCC(NC(=S)NNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000799509481 683462663 /nfs/dbraw/zinc/46/26/63/683462663.db2.gz QLNVVTCWYUNGAX-UHFFFAOYSA-N 0 3 357.405 2.462 20 30 FEEDHN C#CCN(C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1)C1CCN(C)CC1 ZINC000921648728 683531500 /nfs/dbraw/zinc/53/15/00/683531500.db2.gz RHTAXKUIHHQVFT-SGANQWHYSA-N 0 3 361.511 2.224 20 30 FEEDHN C#CC[C@H](COC)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000863804862 683775040 /nfs/dbraw/zinc/77/50/40/683775040.db2.gz KJJVTIMSIXJXBU-SJORKVTESA-N 0 3 350.409 2.298 20 30 FEEDHN C=C(Cl)C[C@@H]1NC(=O)N(c2cccc(N3CCN(CC)CC3)c2)C1=O ZINC000864556698 683867705 /nfs/dbraw/zinc/86/77/05/683867705.db2.gz CXALLZVTUDDMKO-INIZCTEOSA-N 0 3 362.861 2.396 20 30 FEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)[C@@H]1CCOC1 ZINC000870138046 684687161 /nfs/dbraw/zinc/68/71/61/684687161.db2.gz ATWXCYZDIUKUFB-WQGACYEGSA-N 0 3 350.802 2.429 20 30 FEEDHN N#Cc1c(F)cccc1CNCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000873051937 685059236 /nfs/dbraw/zinc/05/92/36/685059236.db2.gz QIWSBTCJPOWHJL-UHFFFAOYSA-N 0 3 361.389 2.051 20 30 FEEDHN N#Cc1c(F)cccc1CNC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000873074555 685065633 /nfs/dbraw/zinc/06/56/33/685065633.db2.gz FQMXWTNDXCNASX-UHFFFAOYSA-N 0 3 365.352 2.101 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000876574321 686222390 /nfs/dbraw/zinc/22/23/90/686222390.db2.gz BVXZOXOBZPGELQ-AWEZNQCLSA-N 0 3 356.253 2.094 20 30 FEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000876621102 686229663 /nfs/dbraw/zinc/22/96/63/686229663.db2.gz VLVGFSBWDZMJMN-MWLCHTKSSA-N 0 3 367.660 2.319 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCCOc1cc(OC)cc(OC)c1 ZINC000876705150 686248072 /nfs/dbraw/zinc/24/80/72/686248072.db2.gz WVWRWMBKRVCCNF-INIZCTEOSA-N 0 3 356.850 2.401 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000876728068 686254424 /nfs/dbraw/zinc/25/44/24/686254424.db2.gz XIZBQSGFOXICQL-KBPBESRZSA-N 0 3 350.850 2.037 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000876749342 686260139 /nfs/dbraw/zinc/26/01/39/686260139.db2.gz JJCDUWUHVYLKHE-CJNGLKHVSA-N 0 3 364.877 2.200 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(Nc2cccc(C(=O)OC)c2)CC1 ZINC000876900904 686291111 /nfs/dbraw/zinc/29/11/11/686291111.db2.gz UDPXAKQIKWBCGX-INIZCTEOSA-N 0 3 365.861 2.346 20 30 FEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000876909864 686293836 /nfs/dbraw/zinc/29/38/36/686293836.db2.gz KYIMYWJAALJWNN-CMPLNLGQSA-N 0 3 357.863 2.453 20 30 FEEDHN N#Cc1ccc(NC(=O)CCN2CCNC(=O)CC23CCC3)cc1Cl ZINC000880170938 687009759 /nfs/dbraw/zinc/00/97/59/687009759.db2.gz MZEZQBYXKOPJPC-UHFFFAOYSA-N 0 3 360.845 2.285 20 30 FEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880716047 687077976 /nfs/dbraw/zinc/07/79/76/687077976.db2.gz NBOOIAHKSFTWIA-CYBMUJFWSA-N 0 3 352.385 2.411 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(F)cc1Br)C2 ZINC000884096983 687788186 /nfs/dbraw/zinc/78/81/86/687788186.db2.gz PRKFAPOZSRFNHI-BGMSHATGSA-N 0 3 366.234 2.344 20 30 FEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCO[C@H](c3ccccc3Cl)C1)C2 ZINC000884124943 687795140 /nfs/dbraw/zinc/79/51/40/687795140.db2.gz LQXAFODLCFSXNE-XQCDLMLLSA-N 0 3 359.857 2.379 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCO[C@H](c3ccccc3Cl)C1)C2 ZINC000884124941 687795368 /nfs/dbraw/zinc/79/53/68/687795368.db2.gz LQXAFODLCFSXNE-NKCCXGTCSA-N 0 3 359.857 2.379 20 30 FEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H]1CCN(c3cccc(Cl)c3)C1)C2 ZINC000884232412 687825916 /nfs/dbraw/zinc/82/59/16/687825916.db2.gz QMNMOHARPWTPGG-PPKXHPOVSA-N 0 3 358.873 2.174 20 30 FEEDHN N#CC1(C[C@H](O)CN2CCC(Oc3cncc(Cl)n3)CC2)CCC1 ZINC000886144558 688207108 /nfs/dbraw/zinc/20/71/08/688207108.db2.gz BBLCZVQTZRBPCI-ZDUSSCGKSA-N 0 3 350.850 2.418 20 30 FEEDHN C#CCN1CCC[C@H]([NH2+]Cc2cc(Br)c([O-])c(OC)c2)C1 ZINC000886212880 688214413 /nfs/dbraw/zinc/21/44/13/688214413.db2.gz HLLZBKFERXUUSD-ZDUSSCGKSA-N 0 3 353.260 2.351 20 30 FEEDHN C#CCN(C(=O)c1cnc(Br)c(OC)c1)C1CCN(C)CC1 ZINC000886577559 688279074 /nfs/dbraw/zinc/27/90/74/688279074.db2.gz NPHQJSZIBDLFFS-UHFFFAOYSA-N 0 3 366.259 2.022 20 30 FEEDHN C#CCN(C(=O)c1csc(Nc2ccccn2)n1)C1CCN(C)CC1 ZINC000886581492 688279578 /nfs/dbraw/zinc/27/95/78/688279578.db2.gz ZANFXOWGZLMRTL-UHFFFAOYSA-N 0 3 355.467 2.451 20 30 FEEDHN C#CCC1(NCC(=O)Nc2sc(C)cc2C(=O)OCC)CCOCC1 ZINC000887123197 688370064 /nfs/dbraw/zinc/37/00/64/688370064.db2.gz DVNKCDKRTOTMJH-UHFFFAOYSA-N 0 3 364.467 2.334 20 30 FEEDHN CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@H]3CCCN([O-])C3=O)C2)CC1 ZINC000895196296 689675326 /nfs/dbraw/zinc/67/53/26/689675326.db2.gz JZOKSPXGXVGHAP-AWEZNQCLSA-N 0 3 353.463 2.136 20 30 FEEDHN CSC1(CNCCS(=O)(=O)c2ccc(C#N)cn2)CCCCC1 ZINC000905481393 691124126 /nfs/dbraw/zinc/12/41/26/691124126.db2.gz MVBZZLBXCXUEOV-UHFFFAOYSA-N 0 3 353.513 2.382 20 30 FEEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@]2(C)C1 ZINC000907563198 691519689 /nfs/dbraw/zinc/51/96/89/691519689.db2.gz BOCBYZUGGFCRPF-DOMZBBRYSA-N 0 3 373.400 2.149 20 30 FEEDHN